#DEFINITION	Reference Metabolome for Houttuynia cordata
#IDENTTFIER	RefMeta-Houttuynia cordata.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Houttuynia cordata
#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 Houttuynia cordata 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	989.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27121	0.9
83.01402	0.5
93.03468	0.3
107.01402	1.4
108.02202	0.6
109.02977	0.6
119.05015	0.2
121.03011	0.9
135.00883	0.5
148.01689	0.7
149.02420	0.4
151.00394	5.7
152.00859	0.3
159.04543	0.2
163.00407	1.3
163.03957	0.3
164.01111	0.3
169.01421	0.5
173.04596	0.2
178.99870	3.8
183.04565	0.2
185.81165	0.2
190.02969	0.2
191.00003	0.3
191.05594	0.3
192.00598	0.3
211.04051	0.6
215.03473	0.3
216.04228	0.3
226.02754	0.8
227.03491	1.4
229.05034	0.5
243.02983	5.0
244.03485	0.5
245.04510	0.7
254.02322	1.3
255.02989	14.1
256.03391	1.4
257.04520	0.4
271.02478	32.9
272.02914	3.0
273.04068	0.9
283.02435	0.6
299.01959	0.9
300.02765	65.8
301.03479	27.6
302.03806	1.9
343.04584	0.5
436.71646	0.2
447.09280	0.9
474.65158	0.2
609.14777	100.0
610.15112	16.5
929.91083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54463	100.0
165.11490	38.3
215.30823	39.0
249.06720	48.9
267.63406	37.8
311.36771	42.7
408.58701	41.0
479.16425	46.6
741.68085	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.3
71.01380	0.9
74.92503	0.2
81.03481	0.4
83.01409	0.3
83.05029	0.5
85.02962	2.2
87.00905	0.5
93.03468	6.8
93.81873	0.2
105.03512	0.2
107.01412	0.9
107.05051	0.3
109.02982	0.7
111.04553	1.6
113.02480	0.2
121.02962	0.6
125.02451	0.3
127.03986	0.6
133.02966	2.0
134.03691	0.9
135.04550	17.5
136.04892	0.7
137.02454	1.7
147.01001	0.2
149.02507	0.3
151.00381	3.9
155.03485	1.0
161.02454	0.7
164.01233	0.2
165.01950	0.4
171.02922	0.2
173.04570	27.2
174.04904	1.6
175.00391	0.5
177.01953	0.4
179.00043	1.0
179.03517	15.4
180.03871	0.9
185.06009	0.2
187.03906	0.3
191.05638	16.3
192.05981	0.7
193.05107	0.3
199.04007	0.9
215.03558	0.6
226.02698	0.4
227.03418	1.2
229.04968	0.2
243.02951	1.8
254.02069	0.4
255.02957	1.2
271.02472	27.5
272.02878	2.1
273.04016	0.2
285.03995	0.5
299.01990	56.2
300.02554	10.1
301.03537	26.4
302.03860	2.1
313.03546	0.6
329.59076	0.2
342.03864	0.2
343.04599	0.9
351.07114	0.6
352.07571	0.2
353.08792	24.4
354.09058	2.5
446.43085	0.2
462.08044	18.4
463.08746	12.8
464.09161	1.3
518.53265	0.2
625.14240	100.0
626.14600	16.8
627.14520	0.6
738.61517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	1.6
69.71320	0.8
71.01386	21.2
71.71156	1.0
71.71558	0.9
72.99297	1.4
73.02941	2.1
75.00879	0.8
77.37918	0.7
78.95918	0.9
81.03467	1.2
83.01384	2.7
83.05027	1.7
85.02966	7.1
87.00885	1.7
88.98823	1.4
89.02452	10.2
90.08622	0.7
91.31734	0.8
93.03452	2.3
95.01383	2.6
96.95961	0.7
101.02452	11.6
102.24274	0.8
109.02966	1.8
113.02453	9.5
114.00748	0.8
114.02677	0.9
116.88187	0.7
116.92854	2.4
119.03533	2.9
121.02943	0.9
124.35058	0.7
125.02440	1.9
127.16859	0.7
133.02946	1.5
134.03734	3.2
135.04518	1.6
136.01703	0.9
137.02454	1.5
143.03531	1.4
145.02936	2.0
146.03772	6.9
147.04530	4.0
151.04077	1.7
158.03784	1.1
159.04549	10.5
160.01671	0.9
160.05321	6.2
161.02382	2.4
161.06046	1.2
162.07013	0.8
163.11269	1.6
165.12900	1.0
172.05347	6.1
173.04607	2.0
173.06070	14.2
174.03177	1.7
174.06784	3.0
175.04013	3.2
179.03520	1.2
185.06116	1.3
186.06793	2.4
187.04010	12.0
187.07668	1.8
188.04668	1.1
189.05536	1.0
191.05602	3.7
199.07625	0.9
201.05600	12.4
202.06374	47.7
203.06776	3.6
209.11852	17.6
210.12192	1.3
211.13387	9.7
220.07506	1.1
227.12862	0.9
231.13791	1.0
253.09509	1.5
255.14084	1.4
257.15399	1.4
283.13406	46.2
284.13812	4.6
285.14923	5.8
286.15189	0.8
297.14908	1.4
299.16635	4.7
301.14478	13.9
302.14890	1.4
309.14987	11.5
310.15314	1.3
315.15878	2.4
325.14417	1.1
327.16025	34.2
328.16431	4.1
345.17123	12.5
346.17407	1.9
382.12793	1.3
406.72308	0.8
507.22409	23.4
508.22528	3.1
525.23358	8.0
526.23895	1.5
531.11078	0.8
632.46954	0.9
672.66846	0.9
743.31177	2.6
744.33557	1.0
750.02032	0.9
761.32745	34.1
762.32709	6.6
791.39087	1.2
953.43835	9.4
954.44952	2.8
971.45294	100.0
972.45636	34.7
972.65759	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	970.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
71.70643	0.6
82.02985	0.8
82.06637	0.4
83.01407	3.8
84.04574	1.9
84.08183	1.3
85.02978	0.5
93.03475	0.4
94.02993	1.3
100.04059	2.2
107.01408	7.8
109.02963	0.6
110.06139	6.8
111.00875	0.4
112.04010	0.7
118.61454	0.3
124.01691	1.2
125.02480	4.0
126.94063	0.4
128.07205	11.0
133.02971	0.6
135.04581	0.7
151.00398	30.7
152.01212	6.2
153.01952	3.5
153.12889	1.7
161.02467	5.1
162.03261	3.9
163.00343	0.5
163.04053	0.9
169.01465	7.5
169.15950	1.7
173.02496	0.5
173.04501	0.6
174.03232	0.8
175.03972	0.4
178.99886	33.9
179.14439	5.4
180.00247	1.8
181.01552	0.4
181.15962	0.6
187.03944	0.5
188.01225	0.6
189.01955	1.3
190.02705	1.1
191.03508	0.6
191.05585	1.3
194.15582	0.8
195.17537	0.5
196.17093	13.1
197.17467	0.9
199.04111	0.4
200.04913	0.4
203.03468	0.7
204.04189	0.5
209.11908	0.4
220.17073	1.5
228.04201	0.5
238.21765	12.2
239.22127	1.3
240.04117	0.5
252.04263	0.5
256.03854	0.4
264.19687	5.5
265.20139	0.6
268.03934	0.4
271.17111	1.0
271.47867	0.4
279.03091	1.0
280.03729	1.4
281.04504	2.1
282.20770	10.9
283.21140	0.8
287.16660	1.1
295.02484	1.3
296.03223	5.0
297.04007	2.3
299.01917	1.2
299.16751	1.0
308.18701	7.7
315.16016	4.7
316.16809	4.0
317.17572	2.9
324.02771	15.7
324.99738	0.7
325.03491	9.1
325.14404	0.6
326.03864	1.0
326.19742	37.4
327.16245	0.7
327.20044	3.4
337.03485	1.1
338.04169	0.8
343.04474	0.4
343.15543	1.1
345.17130	4.8
350.71481	0.4
353.14130	1.0
359.82700	0.4
371.14755	0.6
433.16595	0.5
435.18375	0.6
450.17459	0.5
451.17667	5.7
452.17868	0.6
469.18576	1.0
479.17087	8.5
480.17401	0.8
486.10522	0.4
497.18176	4.1
498.18488	0.8
517.20752	1.2
643.24103	100.0
644.24445	19.5
644.35522	0.7
896.60272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86243	0.1
70.56805	0.6
74.22463	0.2
83.01398	0.6
85.02974	0.9
87.00928	0.2
93.03451	0.9
94.03795	0.1
96.96037	0.7
105.64082	0.1
107.01405	1.5
108.02224	0.6
109.02985	0.9
121.02988	1.1
124.01695	0.2
125.02454	0.8
127.03982	0.3
133.02962	0.2
135.00865	0.4
135.04549	0.3
147.00888	0.2
148.01701	0.7
149.02505	0.2
151.00386	7.6
152.00832	0.2
153.01945	0.5
159.04558	0.3
161.02487	0.4
163.00369	1.4
163.04016	0.3
164.01108	0.3
169.01425	0.6
173.04529	0.5
175.04033	0.4
177.01930	0.2
178.99875	3.9
180.00223	0.2
187.04155	0.2
191.05621	12.1
192.00662	0.2
192.05956	0.5
193.01367	0.2
199.04037	0.4
201.05519	0.3
203.03571	0.2
211.04074	0.4
213.01976	0.2
216.04338	0.3
225.67162	0.1
226.02722	0.8
227.03528	1.0
229.04948	0.2
242.97360	0.2
243.02977	5.1
244.03473	0.7
245.04439	0.6
254.02255	1.5
255.02974	15.8
256.03305	1.4
271.02466	33.6
272.02884	3.6
273.03906	1.0
283.02545	0.6
299.01990	1.2
300.02759	70.8
301.03433	26.3
302.03870	1.8
337.09241	2.3
338.09616	0.4
343.04535	0.8
355.76669	0.2
463.08887	1.1
563.14124	0.3
625.14221	100.0
626.14587	18.4
771.17151	0.3
908.30096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	2.8
68.06590	0.4
69.03454	0.8
71.01387	2.5
71.71518	0.6
72.09088	0.4
80.70774	0.4
81.03470	0.8
83.05048	0.6
85.02953	3.3
87.00894	1.2
93.03468	19.7
94.03779	1.0
95.05058	0.4
99.04529	0.4
99.67253	0.4
105.11356	0.5
107.05061	0.6
109.02943	1.0
111.00892	0.8
111.04537	4.5
121.02952	0.6
127.04016	1.4
133.02992	4.0
134.03802	2.2
135.04544	57.6
136.04892	2.6
137.02467	5.7
145.96681	0.4
151.00421	0.6
155.03514	5.3
156.03951	0.5
161.02470	4.3
171.02971	0.4
171.80550	0.4
173.04570	100.0
174.04900	5.3
177.02058	1.0
179.03517	62.2
180.03851	3.4
191.05624	36.9
192.06007	1.5
203.03494	4.3
223.42940	0.4
255.02879	1.0
255.06638	0.6
271.02481	1.6
299.05621	2.4
300.02921	1.8
301.03418	1.8
302.03629	0.8
317.06726	3.0
335.07672	1.2
351.07220	2.7
352.07776	1.0
353.08789	83.7
354.09122	6.5
421.00369	0.4
447.09409	2.0
448.09766	1.2
449.09818	0.5
515.11932	66.3
516.12231	10.4
540.54608	0.4
637.11841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.3
69.03458	0.1
71.01385	0.5
72.99328	0.0
73.02954	0.1
81.03464	0.2
81.80151	0.0
83.01396	0.1
83.05035	0.2
85.02960	6.5
86.03302	0.2
87.00887	1.4
88.01183	0.0
93.03470	2.3
94.03809	0.1
99.00897	0.1
99.04508	0.2
106.74048	0.0
107.01379	0.1
108.02205	0.1
109.02981	0.6
110.32928	0.1
111.00908	0.1
111.04534	0.8
113.02453	0.1
121.02938	0.1
125.02490	0.1
127.04028	1.8
128.04343	0.1
133.02980	1.0
135.04550	0.8
137.02472	0.2
143.03450	0.1
147.00983	0.1
149.02489	0.1
151.00391	0.3
153.01956	0.1
155.03525	0.2
161.02463	2.6
162.02791	0.1
165.02017	0.1
171.03046	0.4
173.03085	0.1
173.04565	1.3
177.01944	0.1
179.03510	0.7
187.03967	0.1
191.05629	100.0
192.05963	4.1
199.04010	0.1
223.07413	0.1
227.03511	0.1
237.05568	0.1
243.03014	0.1
255.02950	0.1
267.06577	0.1
271.02460	1.9
272.02939	0.2
293.04587	0.1
295.06036	0.1
297.04224	0.1
299.01981	3.1
300.02524	0.8
301.03534	2.6
302.03885	0.4
305.04178	0.0
311.05667	0.1
313.03253	0.1
322.04016	0.0
339.05118	0.8
340.05447	0.3
351.07288	0.1
352.07397	0.1
353.08798	24.1
354.09131	2.4
369.43240	0.1
392.95776	0.1
447.09689	0.2
462.08020	0.8
463.08582	0.5
464.08942	0.1
513.10339	1.0
514.10693	0.6
515.10980	0.1
609.14758	3.9
610.15045	1.1
611.15308	0.3
627.56409	0.1
700.24249	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46620	1.2
74.49192	0.6
76.90762	0.5
78.66315	0.5
83.01424	0.7
100.69308	0.6
107.01414	1.5
108.97761	0.5
109.03001	1.6
116.16803	0.6
120.99680	1.2
121.02968	1.4
133.02986	1.5
139.04126	0.7
151.00388	9.2
163.00368	1.6
169.01584	0.6
177.02048	0.6
178.99881	4.3
199.03941	0.6
227.03510	1.7
243.02988	3.9
245.04474	0.9
254.02100	1.1
255.02997	11.2
256.03317	1.3
271.02466	20.5
272.02979	2.1
278.87576	0.7
283.02502	1.5
299.01907	0.7
300.02759	53.1
301.03513	44.5
302.03854	3.8
413.98117	0.6
447.09351	100.0
448.09686	11.7
839.52271	0.6
916.55591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45674	33.7
71.01404	23.9
85.02970	10.7
89.02450	20.8
98.20465	13.1
101.02482	17.0
101.44810	9.1
114.41491	7.7
116.48902	9.0
119.03335	8.0
125.02447	13.1
131.72375	9.1
137.36456	7.7
172.32741	10.5
191.05614	12.9
209.11852	100.0
210.12187	51.6
211.12486	17.7
212.12625	8.7
227.12981	12.2
277.21738	49.2
278.22037	40.2
279.22385	12.8
360.99548	10.7
397.13364	21.9
398.13727	19.5
399.14093	22.9
400.14621	9.9
407.04999	10.0
415.14432	12.7
420.60266	9.5
750.18549	31.8
920.34778	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	946.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01400	51.6
78.95923	10.1
81.03461	8.2
85.02975	14.3
87.00892	15.8
89.02449	30.2
97.02991	11.0
98.32757	7.1
99.92614	14.3
101.02467	24.8
109.06598	54.1
110.06960	11.1
113.02447	16.3
116.92894	77.9
119.03451	10.5
125.02470	17.9
136.05333	8.0
145.91516	7.1
158.80913	7.8
163.11285	20.4
164.11606	11.5
178.49844	7.3
207.10272	100.0
208.10634	58.9
209.12019	44.5
210.12225	7.9
225.11385	52.1
226.11629	24.8
277.21671	61.2
278.22089	52.3
279.22354	21.0
379.12375	10.2
380.13147	10.2
397.13541	45.4
398.13748	21.8
399.14111	22.5
415.14557	11.5
416.14938	9.8
499.45139	8.1
885.47614	29.9
886.48157	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72138	6.2
71.01398	33.9
71.71252	9.2
71.71639	8.3
78.95941	11.1
87.53643	6.3
89.02464	28.4
97.03008	11.7
99.92596	9.2
101.02454	19.3
109.06608	23.6
110.06947	9.0
113.02455	13.0
116.92879	100.0
152.99593	7.8
163.11316	21.3
207.10301	56.2
208.10637	36.0
209.11868	16.1
225.11400	19.3
226.11658	20.8
277.21716	56.9
278.22061	39.3
279.22589	10.3
366.27948	7.0
379.12152	8.3
397.13870	34.2
398.13919	22.9
399.14050	19.5
403.93652	8.0
885.47766	20.7
886.48431	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72820	25.4
71.01390	19.5
77.40982	9.4
80.70203	7.9
89.02430	19.0
98.20362	12.0
101.02473	13.7
111.11430	6.9
113.02422	9.4
161.61456	6.7
180.22575	7.9
209.11861	100.0
210.12222	48.6
211.12369	12.9
227.12923	12.8
229.13811	7.0
234.91858	7.3
235.08186	8.7
277.21695	28.9
278.22031	22.3
292.30930	7.7
319.66714	7.7
397.13635	22.2
398.13754	15.8
399.14224	14.0
472.04956	8.4
622.87451	8.9
627.51251	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	931.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.6
65.03948	0.3
67.01897	2.5
68.60767	0.4
70.91499	0.3
71.01381	1.7
72.99310	0.5
81.03468	0.7
83.01386	0.8
83.05038	0.9
85.02954	4.2
87.00880	3.0
87.20510	0.4
93.03469	15.8
94.03773	0.8
97.06597	0.5
98.20627	0.9
99.04554	0.5
107.01409	1.8
108.02186	1.4
109.02965	9.4
110.03334	0.4
111.00854	0.5
111.04528	4.1
121.02972	2.2
125.02502	0.8
127.04029	1.1
133.02975	0.8
134.03761	12.3
135.04585	2.4
136.00699	0.7
136.01685	9.4
136.02724	0.5
137.02481	6.7
147.04523	0.4
148.01675	0.9
149.02443	0.5
151.00400	8.1
151.04037	4.2
152.00746	0.4
153.01987	0.5
155.03525	2.6
159.04512	1.7
162.03148	0.6
163.00346	1.8
169.01457	0.7
171.03096	0.5
172.05234	0.4
173.04573	33.9
174.03438	0.5
174.04884	2.0
174.06844	1.2
175.07709	0.4
177.01947	0.6
178.02727	1.2
178.99896	4.3
179.03365	0.4
180.00223	0.5
187.04042	1.1
187.07695	1.7
191.05630	49.5
192.00551	0.5
192.05972	2.2
195.03026	1.0
199.04033	1.0
200.04752	0.4
202.06374	1.2
203.10777	2.9
205.08690	0.7
211.04013	0.8
213.09259	2.4
216.04225	0.4
216.07925	0.5
219.10458	0.4
226.02716	0.8
227.03516	1.7
228.04010	0.5
229.08746	0.8
231.10266	10.0
233.08383	1.9
243.02982	6.0
244.03371	1.1
245.04498	0.5
249.11348	1.2
254.02208	1.8
255.03001	17.4
255.05716	0.8
256.03354	1.8
257.03662	0.5
257.08124	3.7
261.06174	0.7
271.02469	35.0
272.02908	6.4
273.03067	2.0
274.03323	0.7
275.09235	5.4
283.02408	1.0
284.02716	0.4
293.10312	21.4
294.10660	1.5
299.02069	0.9
300.02765	69.3
301.03421	42.1
302.03580	8.7
303.03879	3.2
304.04037	1.3
431.13571	1.2
437.14429	0.9
449.14471	7.7
450.14755	1.2
461.07184	0.7
463.08823	100.0
464.09140	18.8
465.09286	8.8
466.09644	6.1
466.15753	0.7
467.10144	3.9
467.15607	63.4
468.16003	7.9
479.07977	0.5
659.93201	0.5
955.48169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	1.4
68.99828	0.7
69.03458	1.0
71.01401	1.2
71.70455	0.6
81.03482	1.8
83.01397	4.3
83.05025	0.8
85.02954	5.3
87.00884	1.6
93.03471	10.0
95.01415	1.1
95.05049	2.3
97.02971	4.8
99.04549	0.6
105.03493	0.9
107.05033	1.9
108.02179	1.3
109.02974	19.9
110.03299	0.8
111.04550	1.5
117.03500	1.1
119.05045	0.8
121.02975	3.7
122.03781	1.2
123.04546	15.0
124.04900	0.9
125.02467	100.0
126.02811	3.7
127.02904	0.6
127.04026	1.7
131.05035	0.5
133.02963	7.9
134.03329	0.7
135.04549	18.3
136.04875	0.8
137.02466	25.3
138.02899	0.7
139.04047	3.5
143.05019	0.7
145.03018	1.1
146.03740	0.6
147.04552	0.8
149.02463	4.7
149.06099	0.6
150.03221	1.6
151.04027	14.1
152.04355	1.0
153.01926	0.5
157.06596	0.5
159.04553	3.0
160.05299	1.6
161.02470	33.3
161.06073	4.1
162.03166	2.8
163.00409	2.3
163.04028	4.6
164.01170	4.5
165.01950	5.8
167.03554	2.0
173.04588	20.3
173.05983	1.1
174.03305	1.0
174.04915	1.3
175.04025	11.3
175.07695	1.8
176.04381	0.9
177.01962	10.2
177.05579	0.9
178.02522	1.1
179.03522	17.6
180.03860	0.7
183.04538	0.5
185.06091	1.2
187.04041	8.9
188.04785	3.0
189.02026	0.8
189.05544	1.4
190.02600	0.5
191.05630	52.3
192.05951	2.6
193.04999	0.7
196.05348	0.4
199.03972	1.3
199.07669	0.9
201.05553	1.7
202.06323	1.7
203.03581	1.7
203.07138	11.4
205.01459	2.9
205.05072	9.0
211.03990	0.9
212.04811	0.8
213.05583	1.6
214.02669	1.1
215.03525	2.5
215.05476	0.8
217.05026	2.0
219.02863	1.0
219.06702	0.7
221.08192	2.4
225.05704	0.6
227.03471	2.4
227.07043	2.5
228.04254	1.6
229.05057	4.0
230.05861	1.1
231.02977	1.4
231.06537	0.7
241.05043	0.7
243.03021	3.1
243.06619	1.2
244.03510	0.6
245.04552	8.4
245.08199	16.9
246.04851	0.9
246.08531	1.6
247.06233	1.6
253.05045	1.5
255.02982	10.4
255.06554	1.1
256.03720	5.1
257.04480	1.9
269.04605	3.1
270.04895	0.5
271.06146	1.5
273.04041	5.2
281.04568	4.3
282.01767	0.7
283.02524	2.4
284.03354	1.1
285.04117	3.6
287.05624	17.8
288.05917	1.1
289.07178	64.4
290.07495	6.4
297.04181	1.4
297.07590	0.7
299.05594	8.0
315.08737	0.9
321.07526	0.6
329.06607	1.3
331.08350	1.2
339.05029	0.8
339.08755	5.5
340.09247	0.5
351.07248	1.6
352.07401	1.4
353.08792	22.1
354.09155	2.0
381.09857	2.0
389.06699	0.8
407.07730	63.1
408.08026	7.4
409.08240	1.3
425.08792	70.6
426.09149	11.7
427.09158	1.1
435.07333	0.7
451.10345	20.7
452.10703	3.1
453.10815	0.6
533.14978	0.7
559.12292	3.4
577.13562	68.8
578.13824	13.2
579.14355	1.2
587.11951	1.0
593.15198	1.4
739.16626	1.7
919.29736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	0.5
65.20232	0.3
73.02929	0.2
83.01502	0.3
93.03454	0.5
101.52912	0.3
107.01395	1.4
108.02166	0.4
109.02956	1.0
110.51490	0.2
121.02988	1.9
124.23417	0.3
135.00879	0.4
137.02470	0.5
137.60258	0.3
148.01666	0.6
149.02432	0.3
151.00394	7.2
152.00711	0.4
163.00391	2.0
169.01428	0.6
169.07161	0.3
173.04564	1.1
178.99887	3.8
183.04596	0.4
187.04089	0.4
191.05656	1.3
201.05507	0.5
206.35852	0.3
211.04097	0.5
226.02864	0.4
227.03522	1.1
229.04930	0.6
239.03590	0.5
243.02980	2.9
245.04546	1.2
248.42647	0.3
254.02185	0.8
255.02985	10.3
256.03445	1.1
271.02463	20.5
272.02875	2.4
273.03906	0.8
283.02463	0.8
299.02060	0.8
300.02756	50.2
301.03506	42.9
302.03870	3.9
313.75519	0.3
423.81152	0.3
447.09338	100.0
448.09659	14.5
449.09982	0.5
481.16953	0.4
482.17441	0.3
483.15176	0.3
483.22079	0.4
958.16113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.4
66.56288	0.2
67.01889	0.2
69.06580	0.2
71.01390	0.4
71.69974	0.2
73.02944	0.3
77.39205	0.2
83.01400	0.6
93.03467	1.3
93.93446	0.2
95.01401	0.2
95.05041	0.8
97.02951	1.0
107.01411	1.1
108.02190	1.1
109.02997	1.2
111.04572	0.4
111.82433	0.2
112.36491	0.2
119.05085	0.2
121.02987	0.8
124.47299	0.2
125.02470	0.7
133.02995	0.7
134.03780	0.5
135.00888	0.4
135.04550	7.5
137.02480	0.8
139.04036	3.1
140.04410	0.3
148.01694	0.8
150.99179	0.3
151.00398	4.4
152.01077	0.3
153.01958	2.5
155.03542	0.2
161.02495	2.0
163.00395	0.7
164.01125	0.4
165.01881	1.1
169.01468	1.6
173.04578	0.6
175.04002	0.2
178.99930	2.7
179.03520	5.9
180.03882	0.4
183.03000	4.7
183.04549	0.4
191.05609	0.8
192.00601	0.3
199.04036	0.4
202.02563	0.2
205.05077	0.2
211.03897	0.3
213.02040	0.2
214.61786	0.2
215.03412	0.3
216.04352	0.6
220.00063	0.2
225.05579	0.2
226.02675	0.8
227.03543	1.5
228.03905	0.3
229.04997	0.3
243.02991	7.0
244.03520	0.7
245.04552	0.3
249.03952	0.3
249.19023	0.2
254.02228	2.0
255.02988	17.8
256.03323	1.8
271.02472	41.8
272.02908	4.6
273.04077	0.6
285.04080	0.3
299.02008	2.0
300.02768	91.9
301.03275	13.1
302.03708	0.6
317.03131	0.3
317.59070	0.2
319.04669	1.5
335.03812	0.5
335.07739	5.6
336.08060	0.6
339.05130	0.3
445.07751	0.3
463.08826	0.3
595.13086	100.0
596.13434	18.1
597.13483	1.1
611.13715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27994	17.7
70.92825	49.6
88.98854	17.6
102.09790	17.2
123.10686	19.3
126.67326	17.0
166.36867	18.9
209.11880	100.0
210.12212	60.0
211.12340	26.3
227.12958	18.5
255.23312	49.3
256.23618	33.2
257.23865	20.4
379.12570	21.0
397.13501	20.9
399.14114	31.4
745.59644	21.0
782.34729	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87624	9.3
69.70818	70.1
71.01411	21.7
78.95933	12.5
85.02956	18.3
87.00919	13.1
88.98842	14.1
89.02457	15.5
93.03474	33.9
96.96015	15.5
101.02473	16.1
109.02944	10.1
111.04520	14.2
125.02475	21.0
126.03572	9.4
135.04544	22.4
137.02475	19.8
151.00267	11.6
161.02490	21.5
173.04581	35.6
175.03975	9.7
177.01978	12.0
179.03647	11.7
191.05608	100.0
192.05916	11.4
209.11812	49.8
249.17380	9.5
770.10815	10.8
930.44324	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	925.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	1.0
70.59173	0.2
83.01398	0.8
91.01906	0.2
93.03506	0.4
98.19859	0.5
99.53404	0.2
107.01395	2.0
108.02175	0.6
109.02968	1.4
113.88383	0.2
119.01360	0.2
121.02967	2.2
125.02475	0.4
135.00911	0.4
137.02458	0.2
148.01657	0.7
149.02509	0.2
151.00392	9.4
152.00826	0.4
158.03683	0.2
159.04523	0.2
161.02391	0.3
163.00385	2.5
164.01161	0.4
169.01414	0.5
173.06064	0.3
175.04060	0.3
178.99896	5.0
179.01480	0.3
183.04581	0.3
184.51112	0.2
187.04010	0.5
190.99832	0.2
192.00787	0.2
193.01393	0.2
199.03984	0.6
201.05531	0.5
211.04041	1.1
212.04697	0.2
213.01903	0.2
214.02702	0.3
215.03496	0.5
216.04213	0.3
226.02718	0.7
227.03516	2.0
228.04153	0.3
229.05058	0.6
230.02284	0.3
239.03340	0.2
241.01492	0.2
242.02304	0.3
243.02988	4.9
244.03444	0.6
245.04556	1.3
252.17714	0.2
254.02211	0.7
255.02968	13.7
256.03372	1.4
257.04510	0.5
266.02057	0.3
270.01761	0.5
271.02466	28.1
272.02927	2.8
273.03934	1.0
283.02402	1.5
284.03015	0.4
285.03995	0.4
299.01981	1.5
300.02756	58.5
301.03488	46.5
302.03842	4.2
313.03299	0.3
314.04456	1.3
315.05087	5.3
316.05325	0.5
445.07654	0.5
446.08334	0.4
447.09329	100.0
448.09659	13.8
449.09857	0.6
461.07217	0.4
477.10358	3.3
478.10757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	59.4
89.02470	37.6
98.20728	63.0
103.73353	25.3
115.42419	28.2
116.92886	100.0
131.07181	47.3
136.71300	32.7
161.69444	31.6
169.95491	31.1
207.10304	65.3
208.10715	46.6
229.94231	36.3
255.23247	58.2
256.23572	48.1
316.98499	32.3
397.13751	81.0
864.50269	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	10.9
71.01378	1.3
71.03418	2.7
71.06598	1.3
78.74081	0.9
83.01382	9.4
85.02954	1.2
93.03476	3.7
95.01391	2.2
107.01409	22.5
108.02207	1.6
109.02984	8.5
111.00861	1.2
121.02972	6.4
123.00920	2.0
124.01698	7.0
125.02483	7.1
131.01396	1.3
135.04543	2.7
137.02452	3.0
145.02977	1.3
147.00912	1.9
147.04585	1.3
148.01715	2.6
149.02426	7.2
151.00397	76.7
152.01187	18.6
153.01933	3.5
159.04562	1.4
161.02467	3.8
163.00378	4.7
163.04092	1.3
164.07216	2.2
165.01956	2.2
167.03542	1.3
169.01459	13.3
173.02467	1.6
173.04634	1.6
175.00414	3.5
175.04015	4.8
177.01958	1.4
178.99878	94.8
180.00232	4.8
181.01323	1.1
183.04532	1.2
187.04033	1.4
189.01883	1.8
190.99850	2.7
191.03622	1.9
191.05614	5.7
192.00674	7.2
193.01419	16.3
194.01906	1.3
198.03294	3.4
199.03934	2.7
201.01947	1.3
203.03555	12.3
206.08261	4.1
211.03947	3.6
213.01924	2.4
214.02785	2.1
215.03513	4.5
225.01828	1.2
226.02719	5.9
227.03506	15.7
228.04129	2.0
229.01459	1.6
229.04927	1.5
231.02847	1.9
237.01964	5.2
239.03488	4.3
241.01480	3.1
241.04959	1.6
242.02229	3.1
243.02937	3.5
244.03578	2.0
245.04352	1.6
253.01456	6.5
254.02148	11.0
255.02969	20.5
256.03549	3.4
258.01709	1.3
259.02328	1.3
265.05029	1.3
266.02124	1.4
267.03003	5.7
268.03644	1.2
269.00916	14.0
270.01505	3.3
271.02493	28.9
272.02863	2.2
278.99579	1.2
279.03024	1.3
281.00983	5.4
282.01828	1.9
283.02405	5.0
284.02988	1.4
285.00870	1.1
293.04614	2.0
294.01553	1.1
295.02521	4.5
296.03195	2.9
297.00510	1.4
297.03873	2.7
298.01184	1.1
299.01987	9.7
300.02548	3.0
303.03049	1.3
311.01831	3.4
312.02637	1.4
317.04596	2.5
321.04086	1.6
322.04996	1.0
323.01941	1.5
332.03003	1.4
333.04187	3.1
335.05594	1.4
337.03778	1.1
339.01465	1.2
341.02814	6.7
345.03986	1.7
346.04855	1.8
347.05756	2.8
361.03381	1.5
363.04968	2.7
365.02942	2.7
373.03317	1.4
375.05124	4.2
377.02805	2.3
389.03088	8.9
390.03500	1.6
391.04538	3.2
393.05988	1.5
402.70093	1.5
403.04800	2.3
404.05453	1.8
405.06332	13.5
406.03033	2.7
407.04083	14.7
408.04681	1.1
409.05679	4.1
418.03308	2.3
419.04248	7.9
420.04681	3.3
421.05569	9.3
431.03934	2.3
433.02066	11.9
434.02365	2.2
447.03317	2.5
448.04031	1.5
449.05099	4.2
451.03033	5.4
569.09204	2.0
583.05194	4.6
584.05457	1.3
601.06329	25.6
602.06738	5.9
762.12506	1.4
763.11865	74.6
764.12225	18.9
925.17035	100.0
926.17328	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	1.7
71.01393	26.4
72.99323	2.1
73.02955	3.4
75.00879	1.4
78.95911	1.3
80.02689	0.9
81.03459	2.8
83.01399	3.7
83.05032	2.6
85.02969	6.2
87.00881	5.5
89.02455	16.3
92.38678	1.0
94.72662	0.8
95.01434	1.6
97.02964	9.4
98.19855	2.4
99.00904	3.2
101.02462	18.0
107.05082	1.2
109.06613	29.7
110.06935	1.9
111.00861	1.2
111.04475	1.0
113.02459	10.1
116.92882	2.6
119.03510	5.4
121.06618	2.5
123.04571	1.0
125.02483	7.1
135.08214	4.0
136.05295	1.5
141.01921	2.1
142.02739	2.8
143.03537	2.7
149.04602	1.1
161.04651	4.0
161.09706	1.4
163.11308	19.7
164.11621	0.8
165.80096	0.9
179.05623	4.6
179.10886	1.1
181.12376	3.0
189.09216	3.1
207.10289	100.0
208.10628	6.6
209.11847	2.2
212.95779	0.9
217.07152	1.2
221.06638	3.0
225.11334	35.1
226.11638	1.7
235.08215	5.4
243.12555	0.9
255.23297	84.2
256.23615	7.1
263.07721	0.9
269.24817	1.2
287.07758	2.6
299.14966	1.3
300.01688	0.9
305.08820	2.0
323.10001	1.1
379.12457	11.5
397.13559	56.1
398.13794	4.7
415.14609	13.5
419.35138	1.3
442.01428	0.9
587.23566	2.7
605.24640	6.4
606.25171	1.3
623.25909	3.1
635.36646	2.3
653.37592	7.6
654.38123	2.1
804.72864	0.9
843.47882	2.6
844.48407	1.0
861.48907	74.3
862.33478	1.9
862.49323	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00342	0.3
71.52391	0.3
83.01408	0.3
85.02966	0.2
87.00905	0.1
91.01936	0.1
93.03468	0.4
107.01398	1.1
108.02187	0.3
109.02968	0.6
121.02955	0.4
123.04601	0.2
125.02470	0.5
133.02979	0.2
135.00909	0.3
135.04604	0.2
137.02429	0.3
148.01709	0.4
149.02487	0.2
149.99602	0.3
151.00395	3.9
152.00745	0.1
153.01945	0.4
159.04387	0.1
161.02460	0.3
163.00385	1.0
164.01059	0.2
168.00615	0.4
169.01511	0.3
172.05373	0.4
173.04575	0.8
174.03157	0.2
174.04846	0.2
175.03915	0.2
177.01917	0.2
178.99890	2.1
183.04514	0.2
187.03992	0.2
187.07664	1.0
188.04805	0.4
188.08005	0.3
189.01913	0.5
190.02687	0.4
190.99850	0.3
191.03610	0.3
191.05634	2.1
192.00589	0.2
192.06007	0.5
193.01328	0.2
193.06139	0.4
198.03296	0.3
199.03899	0.4
200.04749	0.2
201.02042	0.2
201.05502	0.2
202.06355	0.5
203.03621	0.3
211.03998	0.3
213.09227	0.6
214.09630	0.3
215.03548	0.2
215.07141	0.2
216.00812	0.1
216.04297	0.4
217.01465	0.8
219.02911	0.2
226.02747	3.1
227.03427	1.4
228.04276	0.3
231.02884	0.2
231.06801	0.2
231.10219	0.5
232.10670	0.2
243.02991	7.3
244.03429	0.6
245.04559	0.3
254.02228	3.3
255.02972	6.0
256.03415	0.8
257.08237	0.6
259.08881	0.2
264.24606	0.2
271.02478	36.8
272.02887	4.1
273.03592	0.4
275.09149	1.0
276.09622	0.6
277.10446	0.2
283.02438	0.2
299.01920	0.3
300.02777	51.0
301.03424	15.8
301.08405	0.2
302.03867	1.6
313.03445	0.2
318.76627	0.2
322.22467	0.1
341.06641	1.5
343.04581	0.7
449.14542	0.8
450.14905	1.0
451.09769	2.7
451.15668	0.7
452.09915	0.5
462.07913	0.2
463.08817	100.0
464.09155	12.3
465.09506	0.8
711.40546	0.2
884.60248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00342	0.7
67.01885	3.4
69.03466	1.0
71.01377	2.0
71.48769	0.4
72.99310	2.2
78.95930	1.1
81.03452	1.0
83.01392	0.9
83.05039	1.2
85.02969	3.5
87.00885	3.9
93.03474	23.2
94.03814	0.6
96.96970	0.4
97.06609	2.3
99.00905	0.7
107.01421	2.3
107.05061	0.6
108.02204	2.9
109.02975	16.7
110.03315	0.7
111.00877	0.5
111.04523	5.0
121.02991	3.7
123.04530	1.5
124.86112	0.4
125.02460	0.8
127.04020	1.0
129.01967	0.9
133.02975	3.3
134.03764	69.5
135.00938	0.4
135.04590	10.0
135.78938	0.4
136.01689	8.7
137.02473	30.9
138.02768	0.9
139.04021	0.6
147.04582	0.4
148.01686	1.0
149.02419	0.9
151.00400	11.0
151.04025	9.5
152.04359	0.4
153.01961	0.7
154.02748	2.8
155.03522	4.3
159.04483	0.7
161.02483	1.2
162.03273	0.6
163.00412	2.9
164.01219	0.5
169.01465	1.1
171.03018	1.2
173.04579	53.5
174.04951	1.8
175.04059	0.5
177.01955	5.6
178.02736	8.4
178.99904	5.3
179.03496	5.2
181.97685	0.4
187.04028	0.7
187.07672	1.5
187.34039	0.4
189.01981	5.8
190.02684	1.6
191.03702	1.4
191.05623	29.1
192.05998	1.4
195.03003	1.5
196.03673	1.1
202.06322	0.8
203.03496	0.7
203.10881	0.7
205.08662	0.7
211.03970	0.7
213.09175	0.6
216.00630	0.7
217.01425	4.1
219.02991	1.6
226.02785	0.8
227.03537	1.9
229.05035	0.6
229.55309	0.4
231.02917	1.4
231.10266	24.2
232.05823	0.6
232.10596	1.8
233.06499	2.2
242.01859	0.4
243.02989	5.0
244.03546	0.7
245.04564	1.6
254.02213	1.0
255.02977	15.3
256.03397	1.3
257.08145	1.0
271.02475	31.4
272.02902	3.2
273.03842	1.3
275.09198	4.0
276.09555	0.5
283.02448	1.2
293.10321	27.4
294.10559	2.2
297.07745	0.6
299.01950	1.3
300.02768	60.3
301.03513	49.1
302.03870	4.4
341.06671	8.6
342.07144	0.9
346.85999	0.4
370.09167	3.0
402.90561	0.5
437.14642	1.5
439.62009	0.5
445.07822	2.3
447.09341	97.8
448.09665	13.3
449.08945	0.6
449.14478	3.8
450.15021	0.8
451.10336	13.7
452.10791	2.0
463.08609	1.1
467.15601	100.0
468.15964	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	915.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	0.6
71.70432	0.9
77.14744	0.5
81.03458	2.0
83.01398	5.1
85.02962	2.0
93.03458	4.8
94.26890	0.5
95.01385	0.6
95.05061	1.8
97.02969	3.3
101.02599	0.5
105.03465	0.5
107.05033	1.5
108.02147	1.0
109.02967	18.2
110.03320	0.7
111.04547	1.4
119.05045	34.3
120.05370	1.3
121.02975	3.8
122.03807	0.8
123.04547	12.6
124.04876	0.5
125.02465	100.0
126.02766	3.0
127.04089	0.9
131.05061	0.9
133.02954	3.9
133.50591	0.5
135.04555	2.4
136.01735	0.5
137.02467	24.8
138.03090	0.5
139.04012	2.9
145.02998	1.8
146.03758	1.4
147.04567	0.8
149.02464	5.1
150.03252	0.9
151.04016	13.3
155.03455	1.2
159.04575	2.9
160.05292	1.0
161.02463	29.1
161.06085	4.8
162.03268	2.6
163.00374	2.0
163.04030	44.8
164.01219	4.9
164.04305	2.7
165.01958	6.7
166.45345	0.5
167.03479	2.2
173.04579	2.5
173.05936	0.9
174.03178	0.6
174.06700	0.5
175.04015	9.8
175.07616	2.1
177.01953	6.4
177.05518	1.1
178.02721	0.9
179.03535	5.8
185.06055	1.3
187.04012	7.6
188.04784	3.3
189.05490	1.1
191.05629	24.2
192.05997	1.1
193.05032	0.7
199.04039	0.7
199.07642	0.9
201.05600	2.0
202.06319	1.4
203.03529	2.3
203.07159	9.5
204.07513	0.9
205.01413	3.0
205.05043	8.7
211.04103	1.5
212.04802	0.6
213.05579	1.2
215.03531	2.0
217.05025	1.8
219.03064	0.8
219.06592	0.7
221.08214	2.2
225.05508	0.7
227.03537	1.5
227.07208	2.2
228.04300	1.2
229.05066	3.6
231.02994	1.0
231.06567	0.8
243.02991	2.4
243.06609	0.8
245.04524	4.9
245.08180	18.1
246.08450	1.4
247.06122	1.7
253.05070	1.2
255.02982	8.9
256.03738	5.1
257.04489	2.2
259.05853	0.7
269.04541	2.3
271.06210	1.9
273.04037	4.7
281.04517	3.9
283.02509	2.2
283.05710	0.8
284.03076	0.9
285.04083	4.7
287.05603	14.3
288.05972	1.9
289.07181	64.5
290.07465	4.7
297.04126	1.3
299.05618	6.5
300.06375	0.7
315.08978	0.7
329.06500	1.2
337.09305	19.2
338.09656	1.6
339.08829	5.5
353.08865	0.6
357.09872	0.6
381.09848	2.0
389.06882	0.7
407.07721	61.7
408.08054	7.8
425.08789	65.6
426.09109	8.3
433.09323	0.6
451.10388	19.1
452.10635	3.5
559.12292	2.9
577.13550	68.8
578.13763	13.5
722.34589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	0.7
69.59837	2.1
69.60258	0.8
71.05026	3.1
83.01412	0.5
93.03461	0.5
95.05041	7.7
96.05374	0.4
97.02963	11.3
98.03333	0.3
107.01406	0.9
108.02209	1.1
109.02978	10.0
110.03313	0.4
115.04002	1.8
121.02967	0.7
124.01767	0.4
137.02441	0.7
139.04034	29.5
140.04381	1.3
148.01703	1.0
151.00404	4.0
153.01965	22.3
154.02280	0.6
161.02455	0.5
163.00417	0.7
165.01953	10.9
166.02353	0.7
178.99858	2.5
183.03006	49.1
184.03319	2.3
191.05621	1.0
210.11060	0.3
216.04437	0.4
226.02708	1.4
227.03491	1.9
243.02983	6.3
244.03447	0.8
254.02284	1.8
255.02988	18.7
256.03378	1.4
271.02469	44.0
272.02899	4.2
299.02182	2.0
300.02765	91.1
301.03262	13.5
302.03992	0.4
319.04599	16.9
320.04935	2.0
463.09064	0.3
467.15524	0.4
594.11938	0.5
595.13080	100.0
596.13379	18.8
622.13947	0.5
753.18823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	1.3
69.03442	1.3
71.01389	1.8
71.71404	0.6
74.92761	0.4
81.03448	0.9
83.05024	1.4
85.02956	8.6
85.46758	0.3
87.00886	6.7
93.02917	0.8
93.03474	10.3
99.04533	1.0
103.05342	0.4
107.01431	0.9
108.02180	1.3
109.02959	1.8
111.04533	4.7
127.04035	2.5
129.01961	0.8
130.04254	0.4
134.03738	0.5
135.04509	0.6
137.02444	1.5
146.03766	1.5
148.01614	0.5
149.06114	1.9
151.00388	3.1
151.07620	0.7
155.03528	3.5
158.03743	1.1
159.04578	3.3
159.08139	0.9
163.00407	0.6
171.02966	0.5
172.05313	5.6
173.04567	22.3
173.06079	6.5
174.03319	0.5
174.04921	1.1
174.06766	0.9
175.07646	1.5
178.99831	1.8
182.03760	0.8
183.04504	1.4
184.05261	0.9
185.06133	0.9
186.06865	0.5
187.04137	5.0
187.07664	49.0
188.08063	3.7
189.09222	0.5
191.05629	100.0
192.05960	4.0
193.06293	0.4
197.06131	1.1
198.06847	0.9
199.04025	1.1
200.04840	2.9
201.05594	8.1
201.09132	2.0
202.06372	19.0
203.06818	1.2
203.10831	2.3
204.04315	0.7
211.07570	1.8
213.09219	13.4
214.09592	1.0
215.07140	16.7
216.04402	0.4
216.07782	2.7
226.02687	0.4
227.03520	2.2
227.07117	0.6
228.04256	1.2
229.08690	9.9
230.09100	2.6
231.06763	6.7
231.10274	30.3
232.03796	1.0
232.06934	0.7
232.10634	2.3
243.03067	2.7
245.04565	0.5
247.09727	1.0
254.02278	0.5
255.02953	6.8
256.03391	0.8
257.08185	15.2
258.08426	1.1
271.02457	15.3
272.02921	1.8
273.03983	0.6
275.09244	62.1
276.09558	5.0
299.01901	0.9
300.02753	33.8
301.03455	15.6
302.03726	1.9
405.11853	2.7
449.14563	84.4
450.14877	11.6
463.08817	48.7
464.09134	7.4
465.09369	1.4
493.94809	0.5
694.91339	0.5
854.41675	0.5
888.00403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	0.8
71.52213	0.3
83.01388	0.7
85.02949	0.4
89.02473	0.3
93.03467	0.6
95.01417	0.3
99.26071	0.2
107.01389	2.3
108.02200	0.9
109.02944	1.1
114.49641	0.2
121.02975	1.2
121.70696	0.2
124.01633	0.4
125.02435	0.5
133.02939	1.4
134.03746	0.4
135.00882	0.4
135.04512	0.3
148.01688	1.0
149.02472	0.7
151.00395	8.6
152.00871	0.4
153.01984	0.3
159.04538	0.3
161.02446	0.9
163.00409	1.6
163.03998	0.3
164.01170	0.4
165.01830	0.3
169.01466	0.5
171.04472	0.3
173.02368	0.3
173.04689	0.4
175.03984	0.9
177.01952	0.3
178.99902	4.2
179.03487	0.4
185.05833	0.2
187.03990	0.4
191.04050	0.3
191.05606	1.9
198.03168	0.3
199.04019	1.1
200.04584	0.3
201.01897	0.5
203.03517	0.3
209.00677	0.3
211.03993	0.9
213.05602	0.2
214.02727	0.6
215.03401	0.4
216.04274	0.3
217.05052	0.4
226.02675	1.1
227.03400	1.8
229.05025	0.8
229.08730	0.9
239.03474	0.3
241.01453	1.9
241.03719	0.2
241.04846	0.3
242.01985	1.4
243.02965	5.9
244.03429	0.6
245.00995	1.1
245.04539	0.8
246.01279	0.4
254.02180	1.7
255.02983	14.0
256.03540	1.7
257.04556	0.4
270.01627	2.8
271.02460	33.1
272.02881	3.8
273.03778	0.6
283.02493	1.0
284.03268	21.8
285.04034	48.3
286.04404	4.5
297.04031	0.4
298.01285	1.3
299.02002	3.8
299.05249	0.4
300.02762	69.1
301.03482	32.6
301.07208	0.4
302.03879	2.4
325.04178	0.2
327.05148	0.5
343.04599	0.4
405.79553	0.3
436.42993	0.2
446.07797	0.3
447.09338	53.5
448.09662	7.0
461.07199	6.0
462.07510	3.3
463.08789	100.0
464.09152	12.4
551.80225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	2.0
71.70458	0.4
79.99380	0.3
82.38010	0.4
83.01384	1.5
91.01890	0.4
93.03445	0.9
107.01409	4.6
108.02206	1.8
109.02983	3.4
110.03323	0.4
121.02976	4.0
124.01746	0.4
125.02446	0.8
135.00877	1.1
145.02995	0.7
148.01662	1.0
149.02454	1.0
151.00401	19.8
152.00871	1.3
153.01930	0.5
159.04500	1.0
161.02498	0.8
163.00406	4.4
163.04059	0.5
164.01062	0.8
169.01411	1.5
171.04474	0.4
173.04572	0.5
173.06122	0.5
175.03970	0.6
177.01874	0.5
178.99889	10.9
180.00221	0.8
183.04500	0.8
185.02432	0.4
187.03958	0.9
189.05588	0.3
190.99925	0.5
191.05629	0.9
193.01427	0.4
199.03990	0.8
201.01904	0.4
201.05569	1.0
203.03558	0.5
211.04048	2.0
212.04659	0.4
213.01965	0.5
215.03458	1.0
216.04161	0.4
226.02661	1.2
226.46800	0.3
227.03494	2.5
228.04045	0.7
229.05070	1.1
239.03609	0.9
241.01482	2.6
242.01851	2.0
243.02977	8.9
244.03644	0.8
245.00955	1.4
245.04584	2.9
246.01265	0.6
254.02327	1.9
255.02979	25.4
256.03427	2.1
257.04239	0.4
266.02124	0.4
270.01715	2.7
271.02460	52.0
272.02847	7.6
273.03897	2.4
283.02466	3.6
298.01144	1.2
299.01971	6.4
300.02762	100.0
301.03513	98.8
302.03897	8.2
302.09137	0.4
303.04172	0.5
316.02292	1.0
317.02890	0.4
343.04550	0.4
419.67987	0.4
433.07895	0.9
445.07782	57.9
446.08148	9.0
447.09335	99.7
448.09662	13.0
449.09717	0.8
461.06833	4.6
462.07254	4.8
463.08624	26.9
464.09021	3.9
911.20972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02406	0.8
65.00314	0.9
70.86719	0.5
71.01386	0.7
81.03465	0.4
83.01377	1.0
85.02957	1.3
91.01897	0.5
93.03458	1.4
95.01361	0.8
99.89284	0.3
101.02453	0.3
107.01398	3.5
108.02187	23.9
109.02982	10.6
110.03277	0.4
113.02452	0.6
116.47835	0.3
117.03486	9.2
119.01443	0.3
119.05032	3.0
119.85673	0.3
121.02990	2.6
123.00900	0.9
125.02444	0.7
133.02950	0.5
135.00914	1.1
137.02444	0.5
145.02972	31.2
146.03302	1.2
147.04532	0.4
148.01680	0.7
149.02438	0.5
151.00380	11.1
152.01173	39.7
153.01978	12.1
154.02165	0.4
159.04442	0.7
161.02455	1.4
163.00385	3.2
163.04019	3.3
164.01118	0.6
165.01955	0.9
169.01416	0.8
174.03241	0.3
175.03923	0.5
177.01917	0.4
178.99870	6.1
183.04482	0.5
185.02428	0.4
186.03220	0.8
187.03984	0.7
189.01921	0.5
190.02713	0.4
190.99623	0.4
192.00763	0.6
193.01274	0.5
198.03159	0.4
199.03967	0.9
201.02039	0.4
201.05490	0.5
203.03519	0.4
211.04016	1.3
212.04787	0.3
213.01947	0.3
213.05524	0.7
214.02631	1.9
215.03442	0.9
216.04189	0.4
217.01349	0.5
226.02618	0.8
227.03580	2.2
227.07147	0.6
229.05016	0.7
241.01434	7.6
242.02165	2.8
243.02986	6.3
245.00922	5.2
245.04565	1.7
254.02235	1.4
255.02975	14.9
256.03339	1.2
258.01703	0.4
269.00800	0.6
270.01688	10.0
271.02457	38.7
272.02856	4.5
273.03983	1.1
280.72177	0.4
283.02432	1.3
287.01932	0.9
297.00357	0.8
298.01178	5.1
299.01971	14.7
300.02753	62.2
301.03488	47.5
302.03824	4.2
307.08203	1.1
315.01434	1.2
315.07187	15.2
316.07651	1.5
357.61569	0.4
379.85709	0.3
417.11929	0.7
433.07864	0.5
443.06244	0.9
445.07755	6.6
446.08160	0.9
447.09323	100.0
448.09610	13.5
461.11627	76.5
462.12119	8.7
463.08923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02468	1.0
65.00405	0.8
71.01422	0.5
71.03358	0.4
71.03701	0.8
74.67243	0.3
82.93424	0.3
83.01440	0.8
85.02991	0.4
89.02500	0.4
93.03531	0.7
95.01463	0.4
107.01423	1.6
108.02184	3.9
109.02981	3.3
117.03579	1.2
119.05113	0.4
121.03057	0.8
123.00944	0.6
125.02533	1.0
133.03052	0.7
135.01018	0.4
143.05104	0.7
145.02988	5.1
147.04578	0.5
149.02556	0.5
151.00401	6.8
152.01190	7.0
153.01984	2.4
158.03816	1.2
159.04453	0.5
161.02472	1.8
162.03026	0.3
163.00502	0.9
163.04161	1.0
164.01183	0.4
169.01489	0.7
170.03824	0.4
171.04565	0.6
172.01811	0.4
173.02567	0.4
173.04652	0.6
174.03285	0.6
175.04041	0.7
176.71002	0.3
177.02055	0.8
178.99879	3.7
183.04544	0.4
185.02562	0.4
186.03214	2.4
187.04051	0.8
189.01942	2.0
190.02791	0.6
191.05775	1.0
192.00813	0.4
198.03275	0.9
199.04071	1.9
201.02034	0.7
211.03923	0.4
214.02715	5.0
215.03366	2.3
216.00700	0.8
217.01425	0.6
218.02171	0.8
226.02751	0.7
227.03491	2.7
231.03038	0.5
241.01439	26.1
242.02164	10.1
242.04593	0.7
243.02943	6.2
245.00922	16.1
245.04602	0.7
246.01291	1.0
254.02319	0.5
255.02965	5.0
256.03430	0.4
269.04538	0.5
270.01694	38.3
271.02460	45.4
272.02841	3.7
272.05557	0.6
273.00415	1.1
274.01151	0.4
282.01639	1.0
283.02472	1.3
297.03754	0.7
298.01205	20.3
299.01981	52.5
300.02689	19.5
301.03519	16.8
302.03885	1.8
303.46088	0.4
311.02008	0.5
313.03720	0.6
315.01672	0.6
315.07318	2.2
317.03046	0.5
327.01712	0.4
341.02805	0.9
341.06702	0.8
415.06693	0.6
433.07550	1.3
443.06284	3.2
445.07773	42.3
446.08154	5.8
447.09348	14.0
448.09564	2.6
449.09579	0.7
451.10187	1.0
461.07028	100.0
462.07352	12.0
463.08853	2.5
464.08701	0.5
607.90363	0.4
633.03534	0.4
756.58118	0.4
791.19348	0.4
909.13934	0.5
910.17639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02468	1.0
65.00405	0.8
71.01422	0.5
71.03358	0.4
71.03701	0.8
74.67243	0.3
82.93424	0.3
83.01440	0.8
85.02991	0.4
89.02500	0.4
93.03531	0.7
95.01463	0.4
107.01423	1.6
108.02184	3.9
109.02981	3.3
117.03579	1.2
119.05113	0.4
121.03057	0.8
123.00944	0.6
125.02533	1.0
133.03052	0.7
135.01018	0.4
143.05104	0.7
145.02988	5.1
147.04578	0.5
149.02556	0.5
151.00401	6.8
152.01190	7.0
153.01984	2.4
158.03816	1.2
159.04453	0.5
161.02472	1.8
162.03026	0.3
163.00502	0.9
163.04161	1.0
164.01183	0.4
169.01489	0.7
170.03824	0.4
171.04565	0.6
172.01811	0.4
173.02567	0.4
173.04652	0.6
174.03285	0.6
175.04041	0.7
176.71002	0.3
177.02055	0.8
178.99879	3.7
183.04544	0.4
185.02562	0.4
186.03214	2.4
187.04051	0.8
189.01942	2.0
190.02791	0.6
191.05775	1.0
192.00813	0.4
198.03275	0.9
199.04071	1.9
201.02034	0.7
211.03923	0.4
214.02715	5.0
215.03366	2.3
216.00700	0.8
217.01425	0.6
218.02171	0.8
226.02751	0.7
227.03491	2.7
231.03038	0.5
241.01439	26.1
242.02164	10.1
242.04593	0.7
243.02943	6.2
245.00922	16.1
245.04602	0.7
246.01291	1.0
254.02319	0.5
255.02965	5.0
256.03430	0.4
269.04538	0.5
270.01694	38.3
271.02460	45.4
272.02841	3.7
272.05557	0.6
273.00415	1.1
274.01151	0.4
282.01639	1.0
283.02472	1.3
297.03754	0.7
298.01205	20.3
299.01981	52.5
300.02689	19.5
301.03519	16.8
302.03885	1.8
303.46088	0.4
311.02008	0.5
313.03720	0.6
315.01672	0.6
315.07318	2.2
317.03046	0.5
327.01712	0.4
341.02805	0.9
341.06702	0.8
415.06693	0.6
433.07550	1.3
443.06284	3.2
445.07773	42.3
446.08154	5.8
447.09348	14.0
448.09564	2.6
449.09579	0.7
451.10187	1.0
461.07028	100.0
462.07352	12.0
463.08853	2.5
464.08701	0.5
607.90363	0.4
633.03534	0.4
756.58118	0.4
791.19348	0.4
909.13934	0.5
910.17639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	7.9
71.70009	1.2
78.69836	0.9
81.03507	1.1
83.01403	1.4
83.05030	3.5
84.02201	0.9
85.02942	2.2
86.88081	0.8
87.00928	1.2
89.02457	6.8
93.03446	2.7
97.02943	1.9
101.02453	5.8
111.04564	1.0
113.02457	5.0
113.28069	0.9
119.03506	2.3
119.04955	1.1
121.03005	0.8
125.02455	3.7
134.03699	1.0
135.04559	1.8
137.02470	1.1
145.02969	1.1
161.02444	2.1
161.04572	2.8
163.11301	3.0
165.12836	1.6
173.04561	1.7
175.03941	1.2
179.05611	4.0
191.05611	4.3
207.10193	1.3
209.11848	100.0
210.12173	7.0
227.12900	27.2
235.08318	2.2
305.08594	1.1
379.12491	9.8
397.13525	32.2
398.13910	3.5
415.14661	6.8
447.09259	0.9
579.49237	1.0
589.25043	10.6
590.25366	1.3
607.26056	13.6
608.26611	2.3
627.58221	1.1
799.37274	4.1
835.40753	1.3
836.39612	1.2
903.40240	30.5
904.41022	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	899.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.7
69.03471	4.3
69.66269	3.6
71.01384	13.7
71.05006	1.1
72.99309	1.9
73.02943	1.9
75.00851	0.6
83.01378	1.2
83.05051	1.0
83.08082	0.6
85.02940	3.1
87.00912	1.4
89.02448	8.0
92.12021	0.5
93.03471	0.9
95.01424	1.3
97.02980	2.6
97.06595	0.9
99.00873	1.2
101.01859	0.9
101.02460	9.8
109.02949	1.0
113.02463	3.9
115.00378	0.6
119.03499	1.5
123.08154	0.9
125.02444	2.5
125.09705	1.7
143.03500	1.1
145.28847	0.5
149.09633	0.7
151.04106	0.6
151.11261	2.2
153.12857	1.0
161.04485	0.8
161.09778	3.5
169.12288	0.6
173.04576	0.9
175.02495	0.8
176.56168	0.7
179.10826	5.2
191.05624	1.5
197.11839	39.0
198.12172	2.9
209.11870	0.8
221.06653	1.7
223.09770	0.8
241.10808	2.1
275.20068	0.9
277.21725	32.3
278.22116	3.8
397.13504	2.0
899.46777	100.0
900.47113	32.1
900.65381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.536
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98537	47.6
124.12211	38.7
157.79163	48.0
170.41479	40.2
171.46391	43.1
229.59489	50.1
260.68527	42.9
277.21707	89.8
278.22110	100.0
341.23550	69.2
342.23795	45.4
343.23837	65.4
890.17560	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	901.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.7
65.03970	0.7
67.01893	4.0
69.03482	0.6
71.01397	3.0
71.70773	0.8
72.99332	2.0
78.38010	0.4
80.01765	0.4
80.77282	0.4
81.03478	1.3
83.01394	0.6
83.05037	1.3
85.02961	6.4
86.03318	0.4
87.00888	3.6
93.03471	28.6
94.03796	1.2
96.96023	0.8
97.06618	1.0
107.01418	1.6
107.05070	0.8
108.02222	2.9
109.02974	18.1
110.03397	0.5
111.00876	1.1
111.04536	6.5
121.02976	3.1
123.04563	0.8
125.02498	1.1
127.04022	1.7
129.01997	1.2
133.02986	3.0
134.03757	25.3
135.00928	0.5
135.04588	6.3
136.00687	1.1
136.01682	13.9
137.02481	13.5
148.01669	1.0
149.18318	0.5
150.03252	0.9
151.00398	9.1
151.04031	7.7
153.01965	0.6
154.02733	0.7
155.03522	5.6
159.04559	2.1
161.02483	1.3
162.03348	0.6
163.00385	2.0
169.01500	0.8
171.03026	0.6
173.04576	73.6
174.03587	0.5
174.04938	2.7
174.06882	1.0
175.02461	0.5
175.03951	0.6
177.01952	4.6
178.02760	3.5
178.99870	3.0
179.03506	1.4
187.03973	0.7
187.07684	3.4
188.08095	0.8
189.02005	0.8
191.05634	56.9
192.05927	4.9
193.06142	1.3
195.03038	2.6
199.04242	0.8
202.06288	0.9
203.10863	4.8
213.09247	2.0
215.03436	0.6
215.07207	0.8
216.07840	0.5
226.02751	0.7
227.03526	2.0
228.04051	0.6
229.08717	1.1
231.10263	11.1
232.10574	1.4
233.06526	0.7
233.08461	0.9
243.03003	5.0
245.04533	1.4
247.09843	0.6
249.05901	0.5
249.11368	1.8
254.02252	1.8
255.02995	14.7
256.03442	1.2
257.08289	3.7
258.08514	1.0
263.09381	0.6
267.68555	0.6
271.02481	33.0
272.03070	2.7
273.03571	0.7
275.09232	7.4
276.09677	1.2
283.02536	0.8
285.04071	1.0
293.10321	36.5
294.10703	2.6
299.02081	0.7
300.02777	66.9
301.03491	38.4
302.03894	2.5
303.04474	0.5
341.06760	1.4
346.43109	0.5
347.37598	0.5
361.14734	0.6
370.09167	1.1
421.15076	0.8
433.07776	91.2
434.08072	11.9
437.14468	2.9
449.14673	8.0
450.15192	3.1
451.10297	1.0
452.10959	0.6
467.15601	100.0
468.15894	13.2
533.30084	0.6
578.92322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85706	0.3
65.50818	0.3
66.50748	0.3
67.01890	0.4
69.03458	4.1
71.01387	15.5
71.05019	2.5
71.71359	0.7
72.99315	1.4
73.02953	2.8
75.00883	0.3
78.95905	0.4
81.03477	0.8
83.01404	1.9
83.05035	0.6
85.02946	3.8
86.11698	0.3
87.00874	2.3
89.02456	8.9
90.02791	0.3
93.03498	0.8
95.01403	1.1
95.04985	0.4
97.02976	2.0
97.06602	0.6
99.00894	1.2
101.02455	10.3
109.03011	0.5
109.31333	0.3
111.00888	0.5
111.04520	0.5
113.02457	4.0
116.92858	0.3
119.03516	1.9
121.03027	0.3
123.08192	1.2
125.02498	2.6
125.09768	1.5
131.03526	0.6
137.02496	0.4
137.09740	0.4
143.03505	0.7
151.11281	1.8
152.99637	0.4
153.12895	1.3
161.04581	1.3
161.09741	3.0
169.12389	0.7
171.10229	0.4
173.04584	0.4
179.05635	0.8
179.10770	4.6
180.11108	0.3
184.48618	0.3
191.05682	1.5
197.11848	62.7
198.12170	3.6
205.08798	0.4
207.10098	0.4
209.11877	0.9
221.06670	2.6
222.84676	0.3
223.09781	1.1
235.08241	0.9
241.10777	3.9
241.12962	0.3
253.09328	0.7
263.07852	0.4
277.21722	22.9
278.22025	2.3
283.13464	1.1
397.13452	2.3
415.14554	0.5
423.07025	0.4
493.91962	0.4
529.25586	1.1
529.75806	1.1
621.24451	0.5
639.24933	0.9
899.46777	100.0
900.47058	32.6
900.65210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71284	0.3
67.01890	5.8
69.03458	1.3
71.01392	3.6
71.41164	0.4
71.41483	0.4
76.49658	0.3
81.03474	1.1
83.01401	0.4
83.05035	1.6
85.02948	2.0
87.00882	3.5
93.03471	39.2
94.03819	1.1
95.01424	0.7
95.59365	0.3
97.06602	1.5
99.04552	0.6
99.41087	0.3
101.02445	0.4
107.01402	0.4
108.02174	0.8
109.02971	3.6
111.00888	1.2
111.04542	7.3
113.02436	0.8
121.03008	0.9
123.04530	0.7
125.02478	0.7
127.04044	1.0
129.01950	0.7
133.02991	3.2
134.03764	31.6
135.04590	9.2
136.01698	0.7
136.04865	0.3
137.02469	12.7
138.02769	0.5
139.04002	0.5
151.00398	0.8
151.04063	1.9
153.02023	0.4
154.02776	0.5
155.03537	4.9
161.02603	0.4
167.03519	0.8
171.03026	0.8
173.04573	100.0
174.04871	4.2
177.01942	3.9
178.02744	10.8
179.03513	4.6
185.06064	0.3
187.04053	0.4
187.07634	0.6
189.01886	0.3
190.59158	0.3
191.05634	27.1
192.05984	1.2
227.03503	6.8
228.03973	0.8
229.05003	1.2
231.10265	4.1
233.06677	0.4
239.03513	0.4
255.02975	10.8
256.03561	1.2
257.04614	0.6
257.08160	0.5
271.02588	0.7
273.07690	1.3
275.09244	3.3
276.09674	0.4
284.03275	12.9
285.04025	14.4
286.04330	1.9
293.10321	20.3
294.10590	2.9
300.02637	1.9
301.03610	2.1
301.20126	1.0
340.08008	1.3
352.08017	0.9
354.12054	0.3
370.09003	0.9
415.84653	0.4
431.09851	34.1
432.10190	4.8
437.14532	2.8
445.07745	1.7
446.08853	0.4
447.09003	0.5
449.14542	9.7
450.14813	1.2
463.09167	1.1
463.25436	3.7
467.15610	63.7
468.15887	8.8
818.22394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.396
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98530	15.7
62.99265	8.8
64.48462	5.6
71.01392	19.4
71.04384	6.2
71.04716	12.3
78.95924	5.1
85.02978	14.5
87.00921	8.1
87.03136	5.2
89.02416	9.2
93.03506	27.1
101.02486	8.5
109.02970	9.7
111.04510	6.1
113.02476	8.7
116.92842	5.2
125.02509	7.7
133.02962	5.6
134.03793	8.6
135.04543	19.6
137.02483	9.9
145.02997	7.3
147.04443	5.6
151.51262	5.6
155.14464	4.9
161.02435	9.8
170.48035	6.0
173.04590	46.7
173.08662	4.8
175.04153	7.6
177.01941	5.4
178.74350	5.1
179.03522	13.9
191.05630	100.0
192.05986	8.0
209.11823	68.3
210.12161	21.9
211.12346	6.4
227.12840	8.9
271.02628	9.6
280.29044	5.1
293.85245	6.0
300.02798	9.2
301.03351	15.3
397.13577	9.8
408.03903	5.2
412.83456	4.9
447.09338	7.7
448.09692	12.2
449.14346	20.9
472.62952	5.1
701.13806	8.9
753.94824	6.4
898.40051	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	899.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.8
70.90038	0.2
71.69823	0.3
83.01373	0.7
89.03971	0.4
91.01911	0.4
93.03485	0.9
95.05035	0.6
96.05357	0.3
103.05607	0.3
107.01435	1.5
108.02158	0.6
109.02969	15.2
110.03305	0.8
117.03513	0.4
119.05051	1.0
121.02968	1.7
123.04552	7.2
124.01659	0.3
124.04846	0.3
125.02430	0.3
133.02977	2.6
134.03793	0.3
135.00836	0.4
135.04498	0.4
137.02437	0.9
145.02979	1.0
147.04546	2.0
149.02429	0.6
150.03268	0.9
151.00395	4.6
151.04022	4.4
152.00728	0.7
155.03589	0.3
159.04491	1.2
159.41289	0.3
161.02487	5.3
162.03180	0.6
163.00378	1.2
163.04012	0.9
164.01199	0.3
165.14175	0.3
169.01411	0.3
173.02473	0.4
173.04581	1.8
175.03966	0.5
176.01146	0.6
177.01953	17.8
178.02307	1.0
178.99878	2.7
180.00246	0.3
183.04494	0.4
185.06065	0.3
187.04031	1.7
187.07658	1.3
188.08008	0.8
189.01958	34.2
190.02682	8.1
191.03494	7.4
191.05591	1.8
192.03906	0.4
192.05975	0.4
201.01949	0.3
201.05521	0.4
203.03528	3.4
204.03848	0.3
215.03548	0.5
216.00662	4.8
217.01428	29.1
218.01979	3.1
219.02994	11.2
220.03326	0.6
226.02686	0.4
227.03479	1.1
229.08714	0.4
231.03009	10.0
231.06529	0.4
231.10284	0.7
232.03600	1.4
232.07156	0.3
232.10658	0.5
233.04523	0.6
243.02994	2.6
244.03415	0.5
245.04401	0.7
254.02299	0.7
255.02992	7.9
256.03323	1.5
257.03738	0.5
258.03833	0.3
270.01654	0.5
271.02472	14.5
272.02759	2.8
273.03351	1.3
275.09274	1.4
276.09589	1.0
277.09775	0.4
281.04568	1.2
283.02402	1.1
289.07123	1.0
297.07675	0.9
299.02014	0.6
299.05649	2.4
300.02771	27.4
301.03445	22.2
302.03690	5.5
303.03900	2.2
304.04291	0.6
323.05600	1.8
341.06680	71.6
342.06998	7.7
438.91483	0.3
445.07809	0.4
446.07855	0.3
447.09348	27.1
448.03662	0.5
448.09720	8.7
449.09698	6.0
449.14825	0.6
450.09888	2.8
450.15048	0.4
451.10345	100.0
452.10696	15.6
452.17093	0.6
453.11087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	0.5
69.52122	3.9
71.01382	0.9
73.81674	0.4
83.01383	1.0
85.02940	0.9
88.98803	1.3
89.02470	0.6
89.04002	0.6
93.03466	1.6
95.01389	0.4
95.05058	0.5
96.96044	0.5
99.04522	0.5
101.02461	1.0
103.37650	0.4
107.01409	1.8
108.02184	1.2
109.02968	15.4
116.92862	0.4
117.03480	0.6
119.05025	1.3
121.02967	1.9
123.04536	7.5
125.02457	0.8
133.02974	3.3
135.04518	1.9
137.02489	0.9
145.02934	1.4
147.04524	1.9
148.01637	0.8
149.02505	1.1
150.03197	0.6
151.00400	6.8
151.04037	3.7
152.00858	0.6
159.04509	1.1
161.02463	4.6
161.04529	0.6
162.03172	0.6
163.00404	2.0
163.04001	0.7
173.04572	2.0
175.03954	0.6
176.01123	1.0
177.01952	19.2
178.02298	1.1
178.99881	3.7
179.03477	1.0
187.04024	1.1
189.01952	31.2
190.02675	7.2
191.03484	5.8
191.05612	4.0
192.05959	0.6
203.03502	3.9
211.04001	1.0
216.00661	4.9
217.01433	29.8
218.02074	3.0
219.02985	12.2
220.03352	0.7
227.03491	1.3
229.05003	0.9
231.02992	8.4
231.10213	0.6
232.03503	1.0
233.04521	0.8
243.02936	2.9
245.04532	0.9
254.02127	0.8
255.02974	7.9
256.03317	1.0
271.02475	17.9
272.02869	3.0
272.09366	0.5
273.03970	0.9
275.09268	1.9
281.04721	0.4
283.02548	0.9
285.04102	0.9
289.07178	1.2
297.04095	0.5
297.07559	0.8
299.01981	1.4
300.02753	32.0
301.03510	33.2
302.03845	4.1
303.04001	0.8
323.05658	2.0
341.06677	69.1
342.07040	6.8
443.06094	0.6
445.07770	37.0
446.08179	7.6
447.09009	6.7
448.09311	0.7
449.08820	0.7
449.14413	1.2
451.10345	100.0
452.10736	15.6
668.44141	0.5
835.22241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	0.9
65.00329	1.9
66.00668	0.3
67.01891	0.5
69.03451	0.1
71.01383	0.3
71.69854	0.2
81.03464	0.2
81.15904	0.1
83.01397	1.5
85.02954	1.2
87.00881	0.4
91.01875	0.3
92.02246	0.1
93.03477	3.4
94.03834	0.3
95.01437	0.2
98.60001	0.1
107.01410	4.7
108.01627	0.4
108.02314	1.2
109.01839	0.3
109.02994	3.4
110.03299	0.5
111.00904	0.3
111.04525	0.7
119.01424	0.5
121.02126	0.3
121.02976	4.3
122.03274	0.9
124.01699	0.3
125.02455	0.4
127.04012	0.2
133.03024	0.2
134.03732	0.2
135.00877	1.2
136.01276	0.2
137.02440	0.8
139.04045	0.5
145.02986	0.2
146.03764	0.2
147.00894	0.4
147.04544	0.2
148.01686	1.6
149.02559	0.6
150.02841	0.3
151.00398	19.9
152.00731	5.2
153.00858	1.4
153.01923	0.2
155.03506	0.6
157.06635	0.2
158.03784	0.2
159.04504	1.0
161.02490	0.4
163.00400	4.7
163.04018	0.2
164.00816	1.7
164.29184	0.2
165.00713	0.2
165.02078	0.2
166.80208	0.1
167.05043	0.2
168.05370	0.2
169.01529	0.8
170.01790	0.2
171.04526	0.3
172.05283	0.8
173.04599	8.6
173.06073	0.7
174.03119	0.2
174.04819	0.2
175.03992	0.4
177.81770	0.1
178.99887	9.7
180.00240	2.8
181.00410	1.1
183.04530	0.7
184.05183	0.3
185.02412	0.2
185.06194	0.3
187.04108	1.2
187.07664	10.2
188.04504	0.4
188.08022	0.6
189.01895	0.2
190.99861	0.4
191.05640	9.9
192.00601	0.8
192.05899	0.3
193.01408	0.3
198.03078	0.2
199.03976	0.9
200.04456	0.4
201.05586	1.5
202.06337	1.6
203.03477	0.5
204.03914	0.2
211.04022	1.6
212.04396	0.9
213.01932	0.3
213.04799	0.3
213.09241	1.5
215.03404	0.5
215.07080	0.6
216.04175	0.8
217.04691	0.2
218.05005	0.1
226.02762	0.8
227.03470	3.4
228.03902	1.8
229.05162	1.5
229.08720	0.4
230.01971	0.2
230.05299	0.5
231.06711	3.5
231.10236	4.4
232.07002	0.3
232.10582	0.3
239.03485	0.6
240.03996	0.5
243.02986	7.3
244.03337	3.8
245.04216	2.4
246.04904	1.3
247.05051	0.5
254.02243	1.6
255.02972	22.2
256.03339	12.1
257.03571	5.4
257.08066	3.0
258.03946	0.5
258.08646	0.2
266.02109	0.5
267.02545	0.2
271.02472	39.4
272.02835	22.1
273.03061	11.3
274.03934	1.1
275.04517	0.3
275.09253	9.8
276.09598	0.8
283.02469	2.2
284.02875	1.5
285.03122	0.6
299.01978	0.8
300.02771	77.5
301.03329	100.0
302.03638	58.0
303.04062	20.1
304.04434	1.2
343.04474	0.2
405.11810	0.3
431.13464	1.5
447.09351	83.1
448.09674	91.6
449.09860	75.7
450.10120	5.9
450.15076	0.2
604.80316	0.1
744.05884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67580	0.4
64.72553	0.5
65.00317	0.7
83.01391	0.6
93.03475	1.5
107.01373	1.5
108.02177	0.5
109.02937	1.3
117.03474	2.2
121.02956	2.1
127.57455	0.4
135.04549	0.7
149.02454	0.9
151.00394	7.5
159.04550	0.6
161.02483	1.1
163.00406	1.4
163.04053	0.7
164.01233	0.5
169.01463	0.6
178.99872	3.7
192.00676	0.4
226.02597	0.8
227.03456	1.6
239.03455	0.6
242.57555	0.5
243.02994	5.5
245.04500	0.9
254.02209	1.1
255.02979	14.2
256.03241	0.7
269.04395	0.6
271.02460	30.5
272.02887	3.7
273.03918	0.7
281.04544	0.9
283.02927	0.9
283.06104	11.9
283.09064	0.8
284.06479	1.1
299.01950	0.7
300.02756	70.0
301.03479	29.0
302.03796	2.3
311.05637	22.6
312.05966	2.5
323.05493	1.5
341.06625	2.0
431.09845	29.6
432.10226	3.7
463.08810	100.0
464.09167	13.1
592.27179	0.5
895.18439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98532	21.1
71.01398	9.4
71.71204	13.3
85.02946	15.1
87.00887	14.0
93.03471	24.0
109.03004	8.4
121.02988	7.2
125.02437	10.2
135.04492	13.2
137.02451	7.6
151.00339	9.5
160.01747	6.7
161.02489	10.3
173.04512	20.9
175.03989	9.5
179.03433	10.4
191.05614	100.0
192.05824	8.4
207.10239	18.2
209.11809	28.7
224.92723	7.4
227.12907	6.3
251.12482	6.4
271.14203	7.1
299.01724	7.2
300.02539	16.9
301.03412	6.8
444.32361	6.8
447.09442	9.4
836.39801	11.0
890.17029	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	897.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	0.6
64.70948	0.2
65.00332	0.9
71.01376	0.9
71.69554	0.3
71.69920	0.2
83.01393	1.2
85.02936	0.8
89.02438	0.4
91.78977	0.2
91.89353	0.2
93.03477	0.9
96.96022	0.5
101.02447	0.9
107.01398	2.6
108.02188	1.4
109.02976	2.3
113.02459	0.2
119.01426	0.3
119.03575	0.3
121.02972	1.7
124.01706	0.4
125.02444	1.0
133.02974	1.0
134.03699	0.3
135.00932	0.6
135.04567	0.4
137.02464	0.3
146.44598	0.2
148.01660	1.1
149.02441	0.5
151.00385	9.7
152.00899	0.8
153.01903	0.5
155.03436	0.3
159.04549	0.5
160.01637	0.4
161.02493	1.1
163.00389	2.8
164.01213	0.3
165.01895	0.3
169.01425	0.8
172.05275	0.3
173.04556	0.8
173.05980	0.4
175.04054	0.4
177.01938	4.1
177.16818	0.3
178.02373	0.3
178.99895	5.3
180.03113	0.3
183.04539	0.5
187.03963	0.6
187.07655	0.6
188.19830	0.3
189.01898	0.8
190.99863	0.2
191.05630	3.6
192.00710	0.3
198.22316	0.2
199.03880	0.5
201.01996	0.4
201.05585	0.3
211.04027	0.7
215.03500	0.4
216.04341	0.4
217.01332	0.4
217.04910	0.4
226.02631	1.1
227.03497	2.7
228.04054	0.5
229.01535	0.4
229.05037	0.6
229.08626	0.3
239.03497	0.3
241.01453	0.8
242.01852	0.6
243.02982	7.4
244.03444	0.8
245.00868	0.5
245.04562	1.6
254.02271	2.1
255.02985	21.9
256.03439	2.2
257.08105	0.6
270.01785	0.7
271.02460	48.0
272.02817	5.1
273.04175	1.1
275.09290	0.5
283.02512	1.5
284.03299	1.3
285.04050	1.7
295.02435	2.8
297.03885	0.3
298.01157	0.4
299.01849	2.2
300.02756	100.0
301.03473	51.2
302.03870	4.9
313.03473	0.4
321.03711	0.3
339.05008	0.9
431.06277	0.6
432.06870	0.3
433.07767	60.0
434.08127	8.4
435.08035	0.4
447.09290	2.3
448.09576	0.4
449.09015	0.3
449.14514	1.1
461.07501	1.5
462.07129	1.6
463.08795	80.7
464.09143	10.4
499.08524	0.3
534.40326	0.3
549.25635	0.3
609.12726	0.6
635.10669	0.4
745.14227	0.9
787.14587	0.3
880.47357	0.3
897.18536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27834	0.1
69.03441	0.2
71.00996	0.2
71.01389	3.3
72.99315	0.2
73.02946	0.5
73.58091	0.1
83.01406	0.4
83.33948	0.1
85.02943	0.6
87.00879	0.9
89.02455	2.9
93.03511	0.1
95.01394	0.2
97.02959	0.5
98.65777	0.1
99.00868	0.2
101.02453	2.6
113.02478	1.3
116.92849	0.2
119.03535	0.8
125.02471	1.3
128.88530	0.1
134.89534	0.1
136.89177	0.3
143.03491	0.4
161.04591	0.9
169.15981	0.3
179.05690	0.8
191.05626	0.3
207.18173	0.1
215.16530	100.0
216.16866	6.0
221.06717	0.2
229.40076	0.2
235.08180	1.6
253.09244	0.4
277.21732	8.4
278.22104	0.9
285.61801	0.2
287.07761	0.5
305.08777	0.7
323.09790	0.2
392.34912	0.1
397.13547	18.4
398.13876	1.9
410.04034	0.1
415.14618	5.8
416.15067	0.4
525.29126	0.2
637.98969	0.2
675.36157	0.9
676.36511	0.2
891.27466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.4
66.46041	1.5
69.03440	3.3
71.01394	22.7
71.70345	2.5
71.75559	1.3
73.02948	5.3
80.02682	3.1
81.03473	6.6
83.01395	2.7
83.04579	1.8
83.05050	5.7
85.02969	8.8
87.00915	4.6
89.02464	15.1
93.03486	4.3
95.01420	2.4
96.96040	3.7
97.02969	17.1
97.06631	2.8
98.95629	1.7
99.00892	3.7
99.92619	2.7
101.02457	16.4
107.05073	1.8
109.06606	47.8
110.03733	2.6
111.00891	1.4
111.04543	2.4
113.02474	9.3
116.92874	33.0
119.03516	2.9
121.06610	4.1
125.02519	7.1
125.03314	1.6
125.06112	1.6
125.09724	7.0
135.04567	2.9
135.08211	7.1
136.05275	2.4
142.02734	4.7
143.03555	2.0
151.00372	2.2
156.98245	1.5
161.02480	2.8
161.04628	2.0
161.06007	1.6
161.09769	5.1
163.11313	26.5
164.11620	1.7
173.04585	2.5
179.05536	2.9
179.10817	1.9
181.12349	7.9
187.09650	1.6
189.09198	2.0
191.05659	10.3
201.43922	1.5
207.10287	100.0
208.10623	6.9
209.11865	8.6
221.06609	3.1
223.09776	3.7
223.13509	2.2
225.09171	2.9
225.11339	57.5
226.11713	3.8
235.08133	3.1
237.11380	1.6
243.12291	1.8
263.12973	3.2
281.13928	2.1
305.08743	1.5
397.13574	15.7
397.18839	2.0
397.20206	1.7
405.22729	2.2
415.14481	5.7
415.21301	9.2
433.22360	4.7
605.24689	3.7
623.25507	8.1
635.31482	1.8
702.89978	1.4
759.35016	2.4
769.33362	8.9
770.34467	2.4
785.36530	2.5
787.34009	15.4
788.34430	3.9
795.35132	12.6
796.34918	4.5
813.35742	61.9
814.36182	14.8
831.36749	40.5
832.37170	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	889.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94566	0.5
61.98822	2.6
66.91177	0.6
69.03458	1.2
71.01389	16.6
71.71574	0.8
72.99306	1.9
73.02957	2.6
77.40818	0.5
78.95914	1.1
79.35942	0.6
81.03474	1.1
82.75724	0.6
83.01399	2.5
85.02975	3.8
87.00894	5.7
89.02457	14.7
95.01388	1.6
97.02959	2.5
99.00887	1.0
101.02460	13.8
113.02468	7.7
116.92881	1.8
119.03544	3.4
121.03002	0.8
123.55960	0.6
125.02470	7.4
125.09760	0.7
127.11300	1.9
139.04004	1.1
143.03484	1.8
153.09233	0.9
158.05063	0.6
161.04613	5.1
167.03558	0.8
171.10292	100.0
172.10622	5.8
177.34058	0.7
179.05647	3.6
199.06136	1.1
209.11864	0.9
213.11418	0.6
217.07245	1.1
235.08191	5.7
253.09268	0.8
259.08023	0.9
277.21738	71.8
278.22070	7.1
287.07709	2.9
291.23273	0.8
305.08813	2.4
309.17636	0.8
323.09830	1.3
379.12457	18.1
380.12714	1.7
397.13550	45.9
398.13937	3.8
415.14597	8.7
551.23462	3.9
569.24438	2.9
622.29529	0.6
657.35510	2.2
675.36163	4.2
676.36676	1.1
796.43903	0.7
876.77856	0.7
889.47034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.2
69.03458	0.5
69.60963	3.1
71.01389	15.8
72.01704	0.5
72.99329	1.0
73.02959	2.3
75.00921	0.5
81.03477	0.8
83.01398	1.5
83.05057	0.6
85.02959	4.0
87.00887	4.6
89.02456	13.3
95.01405	1.2
97.02953	2.7
99.00917	0.7
99.92616	0.4
101.02458	12.4
102.02798	0.5
109.02988	0.3
112.83922	0.3
113.02464	7.4
115.04045	0.5
116.92883	4.4
119.03493	2.3
121.03012	0.4
125.02465	6.8
125.09757	1.0
126.02832	0.6
127.11327	2.1
131.03539	0.6
133.05069	0.4
133.07365	0.4
134.89473	0.3
139.04070	0.7
143.03526	2.6
149.50345	0.4
153.09274	1.0
161.04565	3.5
167.03580	0.6
171.10289	100.0
172.10628	4.6
179.05594	3.0
185.11862	0.5
191.05711	0.4
199.06067	0.9
209.11836	3.8
210.12186	1.5
211.12314	0.6
213.11339	0.9
217.07248	1.4
221.06650	1.4
227.12854	0.6
233.22803	0.4
235.08244	4.7
238.42130	0.4
245.06699	0.4
253.09250	1.0
259.08243	1.3
277.21719	57.5
278.22058	5.5
279.23257	1.3
280.23587	1.3
281.23953	0.4
287.07782	2.7
301.09161	0.5
305.08795	2.2
323.09802	1.5
379.12476	17.1
380.12805	1.3
389.18546	0.3
397.13522	38.9
398.13855	3.9
415.14609	7.3
416.14847	0.8
459.19159	0.4
551.23352	4.4
552.23303	0.5
567.81677	0.4
569.24524	5.2
570.24683	0.6
657.35132	1.9
675.35864	2.1
815.53290	0.7
924.39050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.1
68.99820	0.3
69.03458	1.1
71.01386	17.2
71.05020	0.2
72.01752	0.1
72.99314	1.3
73.02953	2.4
75.00877	0.4
76.90511	0.1
78.73930	0.1
80.02679	1.0
80.22151	0.1
81.03467	1.9
83.01394	2.1
83.01869	0.2
83.05032	5.3
84.02180	1.0
84.05378	0.2
85.02439	0.2
85.02958	3.9
86.00111	0.2
86.03303	0.1
87.00883	4.0
87.04528	0.1
88.01253	0.1
89.02454	12.3
90.02794	0.2
91.04012	0.3
93.03473	0.3
95.01408	1.4
95.05054	0.7
97.02965	2.4
97.06592	0.3
99.00887	1.1
99.04520	0.2
101.02455	12.2
102.02786	0.2
103.04028	0.1
107.05038	0.1
109.02951	0.3
109.06600	0.1
109.70393	0.1
111.00906	0.4
111.04525	0.4
111.08147	0.3
113.02465	6.6
114.02788	0.2
115.04032	0.3
118.42023	0.1
119.03511	3.0
121.02969	0.2
123.00893	0.2
123.04519	0.2
124.01660	0.2
125.02469	5.6
125.06062	0.6
125.09725	0.2
126.02805	0.2
126.90522	0.1
127.04021	0.2
127.07680	0.1
131.03522	0.8
133.05087	0.4
135.08179	0.7
137.02466	0.2
139.04070	0.5
139.07687	0.1
141.01944	0.3
143.03528	2.3
145.05064	0.2
147.11781	0.3
149.02440	0.1
149.04561	0.4
156.93959	0.1
159.03091	0.1
161.04578	3.1
161.09612	0.1
163.11307	3.9
163.12701	0.2
164.11722	0.2
165.12865	2.4
166.13153	0.1
167.03490	0.4
169.05089	0.1
173.09792	0.1
179.05629	3.5
181.05197	0.1
181.12410	0.8
185.04585	0.2
191.10797	1.1
199.06169	0.5
199.13365	0.2
203.05644	0.3
207.10284	0.2
209.11841	100.0
210.12166	6.2
217.07130	0.7
221.06694	1.3
223.13345	0.1
225.11304	0.1
227.12892	11.9
228.13211	0.8
233.22765	0.2
235.08218	4.9
236.08574	0.2
245.06706	0.3
251.12856	0.4
253.09201	0.9
259.08163	0.4
259.20450	0.1
263.07782	0.5
275.20142	0.2
277.21722	48.3
278.22083	4.3
281.08481	0.1
287.07675	1.7
291.23245	0.4
301.09314	0.2
305.08810	1.9
319.22668	0.3
323.09872	1.0
361.11465	0.2
379.12460	6.9
380.13019	0.5
397.13528	34.9
398.13849	3.1
415.14569	7.5
416.14893	0.7
530.10199	0.1
589.25287	0.6
607.26361	0.9
608.26080	0.2
657.34955	0.2
675.36511	0.7
676.36719	0.2
805.89948	0.1
870.48108	0.1
885.45709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.1
68.82158	0.1
68.99813	0.2
69.03461	0.7
71.01390	12.6
71.05019	0.1
72.01720	0.2
72.99314	0.9
73.02957	1.8
75.00882	0.4
80.02681	1.1
81.03463	1.7
82.03790	0.1
83.01403	1.5
83.05039	5.1
84.02174	0.8
85.02963	3.1
86.00086	0.2
87.00891	3.6
89.02459	10.5
90.02795	0.2
91.04041	0.2
93.03470	0.2
95.01398	1.0
95.05047	0.7
97.02972	1.9
97.06635	0.1
98.20245	0.7
99.00890	0.7
99.04534	0.2
101.02460	9.3
102.02805	0.2
103.00435	0.1
107.05010	0.1
109.03030	0.3
109.06612	0.3
111.00925	0.2
111.04539	0.4
111.08189	0.2
113.02472	5.8
114.02823	0.2
115.04036	0.2
119.03525	2.8
121.02972	0.3
123.00901	0.3
123.04538	0.2
124.01742	0.2
125.02470	5.3
125.06090	0.5
125.09732	0.2
127.03992	0.2
127.11308	0.1
129.01913	0.1
131.03510	0.6
133.05099	0.3
135.08195	0.6
137.02504	0.3
139.04028	0.6
141.01982	0.3
143.03535	2.2
145.05092	0.1
147.11835	0.1
149.02490	0.1
149.04552	0.4
157.05115	0.2
161.04594	2.9
162.04985	0.1
163.11313	4.1
163.12695	0.2
164.11644	0.3
165.12869	2.2
166.13336	0.1
167.03485	0.3
171.02933	0.1
179.05629	3.6
181.12357	0.6
185.04610	0.1
191.10806	1.1
199.06160	0.4
203.05701	0.1
207.10226	0.1
209.11850	100.0
210.12183	6.2
217.07149	0.7
221.06665	1.4
227.12901	10.5
228.13251	0.7
235.08238	4.9
236.08691	0.2
245.06685	0.3
251.12881	0.6
253.09346	0.7
259.08286	0.5
259.20795	0.1
263.07626	0.6
264.79956	0.1
277.21735	39.7
278.22083	4.1
278.25146	0.2
287.07663	1.5
291.23212	0.2
301.09506	0.1
305.08829	1.7
323.09863	1.1
361.11359	0.2
379.12479	6.2
380.12747	0.5
397.13541	29.2
398.13873	2.6
413.18329	0.2
415.14615	7.4
416.14883	0.6
427.19336	0.1
497.20416	0.2
589.25269	0.7
607.26099	1.3
608.26160	0.2
657.35291	0.3
675.36017	0.3
867.47345	0.1
885.47571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28159	0.2
65.03967	0.5
69.03481	0.2
69.44271	2.2
71.01397	0.4
73.02953	1.4
81.03484	0.6
83.05051	1.5
85.02943	0.5
89.03983	0.3
91.05545	0.3
93.03470	11.3
94.03812	0.3
95.05042	0.3
99.00889	0.3
99.04559	0.5
105.03477	0.7
107.05080	1.1
108.02198	0.3
109.02959	0.8
111.04533	4.5
117.03508	0.3
132.02153	0.4
133.02982	10.8
133.03993	0.5
134.03854	3.1
135.04547	96.3
136.04875	4.4
137.01425	0.4
137.02464	5.9
138.02803	0.3
139.03951	0.3
143.03526	0.2
150.03236	0.3
151.03955	0.3
155.03523	1.9
158.29568	0.2
160.41550	0.2
161.02467	22.7
162.02818	1.4
173.04591	2.6
177.01968	1.7
178.02335	0.4
179.03520	84.2
180.03847	4.7
191.05615	1.4
291.08667	0.4
295.06110	0.2
333.06189	1.6
334.06531	0.9
335.07733	100.0
336.08087	9.2
336.11209	0.2
337.08170	0.4
339.05072	0.3
513.10547	0.3
645.52472	0.2
742.99506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.99261	0.6
69.03487	0.7
71.01402	3.8
71.68200	0.5
71.71413	0.7
73.02936	0.9
78.95907	1.0
80.26786	0.6
83.01405	1.2
85.02957	3.7
87.00883	1.8
88.23151	0.6
89.02476	2.0
97.06635	1.4
99.00887	0.7
101.02441	4.0
107.01430	0.9
113.02497	2.5
123.42717	0.6
123.90615	0.5
125.02477	1.1
126.90434	3.3
128.03590	1.9
129.02078	0.6
133.55484	0.6
137.09746	1.0
145.05106	0.6
151.00381	3.1
161.04594	2.2
169.01472	1.9
171.10306	8.1
171.30984	0.6
175.04034	1.0
178.99916	2.0
183.13957	2.2
191.05667	1.0
201.11330	0.7
207.10313	0.6
209.11877	1.6
211.13428	6.2
212.13741	0.7
221.11879	0.6
229.14427	3.8
235.08240	11.6
239.12814	0.6
253.09300	16.9
277.21741	56.0
278.22122	6.3
291.19675	4.1
293.21338	1.1
309.20755	7.6
311.22333	1.3
327.21774	42.3
328.22244	4.2
329.17657	0.6
337.03680	1.1
379.63626	0.6
402.42392	0.5
415.43106	0.6
485.55695	0.6
513.30646	2.2
521.30280	0.6
545.29688	4.2
546.30237	1.1
563.30743	3.6
587.43481	0.9
645.02991	0.6
675.35626	0.9
693.37579	1.0
701.24365	0.9
729.28406	0.9
795.48206	0.7
855.42108	4.1
856.41119	1.2
883.46356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	11.5
66.66137	0.3
68.52825	0.3
68.99842	0.7
69.03465	1.8
71.01389	26.2
72.99327	1.5
73.02966	4.5
75.00896	0.7
78.95935	0.4
80.02696	1.0
81.03462	3.3
83.01377	2.3
83.05029	3.1
84.02209	0.5
85.02959	6.4
87.00877	5.6
89.02457	18.2
91.04037	0.5
93.03466	1.1
95.01397	2.2
95.05015	0.9
97.02961	11.4
99.00898	4.0
99.04519	0.6
101.02459	19.6
102.02801	0.6
107.05046	0.8
109.02972	1.1
109.06610	31.4
110.03756	1.7
110.06944	0.9
111.00887	1.1
111.04539	0.9
113.02466	10.9
115.35358	0.4
116.92902	0.6
119.03526	5.0
121.06616	1.9
123.04563	1.2
124.01685	0.6
125.02465	7.0
125.09702	0.9
126.02821	0.4
127.04026	0.6
131.03540	0.8
135.08195	4.3
136.05322	2.0
137.02475	0.4
139.04015	0.6
141.01961	1.6
142.02728	3.2
143.03545	3.8
145.05132	0.4
145.10262	1.0
149.04514	0.4
161.04562	3.9
161.09766	1.6
163.11308	19.0
164.11661	0.9
165.09320	0.5
169.06590	0.4
179.05634	4.8
179.10817	1.3
181.12395	3.3
189.09177	2.4
191.05623	1.3
197.11826	0.5
199.06038	0.3
201.11375	0.5
202.11819	0.4
207.10281	100.0
208.10623	7.2
209.11821	5.4
210.12158	0.6
217.07101	0.8
221.06694	2.1
223.13545	0.9
225.11327	39.3
226.11732	2.4
227.12794	0.4
229.77551	0.6
235.08221	6.2
235.17023	1.2
243.12376	1.6
245.06708	0.6
253.09261	2.0
255.23305	0.6
256.23630	0.4
259.08209	0.5
263.07709	0.6
277.21729	73.1
278.22076	6.6
281.14142	0.8
287.07709	2.1
291.23395	0.4
299.15054	1.0
305.08890	2.1
323.09894	1.6
341.11020	0.4
379.12494	9.1
380.12833	0.8
397.13541	53.9
398.13852	6.0
405.26514	0.8
415.14609	13.0
416.14969	1.4
441.33749	0.5
443.19312	0.5
461.20404	0.5
475.83282	0.4
489.04276	0.3
503.56570	0.4
525.38983	0.4
587.23627	1.2
605.24432	5.5
606.25122	1.0
623.25720	4.5
675.36444	2.1
676.37146	0.6
703.40936	0.5
851.48773	0.7
865.45404	1.7
866.48553	0.5
883.47296	56.8
884.47675	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	883.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	10.5
67.01896	0.3
68.99832	0.4
69.03449	1.7
71.01387	21.6
71.04993	0.2
72.01756	0.2
72.99313	1.9
73.02949	3.3
75.00878	0.5
78.95927	0.2
80.02686	1.3
81.03461	3.2
83.01389	2.3
83.05033	3.4
84.02169	0.3
85.02963	5.9
86.03252	0.3
87.00887	5.1
88.01194	0.2
89.02455	16.1
90.02783	0.3
91.03996	0.3
93.03474	0.9
95.01399	1.8
95.05044	0.6
97.02962	10.6
97.06596	0.5
98.03280	0.2
99.00900	2.7
99.04557	0.4
101.02457	16.7
102.02800	0.4
102.21233	0.2
106.04253	0.5
107.05064	1.3
107.08694	0.2
109.02974	0.7
109.06606	32.8
110.03741	1.6
110.06948	1.3
111.00911	0.8
111.04533	1.0
113.02467	9.3
115.04035	0.3
119.03522	4.2
121.02982	0.3
121.06622	2.2
123.00917	0.6
123.04532	0.9
123.08182	0.5
124.01701	0.3
125.02468	6.3
125.09782	1.2
126.02773	0.2
127.04020	0.3
127.07660	0.3
131.03548	0.9
133.06590	0.4
135.08183	4.8
136.05322	1.6
136.08531	0.3
136.89163	0.3
137.02411	0.3
139.04013	0.5
141.01959	1.4
142.02747	3.0
143.03535	2.4
145.10245	0.7
149.04582	0.4
151.07675	0.2
159.03003	0.3
161.04588	3.8
161.09750	2.7
162.04990	0.2
163.11304	19.0
164.11659	1.2
165.09256	0.6
167.03555	0.5
173.04601	0.2
173.87987	0.2
179.05640	4.3
179.10762	0.9
181.12367	5.3
182.12740	0.3
189.09227	2.5
190.09601	0.3
191.05659	0.4
191.10791	0.3
199.06010	0.2
199.13452	0.4
201.11304	0.6
203.05592	0.3
207.10274	100.0
208.10600	6.2
209.11838	3.7
210.12103	0.4
217.07172	0.7
221.06697	3.2
225.11322	45.7
226.11646	3.1
227.12862	0.3
235.05966	0.4
235.08229	5.0
236.08673	0.4
239.12901	0.3
243.12422	1.9
245.06691	0.2
249.11168	0.5
253.09238	1.1
254.09718	0.3
255.23199	0.4
259.08258	0.4
259.20578	0.4
263.07672	0.7
275.20230	0.4
277.21719	51.0
278.22046	4.9
281.13989	0.9
282.14359	0.2
287.07755	1.8
295.21643	0.2
299.15002	1.7
301.09189	0.3
305.08829	2.0
321.08228	0.5
323.09830	1.2
361.11380	0.3
379.12448	7.0
380.12753	0.6
397.13528	38.6
398.13843	3.4
415.14569	11.5
416.15131	1.0
425.17917	0.3
441.33664	0.8
443.19116	0.5
461.20242	0.9
485.32751	0.5
587.23682	1.8
588.23950	0.4
605.24548	7.1
606.24780	1.0
623.25745	8.4
624.25879	1.2
657.34650	0.2
675.36224	0.9
676.36584	0.3
703.40625	0.3
721.41925	0.4
865.46082	1.5
866.46307	0.5
883.47260	49.8
884.47583	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	883.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	1.0
67.01904	0.4
68.37618	0.3
69.03435	0.3
71.01379	0.9
71.27245	0.7
72.63921	0.3
81.03483	0.6
83.01390	0.9
83.05022	0.7
85.02444	0.3
85.02963	7.0
87.00887	2.8
93.03476	5.7
96.96025	1.9
99.04528	0.5
106.62688	0.3
107.01405	2.3
108.02188	0.8
109.02982	2.0
111.00891	0.3
111.04542	1.8
113.02428	0.4
121.02972	1.7
123.04536	0.4
125.02450	0.8
127.04030	1.7
130.04335	0.3
133.02980	0.5
134.03827	0.5
135.00867	0.5
135.04492	0.6
137.02463	0.8
146.85191	0.3
148.01715	0.7
149.06140	0.8
151.00397	8.6
151.04002	0.5
152.01111	0.5
153.01988	0.5
155.03540	1.5
158.03804	0.5
159.04530	2.1
161.02509	0.6
163.00427	1.5
164.01057	0.3
169.01532	0.4
171.02962	0.5
171.04428	0.3
172.05353	3.0
173.04565	9.5
173.06076	2.4
174.03314	0.7
174.04987	0.6
174.06714	0.6
175.03931	0.5
175.07655	0.4
177.01892	0.4
178.99886	3.6
183.04518	0.9
184.05231	0.5
187.04131	2.0
187.07671	24.4
188.08044	2.0
191.05627	89.1
192.05962	3.9
197.06047	0.6
197.07814	0.3
199.04013	1.0
200.04796	1.5
201.05585	3.1
201.09206	0.7
202.06377	7.6
203.06883	0.6
203.10754	1.1
204.04256	0.6
211.04024	0.9
211.07681	1.0
212.08159	0.3
213.09213	7.1
214.09599	0.5
215.03743	0.3
215.07118	6.9
216.07799	1.2
222.33713	0.3
222.96667	0.3
226.02744	1.0
227.03499	2.8
228.04262	1.9
229.05009	0.9
229.08691	3.5
230.09224	0.5
231.06766	2.0
231.10251	12.7
232.03734	0.3
232.10657	1.1
243.03004	5.1
244.03581	0.5
245.04539	0.8
247.09904	0.3
254.02258	1.3
255.02980	15.1
256.03284	1.6
257.08197	17.6
258.08557	1.4
271.02463	34.1
272.02914	3.0
273.03714	0.3
275.09253	22.3
276.09476	1.6
283.02502	1.2
284.03406	0.4
285.03964	2.3
286.04306	0.5
299.02029	0.8
300.02771	68.7
301.03482	42.3
302.03918	3.2
303.05005	0.5
316.02322	0.5
363.23956	0.6
390.36005	0.4
405.12198	0.9
405.25034	0.9
431.06866	0.4
431.13507	1.6
433.07779	100.0
434.08115	12.0
435.08047	0.6
447.09418	0.6
448.09616	0.6
449.14648	45.1
450.15012	5.6
709.09106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.233
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78486	0.5
68.00513	0.5
68.99812	0.4
71.71522	0.8
78.58602	0.5
81.03472	5.8
83.01408	1.4
93.03463	3.4
95.01417	0.7
95.05034	5.7
97.02956	2.9
99.04529	2.5
101.02457	0.5
103.39729	0.5
107.01420	0.8
108.02197	1.4
109.02936	1.1
119.05025	3.0
121.02950	1.3
122.03753	0.9
123.03709	0.9
123.04538	10.5
125.02459	12.8
126.02715	0.5
135.04523	1.8
137.02454	1.6
137.06108	6.1
139.04016	2.0
147.04463	0.7
149.02460	0.6
151.00383	1.8
152.01114	1.1
155.03488	0.9
160.01595	0.6
161.02492	0.8
163.00378	0.6
163.04033	0.5
165.05585	5.0
167.03520	32.8
168.03857	1.2
177.05469	0.7
179.03539	5.4
181.05109	1.4
189.05576	2.2
191.03377	0.6
193.05084	1.3
197.04602	2.3
209.04558	10.7
221.04552	2.0
233.04652	0.6
239.05608	1.4
255.02872	1.6
256.03412	0.7
259.47925	0.5
271.02524	2.7
272.02899	0.6
273.07651	7.0
274.08136	0.5
285.07684	1.9
300.02780	5.7
301.03479	5.3
302.03735	3.1
303.03900	0.7
315.08737	100.0
316.09085	9.9
327.08725	2.1
345.09814	19.4
346.10147	2.0
354.80457	0.5
417.11884	2.1
433.07605	1.0
434.07944	1.1
435.13007	35.5
436.13336	5.0
447.09326	6.9
448.09558	2.7
449.09891	1.6
510.60153	0.6
549.45709	0.5
610.27179	0.5
622.15973	0.6
676.59131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98514	1.6
61.98831	18.0
69.03458	6.2
71.01389	24.9
71.05032	2.5
71.71220	1.8
72.99315	2.7
73.02949	3.6
80.02673	2.2
81.03451	3.7
83.01378	3.2
83.05045	8.4
85.02956	7.1
87.00879	5.2
87.07310	1.2
88.98815	3.0
89.02454	17.3
93.03465	5.2
95.01390	2.0
97.02961	2.5
97.06569	2.0
99.00861	2.2
99.04533	1.1
101.02461	14.3
107.53146	1.1
107.87474	1.2
109.03011	2.0
109.06617	2.1
111.00838	1.4
111.04546	2.2
111.73584	1.2
113.02477	7.1
119.03520	2.5
119.05058	1.4
123.08194	2.5
125.02449	3.6
125.09724	3.9
131.03574	1.3
135.04535	2.9
137.02455	2.5
143.03526	1.3
151.11311	4.3
153.12781	2.1
161.04559	2.6
161.09795	6.8
163.11365	6.4
165.12863	3.0
167.03806	1.4
173.04591	3.2
175.02534	1.5
175.03996	2.3
179.03488	2.9
179.05630	2.3
179.10791	8.1
191.05576	7.6
191.10756	2.3
197.11855	90.0
198.12251	6.1
209.11848	79.3
210.12048	6.3
221.06578	3.0
227.12901	4.9
235.08109	1.3
241.10866	6.4
289.07132	1.2
397.13815	2.3
415.14917	1.7
538.97412	1.2
788.16565	1.3
849.38000	100.0
850.38483	25.6
881.40631	59.0
882.40961	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	883.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	0.5
65.00323	1.1
67.01884	0.4
68.00844	0.3
69.03434	0.4
71.01382	1.0
71.28709	0.5
71.29028	0.3
77.24921	0.3
81.03482	0.5
83.01379	1.1
83.05019	0.5
85.02958	6.8
87.00891	2.3
89.02482	0.3
93.03471	5.4
96.96022	1.9
99.04533	0.4
105.03471	0.3
107.01406	2.7
108.02171	1.2
109.02960	2.1
111.04535	2.5
113.02439	0.3
121.02975	1.7
123.04542	0.4
124.01689	0.5
125.02451	1.0
127.04041	1.7
129.01932	0.3
133.02994	0.5
134.03720	0.5
135.00883	0.6
135.04521	0.7
137.02423	1.1
146.03731	0.7
148.01675	0.8
149.02531	0.4
149.06090	0.5
151.00392	9.3
151.04086	0.6
152.01111	0.6
153.01817	0.3
155.03490	1.9
158.03732	0.5
159.04533	1.4
161.02463	0.5
163.00383	1.9
164.01169	0.4
169.01488	0.3
171.03040	0.3
171.04529	0.3
172.05304	2.8
173.04559	10.3
173.06064	2.8
174.03191	0.8
174.04735	0.4
174.06781	0.6
175.07603	0.9
178.99884	3.6
180.00246	0.4
182.03758	0.5
183.04587	1.1
184.05290	0.3
185.06047	0.5
185.09714	0.3
187.04091	2.5
187.07668	22.6
188.08005	1.4
189.05489	0.4
191.05627	79.7
192.05977	2.6
197.06128	0.4
198.06932	0.4
199.03998	0.9
200.04778	1.8
201.05544	3.4
201.09238	0.5
202.06375	6.6
203.03503	0.4
203.06726	0.4
203.10832	0.8
204.04291	0.7
211.04021	0.5
211.07648	0.4
213.09222	7.6
214.09564	0.7
215.07127	7.6
216.04292	0.4
216.07796	1.2
226.02707	1.0
227.03551	3.6
228.04155	1.1
229.05060	0.5
229.08713	3.1
230.09328	0.3
231.06726	2.3
231.10249	13.6
232.03760	0.5
232.10579	1.2
239.03439	0.3
243.03006	6.0
244.03406	0.6
245.04459	0.8
248.82524	0.3
254.02237	1.2
255.02985	16.2
256.03494	1.5
257.08185	15.9
258.08582	1.4
270.01620	0.3
271.02466	33.8
272.02936	3.7
273.03970	0.6
275.09256	21.4
276.09692	1.4
283.02542	1.0
285.03983	2.6
286.04352	0.7
299.01932	1.2
300.02762	70.5
301.03488	40.5
302.03864	3.4
303.04840	0.8
363.24078	0.3
405.12061	0.9
405.24942	0.9
431.13733	1.6
433.07782	100.0
434.08139	13.7
447.09082	0.5
449.14651	40.8
450.09409	0.4
450.14960	5.0
457.41479	0.3
571.81573	0.3
577.22095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	2.6
69.03407	0.9
70.99941	0.6
71.00304	0.4
71.01379	2.1
71.62710	0.3
73.02930	0.4
77.03966	0.5
81.03422	1.1
83.05027	1.4
85.02962	1.8
87.00886	2.5
89.03964	0.5
93.03469	23.6
94.03765	0.9
95.05064	1.4
97.06617	1.5
99.00854	0.3
99.04469	0.4
105.03474	4.4
108.02161	0.4
109.02933	0.9
111.00842	0.4
111.04535	5.2
113.02407	0.4
117.03488	2.0
119.05016	0.4
121.02898	0.9
123.04470	1.1
125.02435	0.6
129.01924	0.7
132.02213	0.5
133.02974	13.5
134.03761	30.4
135.04576	7.9
137.02467	8.6
139.03951	0.6
145.02896	0.8
149.02394	0.9
151.00372	1.4
151.03856	0.3
155.03500	4.4
159.04489	0.6
161.02455	3.5
162.03236	14.0
163.03566	0.7
172.05312	0.4
173.04572	37.3
174.04938	1.9
174.06325	0.5
177.01952	4.2
178.02740	3.9
178.99875	0.4
179.03447	0.4
187.03932	0.5
187.07607	1.0
189.01910	0.4
191.05630	16.7
192.05917	0.7
197.06219	0.3
201.05478	0.4
203.10748	1.1
207.56999	0.3
213.09244	0.8
227.03539	3.9
228.03897	0.5
229.04988	0.7
229.08667	0.7
231.10262	26.1
232.10678	2.4
243.02979	0.5
255.02968	7.1
256.03464	1.6
257.04056	0.5
257.08157	3.7
258.08572	0.3
271.02344	1.7
272.02847	1.0
275.09232	100.0
276.09558	8.1
284.03238	7.2
285.03995	7.0
286.04364	1.2
300.02808	2.9
301.03436	4.8
302.03696	1.9
303.04044	0.7
327.85971	0.3
405.11703	0.4
431.09769	11.9
432.10175	1.9
445.07730	1.4
446.07910	0.4
447.09265	2.8
448.09583	3.6
449.14658	57.3
450.09470	0.5
450.15024	8.3
531.31134	0.3
703.94043	0.3
773.85706	0.4
786.92664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	5.6
69.03468	4.5
71.01392	12.1
71.05021	1.3
71.69703	1.2
72.99313	1.2
73.02950	1.8
78.95888	0.8
83.01423	0.9
85.02972	3.4
87.00906	1.6
89.02444	9.7
95.01422	0.9
97.02950	2.2
99.04562	0.7
100.83218	0.6
101.02453	8.9
113.02467	3.0
116.92891	3.6
117.92881	2.0
118.92717	1.0
119.03520	1.4
121.02939	1.6
122.02521	0.7
123.08202	0.9
125.02451	2.1
125.09756	1.9
137.09631	0.6
143.03566	0.8
151.11255	2.0
153.12875	0.8
161.09743	2.9
173.04582	1.1
176.74765	0.7
179.10759	4.6
197.11845	35.1
198.12137	1.6
209.11780	0.9
221.06694	1.7
223.09718	0.9
235.08238	1.6
241.10794	2.3
255.23297	44.2
256.23624	3.5
277.21442	0.7
301.14682	0.9
397.13535	1.0
612.49268	0.7
672.28558	1.0
815.46381	2.2
877.48364	100.0
878.48767	28.5
878.66333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.244
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82725	0.2
65.00332	0.7
71.01382	0.9
71.70187	0.3
72.94889	0.2
73.02937	0.4
78.87656	0.2
83.01369	0.5
85.02966	0.5
93.03448	0.2
99.03888	0.5
99.04538	9.3
101.02461	2.0
107.01402	1.7
108.02192	0.7
109.02979	0.9
113.02443	0.3
119.04916	0.2
121.02968	1.2
125.02475	5.2
135.00946	0.3
135.04550	0.4
139.01430	0.2
143.03543	0.5
148.01717	0.6
151.00398	6.7
152.00813	0.3
159.04643	0.2
161.04570	0.5
163.00380	1.6
164.01128	0.3
169.01442	0.6
178.99881	3.4
179.03482	0.4
183.04599	0.3
187.04039	0.3
189.05444	0.3
191.05635	0.6
199.04054	0.3
203.03491	0.3
211.04037	0.7
215.03497	0.3
216.04277	0.3
218.25703	0.2
226.02763	0.8
227.03499	1.2
229.05009	0.2
243.03004	5.4
244.03482	0.6
245.04514	0.6
247.07698	0.2
254.02228	1.8
255.02975	14.3
256.03339	1.4
257.04495	0.3
269.10352	0.8
271.02466	33.2
272.02896	3.8
273.04031	0.7
283.02490	0.7
299.02017	0.9
300.02768	74.7
301.03461	32.1
302.03925	2.8
311.11386	1.8
343.04440	0.3
351.14645	0.3
413.14621	4.4
414.15054	0.5
463.08810	100.0
464.09158	14.3
652.80695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98516	0.1
71.19239	0.1
81.55573	0.1
116.92854	0.1
133.24854	0.1
157.46765	0.1
215.07285	0.1
264.80420	0.1
277.21738	0.1
278.22321	0.1
297.67590	0.1
447.77264	0.1
510.12045	0.1
595.44336	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	0.3
63.02406	0.4
65.00337	0.8
68.19077	0.2
69.68974	2.1
70.02984	0.8
71.01392	0.6
72.00921	0.7
83.01408	0.7
85.02959	0.4
91.05542	0.5
93.03486	0.7
101.02483	0.4
107.01403	1.6
108.02189	1.0
109.02973	0.6
111.04586	0.3
121.02931	1.3
125.02481	1.0
135.00900	0.7
135.04561	0.4
137.02510	0.3
147.04546	4.5
148.01717	1.1
149.02454	0.3
151.00401	6.4
153.01913	0.3
161.02438	0.4
163.00414	0.9
164.01190	0.4
164.07182	11.5
165.07539	0.7
169.01440	0.7
173.04597	0.8
178.99881	4.4
179.03474	0.4
189.01794	0.3
191.05598	2.7
199.04001	0.7
206.08246	14.9
207.08519	0.9
215.03476	0.6
226.02707	0.9
227.03513	1.6
243.02991	7.1
244.03490	0.7
254.02243	1.8
255.02985	19.1
256.03360	1.8
271.02469	45.5
272.02905	4.7
273.03940	0.5
299.01962	2.9
300.02762	88.3
301.03363	19.1
302.03891	1.2
321.38730	0.3
343.05084	0.3
353.29501	0.2
392.51190	0.3
445.07547	0.4
463.08817	6.0
464.09186	0.8
625.14227	100.0
626.14569	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	867.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.4
69.03455	0.3
71.00988	0.4
71.01391	8.2
72.01714	0.3
72.99316	0.8
73.02956	1.3
80.02685	1.2
81.03471	1.7
83.01411	1.2
83.05034	5.0
84.02167	1.1
85.02963	2.3
87.00895	1.9
88.98839	0.3
89.02455	7.1
93.03468	1.0
95.01384	0.6
95.05055	0.8
97.02960	1.0
99.00889	0.6
101.02460	5.6
108.80443	0.2
109.03002	0.5
109.06635	0.3
111.04533	0.6
113.02478	3.3
119.03542	1.6
124.01733	0.2
125.02470	3.1
125.06098	0.6
127.04064	0.3
131.03513	0.5
133.02975	0.3
135.04533	0.6
135.08157	0.8
137.02475	0.5
139.04036	0.3
143.03549	1.2
145.03015	0.3
147.11768	0.2
161.04581	1.8
163.04053	0.2
163.11311	4.3
164.11646	0.3
165.12860	2.4
173.04576	0.9
175.04044	0.3
179.03419	0.3
179.05666	2.1
181.12361	0.6
191.05649	2.5
191.10815	1.0
199.06194	0.2
207.10345	0.3
209.11847	100.0
210.12183	6.7
215.12776	0.3
221.06732	1.0
227.12909	15.6
228.13289	0.9
230.30603	0.3
235.08296	2.1
251.12917	0.6
253.09363	0.5
259.08209	0.3
259.15570	0.2
283.13440	0.4
287.07718	1.0
305.08688	1.1
323.09888	0.4
341.11023	0.3
379.12503	3.9
397.13522	20.8
398.13873	1.5
402.67334	0.3
415.14545	5.4
416.14670	0.4
434.60959	0.2
589.25116	1.0
607.26227	2.5
757.05621	0.3
799.38000	0.8
817.38385	0.3
835.39923	0.4
849.38800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77644	0.1
62.37739	0.2
65.00353	0.3
71.04596	0.2
71.40959	0.3
81.03466	2.9
83.01387	1.2
93.03468	2.9
95.01384	0.3
105.35815	0.2
107.01401	0.8
109.02927	0.4
117.03398	0.2
119.05043	2.6
123.04545	10.3
124.04897	0.5
125.02464	5.0
126.02850	0.2
128.32503	0.2
132.02202	0.3
135.00894	0.6
135.04538	0.4
137.02481	0.2
139.04053	0.2
143.05048	0.5
149.02481	0.8
151.00392	1.5
153.01941	0.6
155.05008	0.2
157.06622	0.3
159.04510	0.4
163.00366	0.8
167.03522	27.6
168.03860	1.5
169.06627	0.3
171.04530	0.3
173.04562	0.2
178.99910	0.3
179.03531	3.0
183.04550	0.3
185.06105	0.7
187.03996	1.2
189.05592	0.9
191.03522	0.3
191.05634	0.2
195.04611	0.2
197.06100	0.4
199.03984	0.3
201.05605	0.2
211.03958	1.0
213.05522	0.7
227.03506	31.2
228.03865	2.4
229.05095	4.2
229.08704	0.4
230.05392	0.3
239.03485	0.6
240.04124	0.4
241.05022	0.7
243.03090	0.2
255.02983	40.2
256.03510	6.8
257.04578	2.4
258.04550	0.3
267.02777	0.3
268.03674	0.2
269.04266	0.2
273.07678	45.2
274.08029	3.7
283.02371	0.2
284.03265	50.4
285.04007	49.6
286.04327	5.5
287.04544	1.1
288.04913	0.4
299.05243	0.2
327.05157	0.5
424.92960	0.2
431.09839	100.0
432.10153	14.0
432.16122	0.4
433.10516	1.9
434.10602	1.5
435.13031	6.4
436.13394	0.9
484.55096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	0.3
65.00314	0.7
71.70726	0.2
74.07336	0.1
75.74149	0.1
83.01388	0.6
88.98820	0.2
91.01900	0.2
93.03484	0.2
107.01406	1.6
108.02177	0.7
109.02978	1.1
119.01433	0.2
121.02978	1.3
121.60558	0.1
125.02471	0.2
135.00867	0.5
143.14656	0.1
148.01678	0.9
149.02477	0.2
151.00395	7.7
152.00792	0.4
153.01984	0.2
153.90175	0.1
159.04507	0.3
162.99133	0.2
163.00398	1.8
164.01091	0.4
169.01526	0.5
173.04640	0.2
178.99884	3.7
180.00201	0.1
183.04558	0.3
185.02399	0.1
185.06226	0.1
187.03990	0.3
190.02637	0.1
190.99950	0.2
191.05556	0.2
192.00616	0.3
193.01479	0.1
198.03146	0.1
199.03947	0.4
201.05568	0.4
203.03551	0.2
211.03972	0.8
212.04837	0.1
213.01889	0.2
215.03580	0.2
216.04292	0.3
226.02693	0.8
227.03519	1.6
228.04124	0.3
229.01428	0.1
229.05003	0.6
239.03470	0.2
240.04211	0.1
241.01564	0.2
242.01970	0.2
243.02985	5.8
244.03403	0.5
245.04536	1.0
254.02220	1.5
255.02983	16.6
256.03403	1.3
257.04666	0.2
266.02127	0.1
271.02472	34.6
272.02887	3.4
273.03961	0.7
283.02460	1.1
285.03964	0.2
299.02051	1.0
300.02762	69.9
301.03485	41.5
302.03897	3.1
343.04208	0.1
431.06259	0.2
432.06528	0.2
433.07767	100.0
434.08105	11.1
434.12711	0.2
449.10373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	5.2
69.03458	1.7
71.01387	17.4
71.69485	1.2
71.69945	1.1
72.99326	2.0
73.02943	2.0
77.42696	0.7
80.02691	3.0
81.03471	4.1
83.01410	3.6
83.05036	9.2
84.02184	2.5
85.02971	6.2
87.00878	4.1
89.02454	14.8
93.03485	3.8
95.01376	1.5
95.05051	1.7
96.96064	1.7
97.02968	10.1
99.00903	3.8
101.02457	14.2
106.04266	0.9
109.02982	2.1
109.06613	24.4
110.03734	1.1
110.06969	0.9
111.00858	1.0
111.04522	1.7
113.02464	6.9
115.00427	1.0
115.38049	0.8
116.92892	1.3
119.03518	3.1
121.03003	0.9
121.06585	1.6
123.04546	1.5
125.02474	4.8
125.09750	2.0
129.01974	1.2
132.92395	0.8
135.08180	5.0
136.05354	1.8
137.02490	1.4
142.02792	1.8
143.03548	1.7
143.98332	0.8
158.93964	1.4
159.03171	0.9
159.04587	1.4
160.01779	0.9
161.02454	1.3
161.04633	2.7
161.09747	2.8
163.11322	18.7
164.11678	1.1
165.12900	2.6
173.04631	2.1
175.04024	1.2
179.05629	4.7
179.10757	1.0
181.12392	3.6
181.65436	0.8
189.09282	1.3
189.17149	0.9
191.05632	6.2
191.10811	1.7
197.11882	1.5
207.10287	67.6
208.10614	6.5
209.11856	100.0
210.12202	8.3
221.06723	2.5
221.11841	1.5
225.11340	32.6
226.11734	1.3
227.12895	13.2
228.13206	2.0
229.01421	1.7
235.08260	3.9
243.12354	1.4
249.11263	1.2
263.07971	0.8
281.13699	0.8
299.15152	1.1
373.23956	1.0
379.12357	3.3
397.13519	29.2
398.13870	2.6
399.21802	2.3
415.14594	9.1
417.22870	3.5
435.23999	1.0
596.16528	0.9
605.24304	5.8
607.26025	1.3
623.25616	5.6
777.97131	1.0
797.36292	16.0
797.49933	1.4
798.37030	3.6
815.37238	18.6
816.37726	5.6
833.38397	33.0
834.38690	7.7
837.30365	1.9
865.39459	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	865.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49411	0.9
60.99295	2.0
61.98838	10.4
69.89069	7.0
71.01383	2.5
71.38406	1.1
72.99316	2.8
73.02956	2.8
81.03450	2.9
82.47204	1.0
83.05036	5.7
85.02966	2.8
85.66895	1.0
88.98820	13.3
93.03467	34.7
95.05082	1.6
105.03462	1.7
107.05045	1.1
107.54184	1.3
108.02219	2.4
109.02966	15.3
111.04530	10.2
119.05051	3.2
121.02945	3.7
122.03761	4.5
123.04558	11.0
124.04853	1.2
125.02471	2.0
129.03453	1.6
131.05009	2.3
133.02980	10.5
134.03757	2.7
135.04549	22.3
136.01654	1.4
137.02466	21.1
138.02739	1.6
143.03477	1.2
143.05092	1.6
145.02979	6.4
146.03772	6.5
147.04552	27.8
148.04880	1.6
149.02419	5.1
149.06120	8.4
151.03981	3.1
155.03505	3.5
157.02951	5.2
158.03769	2.4
159.04541	47.7
160.04927	2.2
161.02461	10.5
161.06073	8.9
162.03120	1.2
163.04008	5.5
171.04568	1.4
172.05275	2.9
173.02411	8.8
173.04567	4.8
173.06081	7.0
174.03198	7.1
175.04016	40.6
176.04391	1.8
177.01927	2.0
177.05574	3.9
178.02551	1.7
179.03548	10.1
183.04488	1.5
185.06024	2.1
187.04008	12.5
189.05496	3.2
191.03479	3.0
191.05632	7.0
193.05157	2.2
197.06087	1.7
199.04074	2.7
201.01947	14.4
201.05589	1.9
203.03514	25.2
204.03918	1.7
209.06137	2.7
209.11870	5.9
211.03940	1.8
211.07616	1.8
211.13345	1.3
212.04700	1.6
213.05547	1.5
219.02994	23.1
220.03249	1.4
221.06155	3.0
223.07607	1.7
224.04854	3.6
225.05524	3.2
226.06430	1.5
227.07228	2.0
229.01433	26.6
229.05038	1.8
230.01779	3.1
233.06100	2.0
235.03970	1.5
235.07703	3.6
236.04787	2.1
237.05536	5.2
237.09125	1.4
238.06306	5.2
239.03491	1.4
239.07150	7.5
241.05013	1.1
247.02408	3.3
247.07536	2.2
248.04776	5.1
248.76364	1.1
249.05582	9.1
250.06323	3.5
251.03551	2.3
251.07077	3.5
252.04187	1.8
252.95859	1.5
253.05048	7.3
253.08766	2.2
254.05713	2.7
259.17200	1.4
261.05527	4.6
262.06360	3.3
263.03488	1.7
263.07114	9.6
264.04245	6.4
264.07629	2.6
265.05038	16.1
265.08600	4.2
266.05838	18.5
267.06610	35.1
268.07303	14.1
269.07971	1.7
271.02283	2.3
273.05496	1.5
274.06284	3.7
275.07065	4.4
276.04242	7.1
276.07248	1.7
277.05054	14.7
277.18033	13.3
278.05801	13.8
278.18246	1.2
279.02890	3.4
279.06525	7.4
280.03769	3.1
280.07150	2.7
281.05194	1.7
281.08228	18.8
282.05493	1.5
282.08847	4.0
283.06705	1.7
283.09680	11.7
285.18661	12.8
287.16504	4.3
289.05042	3.4
290.05872	11.5
291.03473	1.3
291.06598	33.8
292.03787	6.3
292.07291	9.9
293.04535	37.6
293.08163	26.8
294.05359	33.3
294.08545	3.6
295.06073	16.9
296.06711	2.3
299.16550	1.1
301.04980	3.2
301.18118	6.1
302.05725	1.2
303.02737	1.3
303.19681	10.0
304.07233	1.3
305.04736	2.7
305.07938	2.1
306.05396	3.5
307.06140	18.5
308.06857	10.8
309.07693	100.0
310.08047	10.8
311.05881	2.1
311.09244	16.9
312.09659	2.3
313.18109	2.6
315.06439	1.5
315.16174	1.3
315.19720	2.3
317.04544	4.3
318.05301	4.5
319.06158	8.8
320.03174	1.2
320.06464	1.7
321.04001	2.9
322.04837	2.4
325.07086	2.2
327.16049	1.9
327.19250	1.6
329.17599	5.0
334.04843	3.4
335.05005	17.1
336.06104	2.2
337.03574	2.1
337.07181	20.9
337.11115	0.9
338.07486	1.8
351.05319	1.4
352.05719	3.6
353.06647	30.4
354.07114	3.8
355.08298	14.9
355.15265	1.6
356.08621	2.5
357.16843	2.0
359.07773	11.1
360.07053	1.4
363.05109	3.5
375.07205	8.3
381.06241	5.5
393.07968	1.8
397.16522	2.1
403.06647	4.9
403.18973	2.0
404.19696	2.4
409.19943	1.2
417.20593	1.9
419.22278	11.4
420.22736	1.5
421.20206	17.2
422.20721	6.1
423.21692	1.3
427.18817	2.2
429.20706	5.4
435.21567	2.1
437.23361	55.4
438.23883	7.8
445.20148	7.7
446.20837	1.9
447.16888	1.8
447.22000	3.9
455.19064	1.3
461.19873	2.8
463.21289	29.5
464.21710	3.3
471.18185	1.8
473.19589	5.6
481.22327	25.9
482.22647	3.3
485.21671	1.4
489.19238	12.0
491.20782	2.3
493.11130	4.5
503.22842	9.8
504.23029	1.5
507.20206	18.8
508.20602	3.9
509.10904	44.6
509.21609	1.7
510.11035	7.8
511.12375	12.1
512.12695	2.5
513.21063	3.1
517.18677	2.8
525.21277	4.0
526.21161	1.8
535.19885	1.4
537.10364	28.7
538.10986	5.5
549.12311	1.8
555.11554	7.2
556.11414	1.5
559.11298	8.7
619.25562	3.2
621.23962	1.4
637.26605	32.2
638.26898	7.3
645.23486	6.2
647.24872	5.4
648.25555	1.5
663.24554	75.4
664.25079	17.2
665.25983	2.0
673.23096	8.3
674.23328	2.3
681.25836	20.3
682.25940	6.1
691.24365	7.2
692.24719	2.2
693.13959	2.0
709.25433	2.0
711.15820	23.2
712.16113	5.0
738.40662	1.3
837.30103	65.2
838.30511	18.9
847.28577	6.5
865.28821	11.3
866.29724	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	16.3
64.29848	1.3
65.03962	1.7
67.01909	1.1
68.99830	1.5
69.03453	2.1
69.49039	6.8
69.49466	3.4
70.44613	1.0
71.01376	2.5
73.02949	2.7
76.17736	1.1
81.03456	2.2
83.05021	4.3
85.02961	3.1
87.00883	1.2
89.02452	1.5
93.03467	30.9
94.03805	1.2
99.92514	1.0
100.58920	1.1
101.02415	1.7
108.02179	2.1
109.02975	17.2
111.00910	2.0
111.04536	10.2
113.02506	1.8
121.02956	2.2
123.04562	5.4
125.02444	2.3
133.02956	4.1
134.03780	1.3
135.04552	10.3
137.02478	14.9
145.02927	2.9
146.03745	3.0
147.04619	5.2
149.06071	2.6
150.03290	1.1
155.03531	3.9
157.02963	2.4
158.03745	1.0
159.04547	16.3
161.02432	5.4
161.06107	3.5
163.03992	1.9
169.06622	1.3
171.04509	1.3
172.05301	1.9
173.04573	6.0
173.06094	6.2
174.03223	2.0
175.04016	8.8
177.01936	1.9
177.05594	1.8
179.03488	2.9
180.05753	1.5
181.06656	1.5
183.04529	3.8
185.06119	11.9
186.06451	1.2
187.04002	4.2
187.07588	1.2
189.01709	1.1
189.05502	1.4
191.05637	10.5
192.06023	1.3
193.06581	1.5
195.04515	1.7
195.13884	2.0
196.05269	4.0
197.06133	8.7
197.11836	1.6
197.15431	4.8
198.03192	1.8
198.06795	1.4
199.03973	2.3
199.07640	4.2
201.01910	1.7
201.05602	1.3
203.03510	9.0
207.04564	1.7
207.10172	1.2
208.05347	2.0
209.06133	6.3
209.11832	6.0
210.06677	2.2
211.04030	6.2
211.07616	4.5
212.04738	3.4
213.05466	4.0
213.09229	2.1
214.02760	2.5
219.04558	3.0
220.05249	2.2
221.06038	5.7
222.03326	1.5
222.06815	3.8
223.03955	2.4
223.07585	8.7
224.04877	5.8
225.05565	14.2
226.06125	3.9
227.03520	3.3
227.07091	2.1
228.04018	1.2
229.01474	12.2
229.05002	12.2
230.05489	1.3
232.05304	1.4
233.06053	3.0
235.03943	4.3
235.07648	2.8
236.04742	4.1
236.08421	1.2
237.05618	9.4
237.09268	1.8
238.06403	5.4
239.03448	3.0
239.07175	12.7
240.04301	5.2
240.07706	1.9
241.05058	8.0
241.08702	3.7
242.05737	1.7
243.02945	4.8
243.06538	1.8
247.03975	3.4
247.07678	3.3
248.04765	9.3
249.05545	18.9
250.02676	2.1
250.06325	10.0
251.03484	16.7
251.07164	6.6
252.04091	7.6
253.05087	23.0
254.05673	5.0
255.06505	4.0
261.05551	3.4
262.06320	3.3
263.03461	5.0
263.07178	10.4
264.04227	16.8
264.07693	4.5
265.05005	40.6
265.08569	8.1
266.05804	19.2
267.06589	50.6
268.07339	18.6
269.04517	2.4
269.07922	3.3
270.37411	1.3
271.02420	3.4
272.04889	1.7
273.05591	2.5
274.06412	1.7
275.03479	3.1
275.07080	4.3
276.04266	3.7
277.05081	14.9
277.08121	2.3
277.18033	3.5
278.05832	7.3
278.08432	1.3
279.02957	12.1
279.06488	4.6
280.03677	6.1
280.06989	2.1
281.04590	3.3
281.08182	10.1
282.05252	1.8
282.08829	2.7
283.06339	2.2
283.09680	5.9
285.18604	3.0
287.07150	1.6
288.04642	1.2
289.04984	4.9
290.05713	6.8
291.03012	4.7
291.06583	16.5
292.03720	14.1
292.07233	4.0
293.04510	38.9
293.08121	14.4
294.05331	16.8
294.08444	1.4
295.06110	17.7
296.06546	2.9
297.03973	3.2
301.05002	1.5
302.05743	1.9
303.02914	3.6
303.06354	2.2
303.19666	4.1
304.03781	1.3
304.07401	1.3
305.04626	2.3
306.05249	2.7
307.06122	12.3
308.06754	4.0
309.07642	21.7
310.08051	3.0
311.05536	9.0
311.09186	7.4
317.04605	5.2
318.05228	3.1
319.02380	3.5
319.06100	6.5
320.03082	2.7
321.00610	1.9
321.04092	19.4
322.04578	2.6
327.08850	1.4
327.19543	2.4
329.17853	2.7
331.06030	1.3
333.03781	1.3
334.04807	2.9
335.05499	4.7
336.06201	1.2
337.03445	7.3
337.07184	10.6
338.07648	1.3
339.05115	10.5
345.03793	1.4
353.06644	3.5
355.08273	6.2
359.07626	2.8
363.05170	5.3
371.18512	3.4
381.06052	5.0
389.21466	1.5
390.18481	1.5
393.20743	1.5
397.17090	7.4
401.21323	2.2
403.19122	4.1
404.19852	3.3
405.16989	4.2
406.17612	2.8
408.18704	1.1
417.20517	2.6
419.17368	1.4
419.22812	8.5
421.20169	19.2
422.20566	3.3
427.19016	1.2
429.08371	1.8
429.20703	4.4
431.18546	4.3
435.21692	1.8
437.23462	23.4
438.23694	2.4
445.20294	7.1
447.16977	11.4
447.22733	3.8
448.18542	3.2
453.08603	1.5
455.18414	1.5
463.21313	18.8
464.21527	2.7
465.19186	4.8
467.09995	3.2
473.19727	7.5
481.22314	16.0
482.22668	1.8
489.19107	7.7
491.20859	11.5
492.20627	1.7
493.07407	9.2
494.09079	1.4
495.09390	9.7
503.23108	3.3
507.20255	12.0
508.20383	1.7
509.11014	2.9
509.21829	5.0
511.12558	2.6
517.18713	4.1
525.21326	2.4
535.19836	4.4
537.10767	7.0
538.11041	1.3
555.11505	1.9
559.11218	1.4
619.25513	2.6
621.23419	4.4
629.24164	1.4
631.20483	1.4
637.26617	15.1
638.26660	2.7
645.23004	1.5
647.25494	5.3
648.25507	1.2
663.24628	17.0
664.24908	3.3
665.26263	10.5
666.26440	2.3
667.12115	1.6
673.23151	5.0
674.23749	1.8
681.25653	11.5
691.24017	16.8
692.24030	5.1
709.25195	35.7
710.25366	8.1
711.15869	15.8
712.16162	4.9
837.30176	39.6
838.30670	10.2
847.28009	10.8
848.28839	1.4
865.29529	100.0
866.29840	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03981	0.5
67.01885	0.6
69.03473	0.7
69.93361	0.9
69.93762	0.9
77.44895	0.3
77.55899	0.3
81.03461	1.4
81.68437	0.3
81.81205	0.3
83.01399	3.4
83.05041	0.5
85.02977	0.8
87.00916	0.3
89.03982	0.7
93.03467	2.2
95.01408	0.4
95.05040	1.2
96.96047	0.4
97.02970	2.1
99.04542	0.5
105.03466	0.3
107.05067	1.6
108.02179	0.7
109.02975	10.1
110.03306	0.4
111.04546	0.4
113.84168	0.4
117.03490	0.6
119.05064	0.7
121.02968	2.3
122.03806	0.6
123.00932	0.5
123.03716	0.5
123.04552	7.7
124.04904	0.4
125.02471	100.0
126.02810	4.2
131.05083	1.2
132.02213	0.5
133.02995	5.5
135.00905	0.4
135.04562	2.7
137.02473	12.6
138.02827	0.7
139.04050	1.3
143.04942	0.3
145.02974	1.1
145.99615	0.4
146.03809	0.7
147.04541	1.3
149.02478	3.6
149.06125	0.5
150.03206	1.2
151.00377	0.3
151.04036	10.1
152.04401	0.8
157.06636	0.3
158.03777	0.5
159.04547	2.6
160.01624	0.4
161.02469	32.5
161.06091	1.4
162.03035	3.0
163.00360	3.1
163.04056	4.1
164.01189	6.2
165.01947	5.2
166.02672	0.3
167.03499	2.0
171.04495	0.5
173.02466	0.5
173.04594	1.5
173.06123	1.5
174.03218	0.7
175.04033	13.8
175.07660	0.8
176.01140	0.7
176.04384	1.1
177.01965	10.0
177.05594	1.2
178.02419	0.9
179.03499	2.6
183.04518	0.5
185.06113	0.8
187.04016	3.5
187.07619	0.3
188.04744	1.0
189.01976	1.9
189.05603	1.1
190.02643	0.4
191.03568	1.2
191.05640	5.1
193.05107	1.3
197.06128	0.4
199.04036	3.4
200.04735	0.5
201.01945	1.0
201.05563	2.1
202.06151	0.5
202.99736	0.3
203.03506	2.5
203.07164	3.3
205.01411	1.2
205.05115	3.6
206.05388	0.4
211.04073	1.0
212.04816	0.3
213.01978	0.4
213.05611	0.8
215.03606	1.1
215.07088	0.7
216.04285	0.5
217.01500	0.7
217.05061	7.1
218.05479	0.3
219.03017	3.4
219.06613	0.8
221.08275	0.8
225.05528	0.9
227.03586	1.8
227.07124	0.5
228.04187	0.7
229.01436	0.6
229.04982	2.3
230.02126	0.3
231.02936	1.4
240.04039	0.3
241.05109	1.4
242.02284	0.5
242.05623	0.4
243.02980	16.8
243.06709	1.0
244.03384	2.0
245.04568	11.2
245.08218	4.6
246.04956	1.2
246.08586	0.7
247.06221	0.9
249.05484	0.3
253.04994	0.9
254.05899	0.4
255.02969	6.1
256.03674	2.4
257.04474	1.5
261.04047	6.1
262.04535	0.6
267.03003	0.4
269.04520	2.7
270.05182	0.8
271.06210	0.8
273.04068	1.8
279.06674	0.3
280.03455	0.3
281.04568	2.7
282.01819	0.8
282.04938	0.3
283.02478	1.7
283.05661	0.3
284.03122	0.5
285.04150	2.5
285.07166	0.5
287.05612	26.6
288.06027	2.6
289.07187	18.6
290.07590	2.1
293.04547	0.6
295.05991	0.5
297.04053	1.1
297.07455	0.5
299.05579	3.6
301.03485	0.4
309.03937	0.4
315.08817	0.9
323.05502	0.5
327.05188	0.6
329.06625	1.0
337.03436	0.4
337.07004	0.4
339.05069	0.4
339.08746	1.5
341.06757	1.3
347.05566	0.4
353.08908	0.4
363.05206	0.9
373.03403	0.3
379.08011	0.4
381.05679	0.4
381.10043	0.7
383.07657	0.4
387.05225	0.9
391.04572	0.7
395.07849	0.9
405.06180	4.6
405.10806	0.5
406.06613	0.6
407.07739	18.7
407.92203	0.3
408.08118	2.2
409.09473	0.4
413.08807	6.6
414.09186	0.9
419.07813	0.4
423.07169	4.5
424.07349	0.5
425.08789	9.7
426.09241	1.2
433.09354	0.4
435.07458	0.8
437.08817	0.3
449.08768	6.6
450.09192	0.6
451.10440	6.4
452.11166	0.4
493.11496	0.5
517.11841	0.3
525.08386	1.8
526.08350	0.4
533.11072	1.2
543.09174	3.2
544.09851	0.7
553.13031	0.3
559.12231	0.9
561.10181	1.7
562.10638	0.4
569.11255	1.2
575.11987	5.8
576.12445	1.5
577.13580	9.6
578.13733	1.7
587.11951	3.0
616.13385	0.5
669.15448	0.6
695.14362	5.9
696.15009	1.4
713.15027	3.4
714.15930	0.8
739.16827	1.9
740.17358	0.4
865.19916	2.7
866.19977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00345	0.3
65.03955	0.6
66.27602	0.2
67.01889	0.5
68.47575	0.2
69.03468	0.3
69.64390	1.1
69.64798	0.4
71.01408	0.3
73.69852	0.2
77.03951	0.2
81.03464	1.3
83.01395	4.0
83.01871	0.3
83.05044	0.3
87.00902	0.2
89.03995	0.8
91.05564	0.2
93.03484	2.0
95.01405	0.6
95.05035	1.0
97.02956	2.3
98.20561	0.4
105.03526	0.3
106.67035	0.2
107.05039	1.6
108.02184	0.6
109.02972	11.0
110.03301	0.3
111.04530	0.4
117.03498	0.8
117.23052	0.2
119.05016	0.9
120.02171	0.3
121.02988	2.5
122.03746	0.7
123.00921	0.5
123.04549	7.8
124.01736	0.3
124.04865	0.3
125.02467	100.0
126.02817	3.8
127.26132	0.2
131.05035	1.0
132.02248	0.2
133.02977	5.7
134.03783	1.2
135.00941	0.4
135.04555	2.4
137.02466	12.8
138.03004	0.3
139.04042	2.2
143.05116	0.5
145.02995	1.1
145.06625	0.2
146.03745	0.6
147.04553	1.1
148.01703	0.3
149.02460	3.9
149.06125	1.0
150.03229	1.0
151.04031	11.5
152.04399	0.4
155.05101	0.3
157.06592	0.3
158.03737	0.4
159.04533	2.8
160.01682	0.4
160.05272	0.6
161.02466	31.2
161.06067	2.2
162.03088	2.5
163.00423	2.8
163.04042	4.9
164.01166	5.9
165.01955	6.2
165.05624	0.4
166.02426	0.3
167.03542	1.6
171.04451	0.3
173.02466	0.6
173.04546	0.9
173.06100	1.0
174.03233	0.8
175.04028	15.4
175.07664	0.7
176.01184	0.7
176.04399	0.8
177.01953	9.8
177.05521	1.2
178.02467	0.7
179.03532	2.8
180.04051	0.3
183.04546	0.6
185.02557	0.3
185.06091	0.6
187.04028	4.1
188.04782	1.4
189.01944	2.4
189.05566	0.8
190.02702	0.6
191.03511	1.1
191.05638	2.2
193.05089	2.8
194.05486	0.2
197.06096	0.3
199.04007	3.4
199.07674	0.3
200.04604	0.6
201.01938	1.1
201.05568	2.1
202.02504	0.3
202.06316	0.6
202.99847	0.3
203.03537	2.7
203.07132	4.0
204.03993	0.3
204.07358	0.4
205.01469	1.6
205.05066	3.7
206.05519	0.4
206.84819	0.2
209.06061	0.2
211.04131	1.0
212.04745	0.5
213.05527	1.0
214.02725	0.7
214.05902	0.2
215.03537	1.3
215.07089	0.5
216.00743	0.3
217.01619	0.5
217.05080	6.8
217.08452	0.3
218.05434	0.6
219.03006	3.5
219.06493	1.2
220.03546	0.2
221.08206	0.7
223.07664	0.3
224.04660	0.2
225.05594	1.3
227.03537	2.0
227.07118	0.7
228.04201	0.7
229.01509	0.3
229.05063	2.2
230.02156	0.3
230.05721	0.3
231.02979	1.4
231.06616	0.4
232.03557	0.3
233.04532	0.2
239.03503	0.3
239.07233	0.3
240.04381	0.2
241.05031	0.9
242.02229	0.4
243.02983	15.8
243.06508	1.3
244.03383	2.3
245.04543	10.6
245.08192	5.4
246.04939	0.9
246.08440	0.4
247.06100	0.7
251.03442	0.2
253.05028	1.1
254.05566	0.2
255.02992	5.9
255.05864	0.4
255.06798	0.3
256.03650	2.4
257.04504	1.7
258.05112	0.5
259.06082	0.4
261.04031	5.7
262.04407	0.4
265.05090	0.3
267.02975	0.4
268.03592	0.3
269.04556	3.3
270.04922	0.3
271.02570	0.2
271.06091	0.6
273.04028	1.9
279.02887	0.5
281.04535	2.0
282.01602	0.8
282.04578	0.3
283.02600	1.8
283.05643	0.4
284.03049	0.9
285.04041	2.1
285.07315	0.3
286.04596	0.6
287.05615	26.3
288.02829	0.4
288.05890	2.4
289.07178	20.7
290.07544	2.3
293.04785	0.4
295.02783	0.4
295.06125	0.6
297.04080	0.9
297.07385	0.3
298.04639	0.3
299.05582	3.6
303.05524	0.2
305.04340	0.3
309.04221	0.2
309.07758	0.2
311.05487	0.3
313.03568	0.2
315.08707	1.0
323.05481	0.3
327.05139	0.5
327.08575	0.3
329.06772	1.0
331.08249	0.4
337.06790	0.2
339.08679	1.3
341.06723	1.6
342.06897	0.3
347.05679	0.4
353.08887	0.4
363.05182	0.8
365.06747	0.2
367.10214	0.7
369.09827	0.4
373.03494	0.3
379.08121	0.4
381.06000	0.5
381.10202	1.1
383.07559	0.7
387.05182	0.7
389.07007	0.2
391.04465	0.8
395.07755	1.1
405.06091	4.3
405.10739	0.4
406.06451	0.5
407.07721	17.3
408.08142	2.6
413.08789	6.2
414.09058	0.9
417.06470	0.4
419.07800	0.5
423.07120	3.6
424.07425	0.6
425.08810	9.6
426.09143	1.8
433.09271	0.4
435.07104	1.0
449.08743	5.2
450.09027	0.8
451.10361	6.1
452.10596	0.9
457.01907	0.2
467.09720	0.5
475.10382	0.2
517.11255	0.4
525.08435	1.4
533.10474	1.0
543.09058	3.3
544.09631	0.6
557.11096	0.3
559.12616	1.3
560.12061	0.4
561.10419	1.8
562.10272	0.3
569.11053	0.9
570.11267	0.3
575.11963	5.4
576.12213	0.8
577.13556	10.2
578.13959	1.9
587.12061	2.5
588.12244	0.6
616.12408	0.4
617.13574	0.2
619.14838	0.4
651.15100	0.3
669.16602	0.3
677.13184	0.5
695.14227	6.3
696.14612	1.9
713.15460	2.8
714.15314	0.8
739.17004	2.4
740.17273	0.6
865.20197	2.3
866.20703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96955	0.3
62.77603	0.3
65.03970	0.6
67.01886	0.4
69.03471	0.4
71.01388	0.8
71.71262	0.5
81.03449	1.6
83.01401	4.1
85.02972	0.5
89.03995	0.8
93.03470	1.8
95.01428	0.7
95.05030	0.9
97.02971	1.8
99.04552	0.5
101.02471	0.4
105.03526	0.6
107.05051	1.4
108.02219	1.0
109.02975	11.7
110.03307	0.5
113.02506	0.5
117.03462	0.5
119.05033	0.4
120.02186	0.6
121.02982	2.8
122.03757	0.8
123.04546	7.0
124.01680	0.5
125.02467	100.0
126.02795	3.5
131.05037	1.2
133.02975	5.5
134.07272	0.4
135.04549	2.4
137.02467	14.7
138.02846	0.5
139.04065	1.5
143.05106	0.4
145.02983	0.7
145.06625	0.3
146.03741	0.7
147.04536	1.5
149.02451	3.9
149.06163	0.5
150.03255	0.8
151.04034	11.5
155.04993	0.4
157.06622	0.5
159.04517	3.0
160.05370	0.5
161.02467	31.7
161.06058	1.7
162.03209	2.8
163.00404	2.7
163.04024	4.3
164.01175	5.4
164.02525	0.3
164.07129	1.0
165.01953	5.9
167.03526	1.5
171.04616	0.5
173.04579	1.1
173.06076	1.2
174.03265	0.7
175.02496	0.7
175.04024	13.7
175.07622	0.6
176.01175	1.3
176.04404	0.9
177.01952	9.6
177.03503	0.5
177.05591	1.4
178.02597	0.7
179.03531	2.9
183.04520	0.5
185.06151	0.5
187.04008	4.8
188.04817	1.7
189.01949	2.0
189.05502	0.9
189.43431	0.4
190.02596	0.5
191.03535	1.3
191.05641	2.0
193.05063	1.4
197.06107	0.6
199.04025	3.4
200.04736	0.7
201.01950	1.0
201.05585	2.1
202.02745	0.4
202.06270	0.5
203.03534	2.5
203.07152	4.3
205.01422	2.0
205.05057	4.5
206.08255	1.2
211.04034	1.4
213.05568	1.1
214.02824	0.5
215.03438	1.0
215.07155	0.6
216.03996	0.4
217.01521	0.9
217.05067	7.5
218.05394	0.4
219.02956	3.2
219.06615	0.8
221.08200	0.7
225.05612	1.3
227.03529	1.8
227.07129	0.9
228.04280	0.8
229.01503	0.5
229.05057	2.3
230.02161	0.4
230.05818	0.5
231.02881	1.6
231.06525	0.5
239.03511	0.4
241.05089	1.0
243.02985	17.1
243.06664	1.2
244.03320	1.7
245.04567	10.9
245.08220	5.3
246.04947	0.9
246.08702	0.4
247.05981	0.7
253.05095	1.1
255.02989	6.8
255.05930	0.4
255.06700	0.4
256.03714	2.5
257.04517	1.7
261.03998	5.8
262.04425	0.6
267.03091	0.8
269.04547	2.5
270.04965	0.4
271.02438	0.5
271.06210	0.7
271.09631	0.4
273.04129	2.4
279.03024	0.4
281.04599	2.5
282.01749	0.7
283.02368	1.6
283.05756	0.4
285.04080	2.0
285.07373	0.6
286.04694	0.4
287.05612	29.5
288.02820	0.5
288.05872	2.6
289.07187	22.6
290.07587	1.7
293.04367	0.5
295.02722	0.7
295.05945	0.5
297.04086	0.8
297.07443	0.5
299.05569	4.0
315.08649	0.5
323.05438	0.5
327.05194	0.7
329.06705	1.8
331.08539	0.5
335.62405	0.4
337.03406	0.5
339.08813	1.8
341.06717	1.9
347.05493	0.4
363.05191	0.9
373.03427	0.4
381.05798	0.8
381.10043	0.9
383.07635	0.5
387.05078	0.8
391.04385	0.6
395.07751	1.0
405.06104	4.5
407.07727	20.0
408.08090	2.8
413.08801	6.8
414.09201	0.9
423.07248	5.0
424.07867	0.5
425.08786	13.8
426.09119	1.4
435.07465	1.0
437.08578	0.4
449.08749	6.0
450.09302	0.5
451.10413	7.6
452.10638	1.0
467.09955	0.6
517.11200	0.5
525.08228	1.9
533.10840	1.2
543.09082	3.6
557.10883	0.5
559.12708	1.0
561.10504	1.6
569.11194	1.3
570.11768	0.4
575.12054	6.4
576.12616	1.2
577.13611	11.0
578.13611	2.1
587.11908	3.7
588.12628	0.7
616.12640	0.4
669.15820	0.4
677.13129	0.5
695.14233	6.8
696.14716	1.3
713.15295	3.6
714.15662	1.1
739.17017	2.1
740.17981	0.7
865.19458	2.4
866.20581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	0.7
63.02387	0.6
65.00323	1.3
71.01369	1.1
71.70090	0.4
83.01385	1.2
85.02953	0.9
87.00887	0.3
89.02485	0.4
93.03469	1.2
101.02448	0.3
102.98628	0.3
107.01420	2.4
108.02187	0.5
109.02998	1.8
111.04515	0.3
113.02460	0.6
116.92798	0.3
121.02970	2.4
123.04498	0.4
125.02460	1.0
133.02957	1.6
135.00919	0.6
135.04526	1.0
137.02443	1.0
147.04500	0.3
148.01683	0.8
149.02396	0.6
151.00400	10.5
152.00931	0.6
157.06544	0.3
159.04556	0.4
160.04037	0.7
161.02467	0.9
161.04520	0.3
163.00398	2.7
164.01103	0.5
165.01921	0.4
169.01463	0.5
173.04572	1.3
173.05933	0.5
175.04034	0.8
177.01920	0.7
178.99896	5.4
179.03542	0.9
185.06122	0.4
187.03990	0.6
190.99835	0.3
191.05664	4.6
192.00627	0.4
199.03986	1.1
201.05595	0.4
203.03551	0.4
211.04013	1.0
213.01912	0.3
214.02699	0.3
215.03551	0.5
226.02774	0.9
227.03503	5.3
228.04041	0.4
229.05083	0.9
243.03009	5.8
244.03336	0.8
245.04469	1.2
246.05029	0.4
254.02147	1.1
255.02991	18.2
256.03339	2.3
268.03659	0.4
269.04358	0.4
270.01669	0.4
271.02469	25.8
272.02896	3.0
273.03928	0.9
283.02493	1.3
284.03308	5.6
285.04050	30.8
286.04391	2.4
299.02014	1.0
300.02768	58.1
301.03500	42.1
302.03894	4.2
303.04086	0.4
416.13522	1.2
417.08362	6.4
417.13635	0.5
418.08685	1.1
431.09805	0.5
445.07874	2.1
446.07977	1.8
447.09338	100.0
448.09662	12.4
556.76544	0.4
567.12311	0.4
865.75098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.4
63.02403	0.5
65.00324	1.2
68.04524	0.3
71.01376	1.4
71.71452	0.8
83.01389	2.5
85.02962	1.5
85.96449	0.5
87.00891	0.4
88.12814	0.4
88.98837	0.5
89.02451	0.4
93.03483	1.7
101.02448	0.9
107.01403	2.3
108.02200	1.3
109.02986	2.2
113.02452	0.9
116.05073	0.9
116.92886	0.5
119.03539	0.5
119.05061	0.5
119.11755	0.4
121.02985	1.3
123.04546	0.7
124.04122	0.5
125.01615	0.4
125.02488	1.6
133.02956	5.8
135.04568	2.0
137.02461	0.9
148.01718	0.8
149.02463	1.5
151.00398	9.4
152.01115	0.8
153.01944	0.5
160.04070	33.6
161.02446	0.8
161.03127	0.5
161.04416	6.6
163.00410	1.6
163.03947	0.7
167.03529	0.4
169.01482	0.5
173.04564	1.2
175.04079	2.3
177.01933	0.8
178.99893	3.1
179.03539	0.9
183.04587	0.4
185.06094	0.5
191.05602	3.2
199.04053	1.5
201.01964	0.6
202.04985	0.5
204.03079	1.4
205.03195	0.4
211.04036	1.2
213.05611	0.9
217.05089	1.5
227.03522	7.0
228.04021	0.5
229.04996	0.6
241.05048	0.7
243.02998	4.7
244.03589	0.6
245.04597	1.3
254.02162	0.8
255.02991	19.1
256.03333	2.8
257.04459	0.5
271.02481	23.5
272.03015	2.8
273.03857	1.0
283.02490	1.6
284.03265	8.4
285.04059	100.0
286.04398	8.7
299.01880	0.9
300.02771	52.0
301.03510	30.3
302.03925	3.6
315.07175	0.5
315.65771	0.5
322.09180	0.7
335.07523	0.6
366.08325	0.6
374.96854	0.5
400.36191	0.5
417.08313	10.3
418.08682	1.4
445.07870	0.7
447.09348	92.6
448.09726	12.1
504.36932	0.5
511.59735	0.5
528.15662	0.5
529.16656	0.6
680.33960	0.5
864.33417	1.4
865.33984	5.4
866.33978	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.3
67.57125	0.1
68.99832	0.2
69.03458	0.9
71.01390	15.9
71.05042	0.1
72.01731	0.3
72.99316	1.2
73.02959	2.2
75.00876	0.3
80.02687	1.1
81.03465	1.8
83.01395	1.9
83.05038	4.5
84.02177	0.8
85.02959	4.0
86.00130	0.1
87.00890	3.8
87.04567	0.1
89.02458	12.3
91.04035	0.3
93.03475	0.4
95.01397	1.3
95.05038	0.7
97.02967	2.5
98.19890	0.3
99.00912	0.9
101.02461	12.4
102.02794	0.2
107.05032	0.1
109.02972	0.3
109.06628	0.2
111.00909	0.4
111.04519	0.4
113.02467	6.8
114.02798	0.1
115.04035	0.3
116.92881	0.1
119.03525	3.1
121.03008	0.3
123.00933	0.2
123.04613	0.2
124.01655	0.2
124.94027	0.1
125.02469	6.2
125.06117	0.5
127.04085	0.3
131.03535	0.6
133.05138	0.4
135.08194	0.7
137.02489	0.2
139.04034	0.5
141.01866	0.6
142.31087	0.1
143.03529	2.7
145.05115	0.2
149.02510	0.2
149.04597	0.3
157.05072	0.1
161.04579	3.2
163.11299	3.6
164.11668	0.2
165.12880	2.4
166.13216	0.2
167.03525	0.4
169.05090	0.2
179.05615	3.6
181.05000	0.1
181.12407	0.6
185.04495	0.3
191.10796	1.0
199.06068	0.5
203.05664	0.2
209.11847	100.0
210.12183	6.8
217.07217	0.8
219.04951	0.2
221.06700	1.2
223.13423	0.1
227.12907	11.8
228.13260	1.0
229.63876	0.1
233.11903	0.1
235.08241	5.6
236.08531	0.3
245.06685	0.3
248.41557	0.1
251.12918	0.4
253.09245	0.9
255.23296	54.3
256.23651	4.8
259.08121	0.6
263.07660	0.5
269.24930	0.4
277.09366	0.2
287.07709	1.9
297.24341	0.3
301.09250	0.1
305.08820	2.1
306.09018	0.1
322.87762	0.1
323.09848	1.3
341.10721	0.2
361.11575	0.4
379.12473	9.0
380.12759	0.9
397.13538	40.9
398.13898	3.6
415.14612	7.5
416.15262	0.6
427.20010	0.1
589.25037	1.2
607.26001	0.9
608.26337	0.2
635.36945	0.8
653.37659	2.4
654.38116	0.4
726.47455	0.1
863.50922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.302
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76911	0.1
65.00332	0.2
67.01891	0.5
67.05183	0.1
71.01391	1.5
73.02955	0.4
75.25166	0.1
78.11250	0.1
81.03469	0.4
83.01403	0.4
83.05036	0.2
85.02962	7.5
86.03335	0.2
87.00887	1.9
93.03471	3.8
95.01418	0.3
99.00903	0.2
99.03894	0.2
99.04535	3.8
100.04887	0.4
101.02463	1.4
107.01423	0.4
108.02204	0.2
109.02974	1.1
111.04523	1.1
113.02482	0.5
117.03471	0.4
118.40543	0.1
123.04489	0.3
125.02463	2.7
126.02785	0.2
127.04038	2.0
131.36278	0.1
133.02979	0.5
134.03758	0.4
135.04565	0.4
137.02534	0.6
143.03482	0.3
149.02467	0.2
150.03236	0.3
151.00394	1.7
151.03990	0.3
152.01178	0.2
153.01971	0.2
155.03519	0.4
159.04469	0.3
161.02463	0.4
161.04567	0.5
171.02982	0.6
172.05342	1.1
173.04570	4.4
173.06030	0.3
174.03339	0.2
175.04004	0.2
178.99936	0.2
183.04469	0.4
187.04047	0.4
187.07664	9.6
188.08029	0.9
191.05632	100.0
192.05981	4.4
199.04070	0.9
200.04793	0.6
201.05507	0.2
202.06422	0.3
203.10754	0.3
204.04358	0.2
211.03912	0.2
213.09236	1.4
214.06320	0.2
215.07184	1.9
216.07506	0.2
217.05046	0.2
227.03465	2.0
228.04202	1.5
229.08763	0.7
231.10266	2.4
232.10458	0.1
233.06546	0.2
241.01384	0.2
255.02986	0.7
256.03296	0.6
257.08188	16.3
258.08551	1.2
259.79187	0.1
266.77271	0.1
269.10376	0.5
270.01685	0.3
271.02536	0.3
275.09232	3.2
276.09641	0.3
284.03271	0.9
285.03973	1.6
286.04041	0.5
298.01071	0.2
299.01913	0.4
300.02802	0.2
301.03568	0.3
303.05103	0.4
311.11490	0.8
312.11682	0.3
351.14270	0.2
356.62958	0.1
373.23999	0.2
405.11951	0.4
413.14508	2.4
414.14911	0.7
415.14893	0.4
431.06339	0.8
431.13422	1.3
432.06775	0.2
432.13928	0.2
433.07806	0.2
447.09412	1.3
448.09604	1.0
449.14767	13.0
450.10406	0.2
450.15137	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	863.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	7.1
67.50702	0.6
69.45189	4.4
69.45604	1.1
71.01365	1.0
76.60076	0.6
78.95879	0.7
81.03445	1.1
83.05051	1.2
85.02945	0.8
87.00882	1.1
88.98826	1.4
93.03470	8.3
97.84766	0.6
109.02958	0.9
111.04524	1.8
112.40396	0.6
116.92920	0.6
125.02483	0.9
125.97443	0.5
133.03041	0.6
134.03752	0.7
135.04541	1.1
137.02441	2.7
147.04492	0.7
155.03513	2.3
158.08231	1.2
161.02478	1.1
169.15938	2.0
173.02649	0.5
173.03172	0.6
173.04578	5.9
179.03551	1.4
191.05634	4.5
197.11844	1.0
205.06544	0.6
207.10352	1.4
221.06198	0.6
233.06134	6.3
235.03839	0.8
237.05620	1.6
243.04976	0.7
249.05627	1.8
251.07086	1.4
261.05609	5.9
263.07159	1.0
264.04376	1.4
265.05157	3.3
266.05554	0.6
267.06552	2.0
269.00900	0.6
275.03381	0.6
277.05197	3.0
278.05933	3.0
279.06595	4.9
280.03793	1.7
280.07339	5.2
281.04514	1.8
281.08163	4.0
282.08740	1.2
287.03329	0.8
288.04358	1.1
289.05060	42.8
290.05524	5.0
291.06641	3.4
293.04578	13.9
294.05118	2.7
295.06006	1.0
304.03717	1.0
305.01166	1.3
305.04575	18.9
305.07944	0.7
306.05252	4.7
307.06113	33.7
308.06668	6.8
309.04160	0.5
309.07562	1.5
310.04709	1.1
315.03027	1.8
316.03790	0.8
317.04532	1.2
323.05478	1.0
325.07028	1.7
332.03104	0.9
333.04053	64.9
334.04398	7.9
335.05518	4.1
337.03632	2.9
350.04202	1.0
351.04681	0.8
353.06717	1.9
378.03705	0.8
379.04541	2.4
419.18539	1.0
461.19904	1.4
463.17432	1.1
480.10367	0.9
481.11435	1.4
487.17612	0.9
489.19061	1.0
491.10013	1.4
493.07730	2.6
505.18713	0.8
507.09314	6.8
508.09729	1.6
619.21930	3.5
635.25970	0.7
691.13147	1.2
707.23053	0.8
708.13293	0.9
709.14453	1.1
803.37848	0.9
835.28937	1.1
863.28021	100.0
864.28418	29.6
864.42578	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	857.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01706	0.6
69.41071	1.5
69.41499	0.8
71.01391	1.0
71.05025	3.2
81.30624	0.3
83.05054	0.2
84.19845	0.2
85.02930	0.4
87.04513	1.5
90.04465	0.2
91.10818	0.2
93.03452	0.3
96.96021	0.3
98.19789	0.5
99.04533	10.3
99.08173	3.3
100.04887	0.4
103.00387	6.3
107.01417	0.5
109.02968	0.6
115.04028	5.9
115.07686	1.1
116.04388	0.3
117.04784	0.4
117.05596	6.0
118.05925	0.3
121.02975	0.4
125.02487	0.2
125.06146	0.3
133.03069	0.2
137.02489	0.2
143.07155	3.4
151.00372	3.6
161.08212	100.0
162.08568	3.9
163.00362	0.4
169.01436	0.4
173.04626	0.3
175.00500	0.5
178.99895	0.8
191.05637	0.9
193.01434	0.3
199.04051	0.9
203.09267	23.8
204.09650	1.3
227.03477	0.6
243.02979	1.4
244.03468	0.3
247.08218	1.4
255.02924	0.8
271.02466	17.2
272.02869	1.6
283.02444	0.2
285.03928	0.2
299.01974	32.8
300.02588	6.8
301.03537	28.9
302.03802	2.4
313.03455	0.6
343.04675	0.9
364.07800	0.3
447.09369	2.7
448.09409	0.4
462.08041	9.1
463.08722	5.0
464.08807	0.6
539.21594	0.3
542.97144	0.2
609.14746	59.6
610.15051	9.9
610.25177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01714	0.9
60.51236	0.4
64.82726	0.5
71.01389	10.0
71.41319	0.6
71.41642	0.5
73.02946	3.7
81.03471	0.7
82.64927	0.4
83.01394	2.5
85.02959	5.1
90.84843	0.4
93.03474	0.6
95.01418	0.7
99.00898	1.3
99.04532	59.1
100.04865	1.9
101.02459	19.8
102.02805	0.7
108.02233	0.4
109.02937	0.4
113.02463	4.2
119.05062	0.5
125.02467	23.2
126.02778	0.5
137.02449	0.5
143.03539	2.8
143.04550	0.4
151.00400	2.3
159.02934	1.0
161.04556	6.2
163.00459	0.5
167.05217	0.5
167.24458	0.4
169.01437	0.5
174.03116	0.6
183.04489	0.5
184.20927	0.4
187.04103	0.4
191.05661	2.7
199.03947	0.5
211.04025	1.2
227.03503	37.5
228.03873	2.0
229.05034	1.1
232.86430	0.4
237.33795	0.5
239.03546	0.5
243.03050	0.4
255.02975	50.1
256.03577	7.0
257.04376	1.0
260.86810	0.4
269.10281	11.5
270.10629	1.0
271.02527	0.8
284.03259	62.4
285.03946	19.8
286.04410	1.3
300.02759	1.8
301.03439	1.4
311.11346	12.4
311.14780	0.8
312.11728	1.0
319.08215	0.7
327.05142	1.5
351.14536	3.7
352.14609	0.5
355.10266	0.7
369.15524	0.7
413.14551	47.9
414.14844	5.9
433.07877	0.7
447.09320	100.0
448.03574	0.9
448.09659	13.3
579.88275	0.4
739.22668	0.4
774.69373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19413	0.2
61.78615	0.2
63.02399	0.3
65.00320	1.0
68.07613	0.2
69.64081	0.5
69.64485	1.4
71.01398	0.3
73.02911	0.2
83.01405	0.8
85.96511	0.2
89.02498	0.2
93.03483	0.3
99.04536	1.2
101.02470	0.5
107.01411	1.8
108.02221	0.9
109.02959	1.0
113.02481	0.4
119.54482	0.2
121.02972	1.1
125.02452	0.8
127.16018	0.2
135.00922	0.5
135.86542	0.2
137.02425	0.2
148.01709	0.7
149.02412	0.4
149.18347	0.2
150.99173	0.4
151.00394	6.7
152.00603	0.3
163.00394	2.0
164.01131	0.3
169.01489	0.3
178.99890	3.9
187.04008	0.4
192.00668	0.2
193.01425	0.2
199.04062	0.5
201.05634	0.3
203.03407	0.2
211.04019	0.6
215.03534	0.3
216.04269	0.3
226.02693	0.8
227.03575	1.7
229.05025	0.6
235.59929	0.2
243.02989	5.2
244.03493	0.4
245.04439	0.9
254.02242	1.3
255.02991	15.9
256.03381	1.6
271.02481	32.9
272.02890	3.9
273.04016	0.7
283.02615	0.9
299.01990	0.7
300.02774	71.6
301.03488	34.8
301.07169	0.3
302.03873	2.6
390.89801	0.2
391.11359	0.2
391.15942	1.1
463.08817	100.0
464.09164	12.1
486.37161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	4.0
63.02394	8.7
65.00324	15.5
70.55595	1.9
71.01390	2.2
78.95903	2.2
81.03436	1.4
83.01390	10.8
90.49289	1.0
96.96027	9.1
96.96993	2.2
98.97188	1.1
101.02489	1.5
103.48013	1.0
104.59831	1.0
105.34235	1.1
107.01410	29.3
109.02953	2.4
111.28252	1.1
114.93404	1.5
116.92896	3.7
119.01400	1.1
121.02972	1.5
124.01667	6.0
125.02474	19.0
137.02481	3.3
145.02940	1.6
147.04555	6.6
151.00397	89.3
152.01184	19.2
153.01982	6.7
159.04526	4.1
160.05403	1.0
161.02547	2.2
163.00475	2.6
165.02010	7.6
169.01448	43.8
170.01735	1.3
171.10295	1.4
173.02434	1.6
174.03270	2.6
175.04034	14.6
176.04730	2.0
177.05672	1.5
178.99881	67.4
180.00188	3.2
181.88467	1.0
185.02364	1.1
186.03233	1.4
187.04053	2.4
188.04735	1.1
189.01872	1.2
191.05681	2.0
192.00652	2.5
193.01448	4.6
195.13943	1.6
197.11913	2.0
197.15411	1.5
198.03169	1.9
199.04053	2.4
201.01953	1.9
201.05655	1.2
201.38692	1.2
202.02699	1.7
203.03546	7.3
204.04289	2.5
205.05150	1.6
209.12059	1.1
211.04030	1.1
213.01962	1.9
214.02753	2.8
215.03436	1.6
217.05122	1.3
227.03505	3.6
228.04361	1.5
229.01433	1.2
231.03027	1.7
237.05553	1.6
239.03613	1.2
240.04333	1.4
241.05190	2.6
251.03584	1.9
252.04210	1.1
253.05042	2.4
253.09338	1.8
255.02890	1.6
265.04941	2.0
266.05872	1.3
267.03143	1.3
269.04349	1.4
271.02435	1.4
277.21753	2.5
280.03622	6.3
281.04562	3.2
285.03970	1.0
291.02789	1.2
292.03952	1.1
293.04645	3.5
293.21460	1.4
294.05289	2.4
295.02512	3.8
295.22736	3.3
296.03268	3.3
296.17465	1.0
297.03720	1.2
299.01886	1.2
299.16473	1.6
300.02524	1.5
301.18091	3.6
301.79492	1.1
308.03345	1.3
309.04037	13.5
310.04752	4.7
311.05560	1.9
313.03537	3.4
313.17978	3.6
315.16208	2.6
316.16769	3.6
320.03134	3.0
323.01996	2.0
323.05643	2.2
324.02753	3.0
327.15961	3.0
328.16797	4.2
329.17581	14.4
330.18222	6.6
331.19043	2.7
335.05765	1.2
337.03558	25.3
338.04199	9.3
339.05084	2.5
339.16013	2.7
340.16611	2.6
341.03140	1.4
341.17612	4.3
341.23407	2.2
343.06772	3.2
343.25089	2.6
357.17111	8.6
358.17816	3.2
359.18640	3.3
366.03760	2.1
367.04416	1.6
367.15598	4.5
368.16248	1.6
369.17062	4.2
370.03268	1.7
381.17056	1.2
405.17120	1.3
431.18582	1.3
434.17389	1.4
447.18262	1.3
449.19601	3.8
455.31311	1.6
463.09195	1.5
463.17557	1.5
464.18417	3.3
465.19278	4.8
465.29514	1.5
467.17151	1.5
474.16785	3.1
475.17438	6.4
477.30441	1.6
478.16254	3.0
483.31146	21.1
484.31448	6.3
485.32489	5.3
492.17694	7.4
493.18567	6.8
493.29630	1.6
495.31055	4.6
503.17322	3.7
511.30869	2.0
513.31879	1.4
521.18048	4.6
521.28931	1.8
539.19165	6.2
603.33264	2.4
619.33069	5.2
629.31421	4.5
637.34369	4.1
647.32416	24.2
648.32709	5.5
648.42212	1.3
655.24487	1.4
665.33386	17.0
666.33905	4.1
673.25464	2.5
675.32129	1.7
683.23560	3.2
684.23712	1.7
701.24701	54.1
702.25244	10.3
799.39471	3.6
809.37457	2.9
827.38812	100.0
828.39075	25.9
828.54987	1.2
837.37311	3.0
838.37823	1.4
855.38104	11.2
856.39178	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	852.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.05866	0.1
62.98536	0.2
62.99249	0.1
66.13904	0.1
70.94750	0.1
83.01154	0.1
93.53721	0.1
308.39954	0.1
310.75464	0.1
480.22900	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	48.9
63.02393	2.7
63.89701	1.2
65.00323	6.2
71.01368	1.5
83.01394	4.8
85.02941	1.5
89.02462	2.2
93.03465	2.8
95.01433	2.6
98.19887	2.4
107.01422	10.0
111.00871	2.5
113.53345	1.0
116.92852	4.2
121.84681	1.3
123.00935	5.5
123.04530	1.3
124.01676	24.1
125.02442	5.2
135.04520	2.1
137.02477	1.5
137.34508	1.1
139.00383	3.4
141.01953	1.6
145.02962	1.6
151.00400	39.2
152.01184	100.0
153.01643	3.5
161.02470	6.5
162.03236	5.2
163.04002	2.7
169.01443	7.6
173.04533	1.5
178.99881	99.3
180.00145	6.1
189.01921	2.7
190.02719	3.3
191.03610	1.8
191.05649	6.7
209.11902	3.1
211.13472	1.6
225.05658	1.4
229.42606	1.3
243.02869	1.8
269.04544	1.4
271.02521	7.2
280.03635	1.1
285.04007	6.0
286.04434	1.4
295.02383	2.1
296.03262	5.4
297.04074	6.9
298.04529	1.7
299.02029	11.0
300.02536	2.6
302.22476	1.4
313.03268	2.2
314.04343	28.0
315.04749	3.7
316.16660	1.4
317.17609	1.6
324.02798	2.4
325.03613	5.3
342.03888	3.3
343.04611	1.9
343.15430	2.7
397.13062	1.7
434.90524	1.4
451.17645	2.3
461.16211	6.5
468.17709	2.0
469.18698	1.9
479.16339	1.7
637.14246	75.6
638.14600	15.1
763.28479	81.4
764.28711	19.5
773.26385	8.1
774.27740	2.2
791.27795	25.5
792.28857	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	849.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.9
60.99352	0.6
61.98833	5.3
64.13773	0.5
66.22948	0.6
67.01874	1.2
69.03463	4.2
71.01387	15.7
71.05016	1.9
71.19571	1.4
72.99298	2.1
73.02944	2.7
75.00877	1.2
80.02681	1.3
81.03437	3.0
83.01400	2.3
83.05036	5.8
84.02168	1.1
85.02962	5.2
87.00882	3.6
88.98803	2.4
89.02454	10.0
93.03464	4.4
95.01420	1.1
95.05023	0.7
96.96050	0.6
97.02958	2.5
97.06604	1.0
99.00886	2.3
99.04543	1.1
101.02459	11.9
109.02975	1.8
109.06641	0.8
111.04530	1.7
113.02456	4.0
115.00449	0.6
119.03536	1.7
123.08184	1.3
125.02467	3.0
125.09736	1.9
127.04031	0.6
133.03041	1.3
134.03751	0.7
135.04549	3.0
135.08165	0.9
137.02440	2.0
143.03543	0.9
151.11317	2.4
153.12860	1.6
161.02472	1.2
161.04501	0.8
161.09750	2.6
163.11314	3.8
165.12856	2.2
171.10304	2.0
173.04576	6.2
173.96242	0.7
174.04988	0.6
175.02545	0.9
175.03949	0.9
177.01892	0.7
178.02681	1.4
179.03497	1.3
179.05629	0.8
179.10785	4.3
180.11169	0.8
181.12340	0.8
191.05626	11.6
191.10814	0.7
192.05927	0.6
197.11848	55.4
198.12161	3.4
207.10249	2.2
209.11847	40.4
210.12210	3.5
221.06708	2.4
223.09767	1.9
225.11284	2.3
227.03616	0.7
227.12886	2.4
235.08266	1.0
241.10831	3.7
253.09225	0.6
268.07007	0.6
271.02341	0.7
283.13297	0.8
300.02625	0.6
337.06729	0.7
397.13510	2.1
463.10837	0.7
576.10278	0.6
639.25330	0.8
777.36371	1.2
813.35345	1.0
831.37189	0.9
849.38043	100.0
850.38446	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
61.98811	0.6
63.02390	0.3
63.96219	0.3
65.00333	0.4
68.99921	0.3
71.01362	0.8
71.03046	0.7
71.03371	0.5
73.02927	0.6
83.01379	1.2
85.02948	0.7
88.15146	0.3
89.36439	0.5
93.03482	0.6
96.95988	0.4
99.04523	3.6
101.02487	1.7
102.98630	0.8
107.01392	1.3
108.02207	1.2
109.02970	1.6
113.02480	0.7
117.97322	1.3
118.98102	0.6
119.05027	0.6
121.02969	0.7
124.01712	0.3
125.01612	0.4
125.02448	2.2
135.04527	0.7
143.03548	0.4
145.02933	0.4
145.75662	0.3
148.76167	0.3
151.00400	3.9
161.02475	0.7
161.04517	0.5
163.00415	1.4
163.03940	0.6
164.01190	0.5
169.01442	0.4
173.04625	0.6
178.99886	2.4
183.04526	0.4
191.05647	0.9
199.04144	0.5
226.02718	1.0
227.03511	1.7
232.01953	0.4
243.02979	4.5
244.03490	0.6
245.04628	0.6
254.02170	1.5
255.02986	14.2
256.03333	1.0
269.10266	0.6
271.02469	30.8
272.02954	3.2
272.16211	0.3
273.03961	0.7
283.02475	0.7
299.02142	0.6
299.81070	0.4
300.02759	80.5
301.03415	21.5
302.03973	1.3
311.11267	0.9
319.08344	0.4
389.30905	0.4
413.14639	4.1
433.07767	100.0
434.08084	12.0
434.12769	0.3
447.09335	0.7
482.71616	0.4
720.32068	0.4
847.30872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.3
61.98831	9.7
65.05490	1.0
69.03452	2.2
71.01385	12.9
72.99297	1.4
73.02972	1.7
78.95898	2.3
81.03439	1.5
83.01395	2.8
85.02966	3.8
87.00912	5.7
89.02457	11.0
95.05025	2.2
97.02981	2.3
97.06609	15.3
98.20615	3.6
101.02458	9.2
113.02441	4.6
116.92891	2.1
119.03482	2.9
123.08170	8.7
125.02461	3.3
125.09747	67.8
126.10095	2.6
126.78027	1.3
128.62773	1.2
137.02435	1.4
138.56789	1.2
169.08803	1.8
176.96437	1.3
187.09782	37.0
188.10071	1.2
191.05663	3.8
196.20186	1.1
222.44966	1.1
273.17203	2.3
277.21768	29.3
278.22061	3.4
293.21265	1.7
397.13519	5.2
567.23114	3.4
845.45813	100.0
846.46057	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.3
61.59682	0.5
61.98834	8.0
69.03450	2.1
71.01387	12.4
71.05003	0.6
72.99319	1.0
73.02952	2.1
83.01395	1.0
83.05030	0.6
85.02982	3.2
87.00890	2.9
88.98795	2.4
89.02461	8.2
91.57513	0.5
93.03511	1.2
95.01413	1.1
95.05035	1.4
96.96012	0.7
97.02989	1.0
97.06606	13.4
98.19887	2.2
99.00893	0.6
101.02465	8.9
111.04515	0.6
111.69175	0.5
113.02462	4.3
116.92871	0.7
119.03555	2.3
120.64886	0.5
123.08194	7.7
123.09010	0.9
125.02465	2.3
125.09747	89.8
126.10106	3.5
134.89531	1.2
143.03464	0.7
143.10800	1.4
161.04591	1.2
169.08705	1.7
179.05652	1.5
187.09784	65.8
188.10138	2.9
191.05678	1.5
200.92989	0.5
211.09653	1.2
221.06647	3.4
261.13412	1.1
265.14850	0.9
277.21713	11.5
332.22491	0.8
394.75085	0.6
397.13715	1.5
409.78915	0.5
567.22968	2.2
585.23987	5.5
586.24371	0.8
717.34686	0.6
845.45789	100.0
846.46155	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	841.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.1
61.98823	0.3
65.00352	0.1
69.57694	0.5
69.58118	0.3
71.01391	0.1
73.02954	2.9
75.00872	0.1
99.00904	0.6
99.92600	9.5
100.92622	0.5
107.01394	0.2
114.93470	0.5
116.92883	100.0
117.01957	5.3
117.02804	0.2
117.05595	0.1
117.11165	0.1
117.92894	5.6
118.02204	0.1
151.00380	0.3
169.01445	0.2
178.99806	0.5
180.00200	0.1
193.20477	0.1
209.11893	0.3
251.29881	0.1
277.21838	0.2
719.66455	0.1
805.07178	0.1
813.38379	0.1
841.37817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.3
65.00298	0.1
69.75758	0.7
71.01374	0.1
72.58672	0.1
73.02956	2.5
78.95921	0.2
81.44190	0.1
88.70016	0.1
99.00859	0.6
99.92598	10.5
100.92605	0.6
107.01423	0.1
114.93465	0.5
115.00414	0.1
116.92880	100.0
117.01956	4.8
117.92885	6.5
131.91562	0.1
137.91997	0.1
140.29713	0.1
151.00397	0.4
169.01376	0.1
178.99936	0.3
209.11967	0.2
277.21762	0.3
295.71011	0.1
316.16956	0.1
641.39063	0.1
841.37341	0.7
842.37476	0.2
847.49554	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.8
58.03783	1.8
59.01381	77.2
60.01728	0.9
69.03456	0.6
69.59103	2.8
69.59515	1.3
71.01389	24.7
71.06895	0.5
72.99306	1.5
73.02956	10.4
77.27728	0.5
79.05550	0.9
81.03471	1.9
83.01394	6.3
85.02968	3.0
86.14977	0.5
87.00895	1.3
89.02458	17.7
90.02750	0.7
93.03485	1.3
95.01411	1.5
97.03020	0.6
98.19874	1.1
99.04534	100.0
100.04874	2.2
101.02459	39.9
109.02965	0.6
111.00864	0.6
113.02466	11.6
113.06112	0.7
119.03511	7.4
123.04559	5.6
125.02469	36.6
126.02836	0.9
130.94807	0.6
131.03513	1.9
135.04582	0.8
137.02458	0.6
141.05621	1.3
143.03520	7.2
149.04584	5.0
151.00383	0.7
153.02005	0.7
161.04584	10.4
163.00328	1.0
167.03531	0.8
179.05647	4.8
185.06020	0.9
189.05692	0.8
191.05646	4.1
195.04404	0.6
203.05666	0.9
221.06664	4.1
227.03503	17.2
228.03888	1.2
229.05095	3.3
239.03529	0.7
255.02988	26.2
256.03561	4.2
257.04398	2.1
261.09888	0.6
261.13397	3.1
273.07819	1.5
274.68893	0.6
284.03275	26.9
285.04034	26.9
286.04459	2.6
301.03796	0.6
303.14505	8.7
304.14835	0.6
343.17676	3.8
361.18680	0.8
405.17664	75.0
406.18069	9.3
431.09869	34.5
432.10165	4.9
472.16254	0.6
562.28809	0.6
837.35492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.4
70.51411	0.1
73.02956	1.5
78.95905	0.3
84.01923	0.1
96.05002	0.1
98.19853	0.3
99.00920	0.3
99.92596	9.6
100.92605	0.4
100.93266	0.1
114.93453	0.7
116.92878	100.0
117.01958	3.1
117.92889	4.9
151.00372	0.4
178.99861	0.3
191.05666	0.1
229.56979	0.2
277.21884	0.1
424.94717	0.1
685.65649	0.1
839.41626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
67.01884	1.0
69.03465	0.3
71.01385	1.0
71.69965	0.3
81.03487	0.3
83.05016	0.2
85.02958	5.6
86.03253	0.2
87.00889	1.4
93.03470	6.5
99.00896	0.2
99.04530	0.5
109.02958	0.8
111.00893	0.4
111.04516	1.3
113.02455	0.3
113.93214	0.2
119.05055	0.7
123.04533	0.2
125.02409	0.2
127.04042	1.8
133.02960	1.5
134.03700	0.6
135.04544	12.7
136.04901	0.4
137.02461	1.0
137.82547	0.2
149.06093	0.6
155.03526	0.9
161.02477	2.9
161.22597	0.2
162.02861	0.2
163.04034	1.5
164.41324	0.2
171.02975	0.5
173.04567	17.3
174.04900	0.7
177.01949	0.5
177.65842	0.2
179.03513	11.4
180.03857	0.5
191.05624	100.0
192.05966	4.5
215.05690	0.2
215.48901	0.2
219.03036	0.3
237.04050	0.3
238.04593	0.2
325.09564	0.2
337.05777	0.5
337.09308	0.3
341.08838	0.3
351.07263	0.6
352.07721	0.7
353.08795	30.7
353.58878	0.5
354.09158	3.2
481.09821	0.5
499.10910	0.3
503.14120	0.3
622.66718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.05878	0.1
62.98534	0.2
70.26781	0.1
70.27174	0.1
73.33820	0.0
98.20560	0.0
169.03922	0.0
183.15350	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67905	0.2
59.01389	0.9
60.32140	0.2
61.98834	0.9
63.53622	0.2
65.03958	0.2
69.00924	0.2
69.37859	0.2
71.01385	1.1
71.25479	0.4
73.02979	0.5
81.03481	0.3
83.01398	0.8
83.05053	0.9
85.02966	0.6
87.00879	0.3
89.02458	0.3
89.03983	0.5
91.05585	0.3
93.03470	5.0
95.01387	0.3
99.00877	0.3
101.02443	0.6
105.03470	0.5
107.05044	1.3
108.02190	0.8
109.02955	1.4
111.04543	2.3
113.02494	0.4
117.03497	0.5
119.05071	0.4
121.02970	0.4
123.04552	0.4
125.02486	0.5
129.23517	0.2
132.02168	0.3
133.02983	6.3
134.03773	4.5
135.04553	100.0
136.04883	4.3
137.02466	4.7
138.02815	0.2
139.03996	0.2
149.02542	0.2
149.06090	0.2
151.04028	0.5
152.01204	0.3
155.03552	1.0
161.02473	18.8
162.02806	0.8
163.03937	0.4
173.04628	1.2
175.04100	0.3
177.01964	9.5
178.02422	0.4
179.03526	92.0
180.03853	3.9
191.05630	1.3
192.05949	0.2
193.05060	0.3
203.07162	0.2
226.88950	0.2
258.12155	0.2
291.08856	0.2
294.08911	0.3
300.03003	0.3
301.03314	0.2
317.06577	1.3
335.07745	39.7
336.08109	3.6
339.07166	0.4
377.08817	9.1
378.09177	1.0
379.99161	0.2
381.08234	0.3
407.09860	12.5
408.10315	1.4
435.09238	0.3
437.10904	38.1
438.11282	4.4
461.10880	0.3
467.11841	0.3
479.11917	1.0
497.13031	8.6
498.13477	1.1
837.26288	2.0
838.27313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.98835	100.0
62.98524	0.2
62.99260	0.1
71.01401	0.1
71.69829	0.1
78.95925	0.1
83.04331	0.1
85.02983	0.2
87.00893	0.1
93.03484	0.4
104.28864	0.1
109.03006	0.1
111.04573	0.1
116.92934	0.3
121.03039	0.2
135.04573	0.3
137.02493	0.2
147.04572	0.2
161.02438	0.2
165.01978	0.2
173.04636	0.4
173.78532	0.1
175.03987	0.2
176.37666	0.1
179.03590	0.2
191.05649	1.0
209.11870	0.2
309.07632	0.2
437.23621	0.2
463.21185	0.1
617.24475	0.2
645.22760	0.1
663.24878	0.1
769.43628	0.1
784.82898	0.1
836.42670	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.4
59.01381	8.3
61.98864	0.1
62.23601	0.1
65.47520	0.1
68.99827	0.1
69.03452	0.6
69.78355	0.1
70.59480	0.1
70.59847	0.2
71.01388	7.9
71.05027	0.3
72.01711	0.1
72.99312	0.7
73.02956	1.3
75.00869	0.2
80.02686	1.2
81.03465	1.7
83.01396	0.9
83.05035	5.6
84.02176	1.1
84.05359	0.2
85.02960	1.8
87.00887	1.8
87.04534	0.1
89.02455	6.9
90.02812	0.1
93.03458	0.5
95.01405	0.7
95.05033	0.8
97.02966	1.3
97.06600	0.2
99.00899	0.4
99.04536	0.2
101.02458	6.7
102.02811	0.1
107.05036	0.2
109.02969	0.2
109.06618	0.3
111.00913	0.2
111.04543	0.2
111.08176	0.1
113.02473	3.2
115.04010	0.2
119.02656	0.1
119.03529	1.7
121.03020	0.1
123.04556	0.2
123.08172	0.2
124.01650	0.1
125.02471	2.8
125.03411	0.2
125.06117	0.7
125.09707	0.2
127.04052	0.2
127.11380	0.1
131.03563	0.4
133.05051	0.2
135.08189	0.7
137.02490	0.2
139.04051	0.3
139.07654	0.1
141.01959	0.3
143.03517	1.2
145.02980	0.1
145.05064	0.2
147.08061	0.1
147.11819	0.2
149.04599	0.2
153.12874	0.1
161.04587	1.5
163.03986	0.1
163.11313	4.3
163.87564	0.1
164.11603	0.2
165.12877	2.6
166.13214	0.1
167.03511	0.2
171.03128	0.1
171.10287	0.6
173.04636	0.1
177.02090	0.1
179.03729	0.1
179.05626	2.1
181.12340	0.7
183.13858	0.1
185.04530	0.1
191.05632	0.3
191.10796	1.2
199.06061	0.1
199.13367	0.2
203.05627	0.1
207.10289	0.2
209.11844	100.0
210.12175	6.5
217.07188	0.3
219.05190	0.1
221.06703	0.9
221.11848	0.2
223.13301	0.1
225.11409	0.1
227.12900	15.4
228.13213	0.9
233.11664	0.1
235.08229	2.5
236.08487	0.2
236.84254	0.1
247.13411	0.5
249.14961	0.1
251.12843	0.5
252.13232	0.1
253.09151	0.4
259.08133	0.1
263.07706	0.2
265.14493	0.2
277.09393	0.1
287.07718	0.8
289.07047	0.1
305.08847	0.9
323.09848	0.6
324.10205	0.1
379.12445	2.7
380.12738	0.3
393.22989	0.1
397.13528	18.8
398.13861	1.8
401.23459	0.1
415.14572	5.1
416.14859	0.5
419.24451	0.2
427.19815	0.1
437.26044	0.1
573.42377	0.1
589.25153	0.4
607.26166	1.1
608.26239	0.2
625.26459	0.1
773.37775	0.1
781.36346	0.1
791.37006	0.1
799.37836	0.7
800.38098	0.2
817.39301	0.3
835.40265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.7
59.01384	28.7
61.98843	0.5
65.03957	0.9
69.03465	1.8
70.15382	0.4
71.01392	22.0
71.05028	0.7
72.99318	1.5
73.02951	3.1
74.88858	0.3
80.02701	2.7
81.03470	5.5
83.01415	2.3
83.05042	10.3
84.02184	1.6
85.02490	0.6
85.02966	5.0
87.00885	4.6
89.02463	16.7
90.02820	0.5
93.03481	2.6
95.01409	1.4
95.05048	1.9
97.02969	10.9
97.06612	0.9
98.03320	0.4
98.19746	0.6
99.00902	2.9
99.04519	0.5
101.02465	15.3
106.04263	0.4
107.05067	1.2
109.02972	1.2
109.06613	28.5
110.03759	1.6
110.06971	0.8
111.00925	0.5
111.04579	1.0
113.02473	8.2
114.02804	0.4
119.03523	4.0
121.02895	0.4
121.06628	1.8
123.04557	0.9
123.08189	0.9
125.02475	5.9
125.06118	1.0
125.09771	2.8
126.90472	0.9
131.03532	0.8
135.08167	4.7
136.05316	1.8
136.08501	0.4
137.02383	0.4
139.04022	0.9
141.01970	1.2
142.02756	2.2
143.03589	2.3
145.10275	0.8
149.04591	0.5
151.07724	0.5
161.04637	2.4
161.09747	2.3
163.11316	22.1
164.11632	1.2
165.12895	3.5
166.13145	0.4
171.10237	1.9
179.05672	4.1
179.10803	1.3
181.12372	4.7
181.30112	0.4
185.11847	1.8
187.09703	0.6
189.09238	1.6
191.05634	0.4
191.10838	1.5
199.13326	0.5
201.11285	0.6
201.12936	0.6
207.10294	76.7
208.10625	4.7
209.11856	100.0
210.12209	6.9
211.13396	0.4
213.09212	0.5
217.12386	1.1
221.06796	2.0
221.11922	0.9
223.13454	0.9
225.11345	36.2
226.11717	2.6
227.10686	0.7
227.12912	13.8
228.13246	0.9
229.36586	0.4
231.10243	1.2
235.08255	4.0
235.13370	0.6
243.12425	1.3
245.11845	0.9
247.13435	1.0
249.11298	1.7
249.34308	0.4
251.12845	0.4
253.09222	0.5
263.07797	1.0
263.12836	1.2
265.00507	0.4
265.14420	1.2
281.13889	0.6
287.07761	0.9
299.14948	1.4
305.08847	1.3
323.10034	1.0
355.22855	0.5
373.23975	0.8
379.12387	2.8
389.23416	0.5
397.13553	28.8
398.13870	2.8
399.21793	3.1
407.24518	0.5
415.14590	9.2
416.14804	0.5
417.22864	4.4
418.22974	0.9
435.23904	0.7
562.34863	0.4
605.24615	5.0
606.24927	1.0
607.25977	1.0
623.25739	7.1
624.26318	1.4
647.26251	0.5
653.31946	0.6
657.87488	0.4
771.35028	0.7
787.36957	0.6
789.35309	0.5
797.36273	13.1
798.37073	2.5
815.37335	16.7
816.37744	4.3
833.38336	30.8
834.38660	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	831.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.4
60.26944	0.3
62.96407	0.5
68.35109	0.3
70.62064	1.0
70.62455	0.6
71.01390	0.6
76.48226	0.3
78.95914	86.9
79.95744	0.3
80.96533	1.8
91.31421	0.3
96.96979	20.3
123.18591	0.3
125.02486	0.3
134.98552	1.3
141.01711	0.4
152.99617	23.5
153.99918	0.5
166.41850	0.3
167.26411	0.3
171.29085	0.3
191.05603	0.5
205.19611	0.3
223.00140	8.3
224.00406	0.3
232.97563	0.4
241.01204	36.3
242.01534	1.0
255.23306	63.8
256.23682	5.2
259.02222	2.5
259.20703	0.5
275.20285	0.6
277.21741	40.6
278.22098	3.9
297.03839	1.9
315.04889	0.9
382.92279	0.4
391.22559	6.8
392.22693	0.5
395.61969	0.3
409.23691	0.8
413.21088	1.2
434.20047	0.3
494.88983	0.3
553.27747	6.5
554.28180	0.8
571.28918	1.0
575.26477	1.3
595.15454	0.5
704.67322	0.3
763.31653	0.4
831.50500	100.0
832.50854	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.98781	0.3
63.02385	0.3
65.00333	0.3
66.47634	0.2
67.01883	0.3
68.90837	0.3
69.49580	2.5
71.06647	0.2
79.94930	0.2
83.01383	0.5
85.02941	0.8
87.00881	0.5
91.01845	0.3
93.03479	1.7
96.96048	0.2
101.02460	0.4
107.01401	0.9
109.02951	0.6
111.04499	0.4
117.03484	0.3
118.11639	0.3
121.03040	0.3
125.02459	0.7
128.69751	0.2
132.02133	0.4
133.03001	0.3
135.00874	0.8
135.04532	1.2
136.05341	0.4
137.02443	0.4
143.04997	0.5
151.00322	1.3
152.52327	0.2
153.01953	0.9
155.03528	0.3
157.06606	0.2
159.04486	0.5
160.19342	0.3
161.02487	0.3
163.00351	1.0
163.16541	0.3
165.01932	0.3
165.09233	0.5
169.06621	0.3
171.04504	0.5
173.04616	1.5
178.99866	0.3
179.03510	0.4
183.04509	0.7
185.06099	1.2
187.03961	1.4
189.05582	0.6
191.05630	4.5
195.04492	0.3
197.06107	0.5
199.04024	0.5
200.04909	0.3
211.04045	1.4
213.05539	0.5
215.03540	0.4
215.36636	0.3
226.64102	0.3
227.03505	28.7
228.03822	2.0
229.05061	4.5
239.03403	0.9
240.04314	0.4
241.05104	0.5
255.02982	41.8
256.03537	6.0
257.04568	2.8
267.02963	0.3
267.06470	0.4
272.09064	0.3
280.95483	0.3
284.03262	48.3
285.04022	50.4
286.04431	3.9
300.02591	0.4
301.03604	0.5
304.66269	0.3
327.05127	0.3
337.20212	0.3
353.08731	0.4
431.09839	100.0
432.10178	12.9
432.16251	0.5
445.08054	0.3
447.09048	0.3
589.07843	0.3
609.16089	0.3
719.74091	0.3
832.40637	0.5
833.25470	0.5
833.41388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	2.0
59.01383	42.5
61.98840	11.3
65.03972	1.6
69.03448	4.6
71.01389	39.0
71.11578	1.1
72.99322	3.6
73.02953	7.0
75.00875	1.7
78.95900	2.5
80.02689	2.2
81.03466	6.6
83.01389	6.2
83.05030	6.7
85.02962	10.8
87.00883	8.0
88.53735	1.1
88.98845	1.3
89.02451	22.3
93.03459	4.0
95.01365	1.7
95.05026	3.7
97.02962	15.4
97.06606	6.3
99.00890	3.8
99.92584	1.4
100.04076	1.2
101.01795	1.5
101.02453	23.4
107.05030	4.1
108.02183	2.6
109.02940	3.2
109.06607	45.1
109.07352	2.8
110.03700	2.2
110.06935	1.9
111.04525	2.3
111.79542	1.1
113.02452	11.3
116.92861	3.0
119.03493	4.8
121.02969	2.3
121.06614	5.3
123.04542	3.8
123.08208	2.7
125.02467	6.9
125.06103	1.7
125.09749	19.3
126.10104	1.3
126.90439	1.5
131.03558	1.5
133.06636	1.5
135.04495	2.1
135.08156	7.4
137.02467	1.6
140.41141	1.2
141.01880	1.7
142.02727	4.2
145.10291	1.2
158.08241	4.3
158.93881	2.5
158.99298	1.5
159.02992	2.2
161.02467	1.5
161.04510	4.0
161.05867	1.0
161.09744	4.4
163.11316	26.1
164.11600	1.6
165.12839	2.1
171.10281	2.5
175.02505	1.7
175.11215	3.7
179.05618	4.1
179.10753	2.2
181.12379	8.5
185.11761	2.4
187.09755	9.6
189.09285	1.6
191.05656	2.4
191.10773	3.3
191.14510	1.6
203.11014	2.5
207.10287	100.0
207.63358	1.3
208.10626	6.1
209.11852	26.5
210.12192	2.3
211.13451	1.5
219.10303	3.5
221.06697	5.7
223.09767	2.9
223.13336	2.5
223.72295	1.2
225.11336	53.7
226.11679	3.9
227.12961	2.4
229.37811	1.2
235.08224	4.0
235.13518	1.8
237.11299	3.3
243.12343	1.7
245.11868	3.0
247.09853	1.2
253.09248	1.5
255.23334	2.0
261.11307	1.8
263.12878	7.2
265.10757	1.3
327.19565	2.9
345.20667	1.7
353.17429	2.3
353.21228	2.4
369.20740	3.2
371.18500	3.9
371.22583	2.5
379.19150	2.2
387.21967	2.8
389.19540	5.1
397.13525	11.6
397.20093	4.0
405.22745	3.1
415.14682	6.8
415.21246	14.1
416.22018	1.3
433.22244	7.2
567.23492	1.4
605.24542	4.3
623.25439	6.8
657.05511	1.5
759.35095	2.5
769.32996	14.2
770.33600	3.2
785.35706	5.3
786.35968	1.5
787.34387	23.6
788.34399	5.7
795.34436	12.5
796.34607	3.8
813.35779	81.6
814.36066	21.4
831.36719	49.4
831.52222	2.7
832.37244	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	829.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.6
61.98840	6.2
69.03455	4.4
71.01396	6.6
71.71275	0.9
72.99336	0.8
73.02950	2.8
77.46803	0.8
78.95906	1.0
79.01914	0.8
81.03471	3.2
83.01390	9.1
85.02974	4.7
87.00882	1.7
88.98833	2.0
89.02461	2.7
93.03478	2.7
95.01416	5.0
96.96030	1.6
97.02968	5.6
99.00909	0.9
99.04541	1.2
101.02458	4.3
107.01401	2.2
108.02198	7.3
109.02998	5.9
110.47210	0.9
111.04530	1.4
113.02477	3.3
115.49232	0.9
121.02984	2.6
122.03732	0.8
123.00898	12.9
123.04521	1.0
124.01693	31.0
125.02470	97.0
126.02798	3.2
133.02966	1.3
134.03781	1.6
135.04529	4.6
136.01726	1.2
137.02469	8.7
145.02995	1.8
149.02457	1.4
149.99612	48.2
151.00401	6.4
151.04018	1.3
152.01160	8.2
153.01921	3.5
153.18082	0.7
155.03517	1.4
160.04109	1.0
161.02444	2.8
161.04587	1.2
163.03969	1.8
166.99799	0.8
167.03470	5.2
168.00665	95.3
169.01399	14.2
173.04565	2.7
175.04057	1.1
179.03548	4.1
181.05180	0.8
191.05627	6.0
193.01407	1.0
193.05090	1.6
271.02405	1.1
282.70367	0.8
285.04083	1.0
287.07797	2.9
301.03580	1.9
313.05649	9.1
315.07202	2.8
331.06705	13.7
355.07123	1.4
373.08032	1.9
399.12866	1.9
409.09454	0.9
829.31689	100.0
830.32068	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	829.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.5
60.01323	0.5
61.98835	3.1
67.76958	0.5
69.03463	1.1
69.38346	5.2
71.01387	7.9
73.02930	2.6
73.84034	0.4
81.03462	2.8
83.01398	12.9
85.02962	6.9
87.00887	0.8
88.40454	0.5
88.98853	0.5
89.02462	2.1
93.03445	3.0
95.01398	4.5
97.02972	0.7
99.00897	1.2
101.02472	4.5
107.05068	0.6
108.02192	95.0
109.02989	42.0
109.03542	0.6
110.03295	1.6
113.02484	2.9
121.02977	2.6
122.03805	0.8
123.00898	3.3
123.04556	2.4
123.08179	1.6
125.02465	6.7
128.30154	0.5
133.02956	1.1
134.03773	0.9
135.00916	1.4
135.04539	2.8
137.02484	0.7
137.09767	0.8
151.04048	2.8
152.01178	96.8
153.01970	40.1
154.02280	2.2
161.02475	0.6
161.04562	1.5
163.04034	2.6
163.11310	2.1
165.01974	2.8
172.05272	0.7
173.04501	1.1
173.06024	1.4
175.04070	0.6
177.01941	0.5
179.03539	1.4
181.05060	0.6
189.12903	3.1
191.05632	2.1
191.07188	1.0
207.13937	1.5
216.04309	1.8
217.05009	4.0
243.28716	0.6
295.05817	0.5
297.06097	1.1
300.02820	1.0
301.03436	1.1
315.07224	50.8
316.07590	3.4
333.15588	1.4
357.08255	13.2
375.50616	0.5
381.73950	0.6
397.11240	2.2
399.09390	1.9
418.59058	0.6
423.09396	1.9
433.07663	1.7
811.30048	1.0
829.31628	100.0
830.31964	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
63.02399	0.4
65.00321	0.9
65.76232	0.2
69.58064	0.9
69.58500	1.1
71.01381	0.5
82.38606	0.2
83.01405	0.7
85.03031	0.3
85.06567	0.5
87.00903	0.2
93.03474	0.6
107.01394	2.4
108.02184	0.8
109.02953	0.7
111.00821	0.2
111.04508	0.3
113.06078	0.3
121.03020	1.4
125.02483	0.4
131.07158	2.8
135.00916	0.4
135.04498	0.3
137.02452	0.3
148.01678	0.6
150.99164	0.5
151.00400	8.9
157.06563	0.2
159.04521	0.3
163.00424	1.7
163.04005	0.4
164.01180	0.3
169.01483	0.6
173.08221	0.8
178.99895	4.9
179.01468	0.3
180.00278	0.3
183.04608	0.3
187.03984	0.3
191.05614	0.4
192.00758	0.4
199.04103	0.4
203.03514	0.3
211.04010	0.7
215.03560	0.4
226.02715	1.1
227.03506	1.8
243.02991	5.9
244.03462	0.5
245.04532	0.9
254.02339	1.7
255.02991	18.1
256.03323	1.7
257.04648	0.3
270.01959	0.3
271.02472	35.7
272.02890	4.0
273.03922	0.7
283.02505	1.0
299.02078	1.1
300.02771	77.8
301.03470	33.9
302.03906	2.6
313.03516	0.3
343.04663	0.7
447.09442	0.5
609.14777	100.0
610.15088	19.3
624.39905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
57.66871	0.2
59.01375	0.9
59.57671	0.2
61.98825	1.8
63.02394	0.3
65.00335	0.6
71.01395	1.0
71.70336	0.3
73.02953	2.0
83.01384	0.4
85.02982	0.5
87.00921	0.4
89.02464	0.5
93.03479	0.6
95.01402	0.2
99.00891	0.4
99.92600	9.5
100.92632	0.5
107.01410	1.0
111.00913	0.4
113.02436	0.2
114.93427	0.6
115.00401	0.3
116.92883	100.0
117.01952	3.8
117.92894	6.1
119.03513	0.3
123.00904	0.3
124.01678	1.8
124.12060	0.2
125.02451	0.7
129.11578	0.2
135.04576	0.5
139.00392	0.3
141.02026	0.3
151.00404	4.3
152.01184	7.9
161.02440	0.7
162.03242	0.8
169.01447	0.5
172.30075	0.2
173.04536	0.8
178.99887	6.5
180.00185	0.3
189.01990	0.3
191.03960	0.3
191.05629	1.4
209.11858	1.9
210.12218	1.1
211.13512	1.3
211.42253	0.2
212.13817	0.7
227.12938	0.4
255.03201	0.3
271.02499	0.9
275.89441	0.2
285.04077	0.7
295.02515	0.3
296.03232	0.4
297.03958	0.7
299.02069	0.9
300.02460	0.3
313.03885	0.3
314.04367	2.2
315.04700	0.4
324.02911	0.3
325.03632	0.4
343.04459	0.2
343.15799	0.3
397.13864	0.3
451.17899	0.4
461.16199	0.5
667.15234	6.7
668.15625	1.2
674.11292	0.3
793.29590	5.1
793.43262	0.4
794.30157	1.3
803.27869	0.5
821.28888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
60.85980	0.1
61.98830	0.5
68.51508	0.1
69.77336	0.2
69.77746	0.6
71.01405	0.2
73.02951	2.9
75.00873	0.2
83.05046	0.1
84.44840	0.1
87.00895	0.2
88.98853	0.2
93.03477	0.3
99.00877	0.6
99.92596	8.6
100.92615	0.5
101.02490	0.1
111.04595	0.1
114.93439	0.5
115.00346	0.1
116.92879	100.0
117.01956	5.3
117.02814	0.2
117.22797	0.1
117.92883	5.4
121.02917	0.1
135.04529	0.2
137.02502	0.2
161.02466	0.2
173.04517	0.2
177.92802	0.1
191.05591	0.7
209.11882	0.5
268.06241	0.1
299.02191	0.1
336.47577	0.1
669.66388	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01382	2.0
65.03970	0.6
67.01888	0.4
69.46591	1.0
69.47027	1.1
71.01389	2.2
73.02960	2.1
81.03463	0.8
82.55019	0.2
83.01357	0.2
83.05038	2.6
85.02962	1.7
87.00876	0.8
89.02454	1.0
89.04002	0.3
91.05540	0.4
93.01207	0.2
93.03470	14.9
94.03822	0.6
94.61169	0.3
95.01414	0.5
99.00906	0.9
99.04532	0.9
99.62267	0.2
101.02462	1.6
105.03458	0.3
105.57600	0.2
107.05057	0.8
108.02209	0.3
109.02983	1.0
111.04546	6.4
113.02478	0.8
117.03508	0.4
121.02962	0.3
123.04506	0.3
125.02470	0.3
127.04030	0.2
131.03534	0.6
132.02182	0.5
133.02982	13.0
134.03854	3.1
135.04549	73.5
136.04875	3.6
137.02469	7.0
139.00418	0.3
139.03996	0.3
143.03543	0.4
145.02956	0.3
152.01201	0.3
155.03514	3.4
161.02467	53.7
161.07167	3.9
162.02815	3.2
162.07529	0.3
163.03979	0.4
173.04570	4.7
173.06021	0.5
175.04025	0.3
175.07515	0.3
175.08807	1.0
176.04797	0.3
177.09161	0.6
178.02632	0.4
179.03520	68.5
180.03862	3.9
187.07634	0.5
189.06725	7.3
190.07080	0.5
191.05641	7.4
192.05977	0.4
203.08328	1.8
205.08714	1.0
208.03864	0.3
212.69035	0.2
221.06718	0.3
223.06152	0.9
224.06477	0.3
231.10234	0.4
249.11279	1.3
273.07843	0.3
287.09183	0.3
291.08813	0.6
293.10562	0.3
305.11395	0.6
335.07733	100.0
336.08090	9.6
415.12112	0.3
452.77475	0.3
467.15677	1.5
485.17682	22.5
486.18091	3.7
487.18402	1.0
612.86371	0.3
654.66901	0.3
803.24872	0.5
822.25830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98538	0.2
71.27206	0.1
74.53910	0.1
80.96539	0.2
83.05013	0.1
94.07301	0.1
101.01857	0.1
107.19491	0.1
116.63217	0.1
158.93463	0.1
159.61444	0.1
173.12454	0.1
209.11835	0.4
210.12263	0.3
211.12448	0.1
228.70105	0.1
277.21802	0.3
278.22110	0.3
279.22391	0.1
289.18115	0.1
293.21341	0.2
307.19324	0.1
463.38138	0.1
560.93439	0.1
819.42719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01362	1.1
59.26130	0.7
61.98831	15.1
63.02404	3.6
65.00336	6.9
68.89191	0.6
68.99818	0.8
71.01371	1.7
71.72186	1.1
75.00916	0.7
78.95905	0.8
80.96520	1.6
83.01403	5.3
87.00873	0.9
89.05975	0.7
93.03469	1.3
95.01408	2.4
96.36131	0.6
99.96078	0.7
107.01402	10.8
109.02957	1.0
111.00908	2.8
116.92844	1.5
117.03551	0.8
123.00900	3.0
124.01680	23.4
125.02486	5.4
133.03032	1.1
137.02481	1.0
139.00412	2.7
141.01973	2.9
151.00391	42.6
152.01176	100.0
153.01506	4.4
153.65102	0.7
160.01685	1.0
161.02487	6.2
162.03246	5.6
163.03984	2.0
169.01434	7.2
173.02448	0.8
173.04637	0.8
174.03241	1.6
175.04012	0.8
177.01875	1.0
178.99878	81.1
180.00240	4.3
188.01064	1.2
189.01935	3.1
190.02750	2.8
191.03535	3.2
191.05627	2.6
192.00679	1.1
193.01482	1.5
203.03380	1.0
205.01578	0.9
209.11827	1.4
217.01491	0.9
227.03683	1.3
239.03517	0.9
241.79451	0.8
243.03006	1.6
255.02823	1.0
257.04532	1.2
267.03030	1.2
268.03604	0.8
269.04639	2.1
271.02441	6.6
272.03018	1.0
279.03006	1.1
280.03748	1.1
281.04785	1.6
285.04074	6.3
292.10846	0.7
295.02490	3.4
296.03278	4.2
297.03998	6.8
299.01944	8.3
300.02582	3.4
313.03519	1.2
314.04327	27.2
315.04962	2.4
324.02789	5.5
325.03592	3.9
329.17810	1.1
341.02975	0.9
342.03958	2.4
343.04623	1.2
348.02844	2.3
359.18845	1.2
371.18820	2.4
447.13538	1.1
461.19525	0.8
479.20847	2.6
489.19138	4.1
493.18958	1.6
496.20944	1.5
497.22018	1.9
507.20074	1.3
637.14203	68.0
638.14563	12.2
791.31567	63.4
792.31812	16.1
801.29913	4.9
802.29816	1.2
819.30646	11.1
820.31769	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	818.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.1
60.10381	0.1
61.98835	100.0
71.01398	0.1
71.69975	0.1
78.95953	0.1
80.96510	0.1
83.01414	0.1
88.98849	0.1
93.03471	0.1
96.96011	0.1
116.92892	0.1
124.01734	0.1
137.02467	0.1
137.19089	0.1
151.00412	0.2
152.01172	0.3
156.39946	0.1
173.04543	0.1
178.99942	0.2
191.05588	0.1
197.11838	0.2
197.15506	0.1
198.12289	0.1
209.11923	0.3
210.12135	0.1
271.02481	0.1
293.14041	0.2
463.09061	0.1
591.03455	0.1
630.81683	0.1
637.14209	0.3
665.12592	0.1
791.32062	0.2
818.28912	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
61.98834	100.0
62.98536	0.2
71.71941	0.2
71.72342	0.1
78.95950	0.1
88.98843	0.1
93.03471	0.1
103.22534	0.1
125.02480	0.2
125.13946	0.1
133.03000	0.1
133.40331	0.1
151.00410	0.3
152.01190	0.3
161.32138	0.1
173.04617	0.1
178.99936	0.3
191.05682	0.3
197.11906	0.2
201.51675	0.1
202.02386	0.1
209.11880	0.2
210.12247	0.1
211.13036	0.1
271.02353	0.1
273.68903	0.1
293.13989	0.4
295.02502	0.1
439.60434	0.1
463.08792	0.1
627.23218	0.1
637.14624	0.2
665.13385	0.1
791.32037	0.3
818.29010	0.4
818.50433	0.2
819.29828	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01376	2.2
61.98820	0.9
65.00318	1.3
67.01895	0.9
69.03463	0.6
71.01383	1.7
71.70602	0.6
71.70965	0.7
83.01413	0.9
83.05020	0.8
85.02964	7.0
87.00891	2.3
93.03477	6.5
96.95980	0.5
99.04546	0.4
102.98653	0.5
107.01399	2.8
108.02163	0.8
109.02985	2.4
111.04517	2.1
119.05045	0.5
121.02937	2.3
123.04543	0.8
125.02446	1.5
127.04028	2.0
133.02983	2.6
134.03749	1.6
135.04547	26.2
136.04883	1.2
137.02464	1.7
149.02480	0.7
151.00398	11.8
151.03986	0.6
152.00818	0.5
153.01950	1.0
155.03508	1.4
161.02473	3.8
161.06131	0.7
163.00375	2.0
164.01169	0.6
169.01465	0.9
171.03059	0.6
173.04582	12.8
174.03262	0.5
174.04875	0.9
175.04015	1.0
177.01909	1.3
177.31973	0.4
178.99922	5.3
179.03520	21.1
180.03862	1.7
188.69417	0.5
191.05635	100.0
192.05988	4.1
201.01880	0.6
211.03981	0.6
226.02719	0.8
227.03497	1.0
229.05145	0.7
243.03004	5.2
244.03508	1.0
245.04564	0.5
254.02209	1.3
255.02983	13.0
256.03415	1.4
271.02487	27.6
272.02914	3.2
273.04022	0.5
283.02451	1.0
299.02023	3.2
300.02771	60.5
301.03491	35.2
302.03870	3.3
341.02899	1.1
353.08810	36.2
354.09155	3.7
447.09137	0.5
461.05597	0.6
462.06305	0.7
463.08847	68.0
464.09235	8.9
493.15988	0.5
625.11456	2.0
671.13013	2.3
817.18463	7.0
817.32135	0.8
818.18994	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	816.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
59.12523	0.1
61.98833	100.0
69.57663	1.0
69.58071	0.3
72.99315	0.2
78.95920	0.9
80.96530	0.2
82.96484	0.2
87.57301	0.1
93.03507	0.2
95.91622	0.1
96.97015	0.2
98.20650	0.3
116.92912	0.4
152.99657	0.2
171.10379	0.3
207.10278	0.2
208.10738	0.2
209.11969	0.2
241.01237	0.4
242.01419	0.2
255.23311	0.3
256.23764	0.2
277.21814	0.3
278.22070	0.2
291.19638	0.3
712.96283	0.2
735.78125	0.2
798.42242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01381	2.7
60.99311	0.6
61.98827	0.6
63.02417	0.7
64.53416	0.5
65.00340	1.9
67.01884	0.7
68.15454	0.5
69.03442	0.6
71.01391	1.4
81.03458	0.7
83.01398	2.0
85.02962	7.6
87.00882	2.0
89.02471	1.0
93.03471	7.4
96.95985	0.7
98.19811	0.9
99.04570	0.7
107.01422	3.9
107.05045	1.0
108.02190	1.2
109.02979	3.2
111.04535	2.7
121.02979	1.9
123.04555	0.9
125.02470	1.2
127.04029	2.2
133.02982	3.1
133.05074	1.0
134.03770	4.9
135.04549	56.2
136.04874	2.9
137.02483	1.8
148.01746	0.7
151.00381	11.6
151.04019	0.7
152.00851	0.8
153.01971	0.8
155.03537	2.0
159.04558	0.7
161.02470	5.4
163.00386	2.2
163.04008	0.8
169.01495	0.8
171.03030	0.6
173.04588	8.1
175.04095	0.7
177.01936	1.2
178.99956	6.9
179.03522	42.0
180.03862	2.0
191.05629	100.0
192.05943	4.1
203.03528	0.7
204.87076	0.5
211.03984	0.6
216.03813	0.5
226.02696	0.8
227.03470	1.6
229.62415	0.7
237.42175	0.5
243.02989	5.2
244.03441	1.1
245.04550	1.2
254.02243	2.2
255.02975	16.4
256.03445	1.6
271.02472	36.2
272.02884	4.3
273.04022	0.8
282.04977	0.7
283.02319	0.9
283.08600	0.7
284.03049	0.7
299.01974	3.0
300.02762	75.8
301.03488	42.0
302.03940	3.2
335.07700	0.6
339.04990	0.8
351.07330	0.8
353.08801	63.9
354.09113	6.3
435.07278	0.9
453.07547	0.7
460.04303	0.7
461.05371	1.3
462.05591	0.6
463.08835	65.6
464.09079	8.5
607.10602	1.1
623.10712	0.8
624.10614	0.8
625.10614	2.4
626.11694	0.8
627.41937	0.5
799.16681	1.2
817.18378	15.1
818.18719	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	816.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
61.98835	100.0
62.98526	0.1
63.92468	0.1
69.82542	0.2
69.82969	0.3
71.01411	0.1
73.12656	0.1
76.77062	0.1
80.96537	0.3
88.78373	0.1
88.98858	0.1
89.02477	0.2
93.03484	0.2
106.87068	0.1
109.06584	0.1
117.14002	0.1
126.45898	0.1
135.04546	0.1
139.00383	0.1
141.01726	1.8
173.04669	0.1
191.05688	0.4
197.11832	0.2
207.10373	0.1
209.11827	0.2
215.11450	0.1
277.21695	0.2
339.39731	0.1
353.63190	0.1
359.22192	0.2
397.13712	0.4
419.11740	0.1
464.27496	0.1
697.35126	0.1
816.50806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24143	0.1
59.01366	0.1
61.98835	100.0
62.98542	0.2
69.63303	0.1
80.96519	0.3
93.03489	0.3
98.19854	0.2
111.04510	0.1
116.92860	0.2
133.03014	0.2
144.33142	0.1
173.04578	0.9
191.05669	0.3
209.11891	0.1
210.12164	0.1
215.16614	0.1
269.96701	0.1
287.05722	0.1
291.19211	0.1
345.96439	0.1
642.30798	0.1
782.29120	0.1
816.50684	0.1
845.79199	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.3
59.01385	4.0
61.98839	0.7
71.01387	2.7
71.51976	0.4
72.99316	0.2
73.02970	0.5
78.95924	0.7
80.02709	0.8
81.03475	1.0
83.01394	0.5
83.05035	4.0
84.02174	0.6
85.02962	0.8
87.00887	0.7
89.02459	1.9
95.01408	0.2
95.05058	0.5
96.02760	0.2
96.96967	0.2
98.63615	0.2
101.02463	1.9
109.06607	0.3
111.37916	0.2
113.02502	1.2
118.88515	0.2
119.03509	0.3
124.60212	0.2
125.06129	0.4
135.08188	0.4
143.03516	0.3
145.05069	0.4
146.72435	0.2
161.04596	1.3
163.11293	3.0
165.12863	1.9
171.10281	0.4
179.05704	0.6
181.12349	0.5
191.10800	0.7
209.11847	100.0
210.12177	6.6
227.12894	12.4
228.13246	0.8
230.16197	0.2
235.08244	3.7
253.09296	8.1
254.09830	0.4
259.15518	0.2
277.21725	74.6
278.22086	8.6
445.20795	3.4
446.20941	0.4
463.21347	0.4
513.30573	1.1
514.30151	0.3
533.68622	0.2
551.24658	0.2
610.27222	0.2
666.07501	0.3
797.40784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98851	13.9
71.01403	12.1
71.70061	13.7
79.95752	16.1
80.96530	100.0
93.91500	7.4
94.98094	30.9
123.62801	7.0
148.99171	9.4
164.98616	19.7
225.00771	33.7
246.43701	8.9
608.31348	8.6
815.50458	78.0
816.50690	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.05878	0.1
62.98536	0.2
70.62188	0.2
71.01414	0.1
75.00909	0.1
98.20222	0.1
101.65013	0.1
109.06642	0.1
137.86006	0.1
163.11362	0.1
173.04607	0.1
191.05618	0.1
207.10312	0.1
208.10651	0.2
210.12305	0.1
225.11429	0.1
226.11726	0.1
270.97699	0.1
290.18646	0.1
754.41321	0.1
815.50958	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09307	0.1
59.01387	0.2
60.99311	17.6
61.98833	3.3
64.30819	0.1
71.14848	0.1
78.95914	0.2
87.00891	1.1
88.00417	2.5
88.01221	0.2
88.98819	100.0
89.02452	11.0
89.99154	1.1
152.24086	0.1
159.38924	0.1
207.10286	0.2
209.11845	2.0
227.12798	0.2
254.73164	0.2
271.39755	0.2
277.21786	1.2
278.22119	0.2
512.01489	0.1
607.99957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	1.1
59.01368	0.7
65.00333	0.3
67.01905	0.3
70.03002	0.6
70.27891	1.5
71.01389	0.7
72.00906	0.6
73.02957	0.4
83.01396	0.3
83.54864	0.3
85.02956	0.8
91.05563	0.6
93.03471	1.8
101.02464	0.3
107.01389	0.6
109.02966	0.6
111.04544	0.4
117.03481	3.1
119.05022	0.4
121.03025	0.3
123.04611	0.3
125.02452	1.1
133.02959	0.4
135.04541	1.2
137.02441	0.7
143.32219	0.3
147.04549	4.4
149.02484	0.9
151.00414	1.9
152.01112	0.3
152.03476	0.3
161.02449	1.6
163.03995	0.9
164.07219	6.4
165.07590	0.5
169.01541	0.6
173.04570	1.7
173.05983	0.5
175.03983	1.1
177.01976	0.3
177.05597	0.8
177.47899	0.3
178.98445	0.4
178.99847	1.9
179.03577	0.8
189.02029	0.4
189.05568	0.3
191.03586	0.9
191.05630	4.4
193.01408	0.3
197.18224	0.3
203.01727	0.3
203.03477	0.9
205.05229	0.4
206.08247	9.7
207.08553	0.9
207.46455	0.3
215.03534	0.4
224.08397	0.4
227.03395	0.3
237.05528	0.5
242.15407	0.3
245.04428	0.5
251.03401	0.3
253.08615	0.5
255.06715	0.4
258.48337	0.3
265.05109	0.6
267.06625	0.7
268.07333	0.9
279.06726	0.4
280.03699	0.3
281.04562	0.7
282.05307	1.0
283.06030	1.9
293.08118	0.3
295.06107	2.6
296.06827	2.1
297.04340	0.7
297.07712	12.2
298.08020	1.2
307.06088	1.3
309.07651	1.7
311.05518	2.0
323.05600	2.8
324.06116	0.3
325.07214	4.5
326.07339	0.4
328.05997	1.8
335.05646	1.1
337.07159	1.8
350.22321	0.4
353.06674	29.7
354.07040	3.1
355.08524	0.6
356.05304	0.4
365.06674	4.2
366.07239	0.6
383.07733	22.5
384.08157	2.4
395.07639	1.5
407.07541	0.5
413.08752	2.3
414.09531	0.5
425.08813	2.5
426.09259	0.7
443.09915	3.1
461.05597	0.7
473.10992	4.3
474.11066	0.5
503.12036	2.2
511.78461	0.3
563.14124	100.0
564.14496	16.4
597.13074	0.4
623.10663	1.9
641.11615	0.4
742.18066	0.4
815.16705	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	813.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.9
59.01382	14.0
61.98829	3.4
62.27583	0.3
65.00330	0.7
68.99833	0.5
69.03455	1.0
69.73167	1.9
71.01388	9.6
73.02950	3.1
81.03470	2.6
83.01398	14.1
83.05042	0.6
85.02962	7.7
87.00880	0.6
88.98833	0.4
89.02441	2.0
93.03468	3.0
95.01405	4.5
97.02973	0.8
99.00895	1.3
99.04549	0.6
101.02462	5.2
107.01449	0.7
107.05053	0.3
108.02193	100.0
109.02991	41.2
109.03548	0.5
109.03790	0.6
110.03305	1.5
111.04532	0.5
113.02465	4.1
116.92902	0.5
119.03520	0.5
119.05078	0.4
121.03023	2.1
123.00928	2.8
123.04544	1.8
125.02467	7.1
133.02974	1.6
134.03790	0.8
135.00926	0.8
135.04567	1.8
136.01683	0.5
137.02484	1.0
151.04010	3.8
152.01180	99.2
153.01970	40.9
153.02882	0.3
153.03313	0.7
154.02318	1.8
161.02449	1.0
161.04570	1.8
163.04008	3.4
165.01938	3.5
172.05243	1.1
173.04565	1.1
173.06096	1.0
175.04037	0.8
177.01967	0.8
179.03566	0.9
181.05020	0.4
191.05624	2.0
191.07219	1.2
193.05109	0.7
195.02988	1.0
207.02934	0.4
209.15587	0.4
216.04294	1.7
217.05034	4.0
225.04015	0.7
271.02249	0.5
297.06131	1.3
300.02856	0.8
301.03329	0.7
315.07220	47.7
316.07584	4.3
357.08279	11.8
357.12741	0.5
358.08618	1.0
379.10260	0.8
397.11523	2.3
399.09189	1.8
423.09561	2.0
433.05197	0.4
738.30798	0.4
795.31598	1.0
813.32104	93.1
814.32520	25.9
814.48694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84734	0.1
59.01382	0.3
60.99310	17.2
61.98840	0.9
65.46903	0.2
69.72089	0.1
69.74114	0.6
69.74546	0.5
83.00182	0.1
87.00890	1.2
88.00414	2.3
88.98818	100.0
89.02451	12.3
89.99142	1.0
90.02805	0.2
94.16061	0.2
98.19909	0.3
98.58048	0.1
109.06618	0.2
120.85114	0.2
207.10271	0.4
209.11807	1.2
227.12901	0.2
277.21750	2.6
278.21997	0.3
410.37808	0.2
546.96442	0.2
645.26196	0.2
760.29010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01380	7.9
60.67971	0.2
61.98819	0.4
63.51600	0.2
65.00337	0.7
70.98866	0.7
71.01398	0.6
73.02956	0.3
83.01399	0.9
85.02942	0.5
85.06606	2.7
87.00906	0.3
88.11558	0.3
89.02446	0.5
93.03490	0.8
95.05043	1.1
96.96068	0.3
97.02962	1.5
99.04516	0.5
101.02451	0.5
107.01416	1.3
108.02192	1.3
109.02985	2.1
113.02457	0.3
113.06106	2.7
115.92072	0.3
121.02956	0.6
125.02468	0.5
131.07167	19.6
132.07498	0.6
135.00946	0.3
135.04526	0.5
136.01654	0.3
137.02463	0.4
139.04028	3.4
143.42815	0.3
148.01709	0.9
151.00403	4.5
153.01970	2.6
154.02405	0.3
163.00421	0.6
163.04112	0.4
164.01202	0.6
165.01958	1.1
169.01431	0.3
170.65967	0.3
171.21242	0.3
173.04584	0.9
173.08218	6.4
174.08539	0.4
177.89639	0.3
178.99881	2.8
179.03503	0.5
182.02335	0.4
183.03003	5.7
191.05655	1.3
192.00681	0.4
199.03987	0.3
211.04022	0.3
215.03493	0.4
216.04498	0.3
226.02760	0.8
227.03578	1.7
239.03558	0.3
241.01437	0.3
243.02983	7.1
243.57899	0.3
244.03528	0.9
254.02304	1.5
255.02989	19.6
256.03391	1.7
271.02475	44.9
272.02881	5.2
273.03934	0.4
283.02499	1.1
299.02048	1.9
300.02768	100.0
301.03253	14.6
302.03903	0.5
309.00543	0.4
319.04724	1.4
320.05042	0.4
327.05151	0.3
345.08319	0.3
432.04642	0.6
433.05682	0.8
459.03915	0.6
463.08896	0.3
467.15268	0.4
493.22656	0.6
595.13098	97.2
596.13416	17.3
621.08478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
59.01084	0.8
59.01380	15.2
61.86446	0.3
61.98833	1.5
64.87244	0.4
65.00314	1.0
69.03459	1.2
69.83475	0.3
69.84576	2.3
71.01385	10.4
71.83913	0.4
72.99314	1.0
73.02957	3.2
81.03471	2.7
83.01396	11.3
85.02966	6.8
87.00890	0.5
88.98815	0.5
89.02453	3.4
93.03475	2.0
94.70984	0.4
95.01396	3.7
97.02973	0.9
99.00908	1.0
99.04528	0.6
101.02457	4.8
107.01406	0.6
107.05037	0.8
107.74528	0.3
108.02188	94.1
109.02983	43.0
109.03757	0.5
110.03304	1.2
111.04544	0.4
113.02445	2.7
119.03506	1.0
119.05052	0.5
121.02975	2.6
123.00877	3.1
123.04539	2.4
125.02469	7.9
127.04128	0.5
133.02994	1.6
134.03735	0.8
135.00920	0.9
135.04524	2.3
137.02486	0.7
137.09747	2.7
151.04041	2.6
152.01173	100.0
153.01965	37.5
154.02284	1.6
161.02531	0.7
161.04590	1.8
163.04030	3.0
165.01942	3.1
171.06017	0.4
172.05318	0.9
173.04570	0.8
173.06058	1.0
175.03963	0.6
177.02019	0.8
179.03503	1.0
181.05016	0.6
189.12918	0.4
191.05614	2.6
191.07198	1.0
193.04814	0.3
195.02997	1.0
216.04378	2.1
217.04988	3.2
225.04071	0.6
253.90456	0.4
276.72528	0.4
297.06238	1.0
315.07211	48.0
316.07541	3.8
346.39230	0.4
357.08282	11.6
358.08664	1.0
376.90964	0.4
379.10352	0.7
397.11288	3.0
399.09317	2.4
423.09351	1.9
459.11414	0.6
561.14807	0.9
621.17114	2.3
793.29333	0.5
811.30554	95.2
812.30933	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	811.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.6
59.01384	26.9
61.98823	2.0
67.01878	0.9
69.03449	1.7
71.01393	10.1
71.05049	0.7
71.70325	0.6
71.70740	0.8
72.99313	1.6
73.02959	2.2
78.95893	0.7
80.02689	2.4
81.03468	5.7
83.01399	3.6
83.05025	4.9
84.02184	0.8
85.02966	2.7
87.00887	2.8
88.04031	0.6
89.02460	5.0
93.03482	1.8
95.05038	3.0
96.97007	0.6
97.02973	8.7
97.06610	4.4
99.00888	1.8
101.02461	7.9
101.75332	0.5
106.04266	1.3
107.05061	1.3
107.61822	0.6
109.02942	1.2
109.06612	37.9
110.03725	1.9
110.06950	0.9
111.00866	0.8
111.04589	0.7
113.02501	4.2
115.07704	0.5
119.03522	1.4
119.04968	0.7
119.08674	0.7
121.06612	3.3
123.04528	4.1
123.08184	1.7
125.02476	1.7
125.06139	1.1
125.09756	7.7
129.02032	0.6
135.08173	5.6
135.97353	0.6
136.05312	1.8
137.09743	2.2
141.12833	1.0
142.02760	2.9
143.03418	0.8
144.54836	0.7
145.05107	1.3
149.06139	0.9
149.09776	0.9
151.11304	0.8
159.08112	0.6
161.04604	3.2
161.09741	3.0
163.07693	0.8
163.11317	25.7
164.11670	1.4
165.12848	1.2
167.10780	0.8
167.32347	0.6
171.10315	0.7
173.04657	0.7
175.11375	0.7
177.12988	0.7
179.05666	1.1
179.10843	1.3
181.12366	5.4
181.20433	0.6
185.11874	7.3
187.09781	0.9
189.09245	2.7
191.05583	2.3
191.10803	1.7
191.14494	5.4
193.12469	1.0
207.10291	100.0
208.10666	6.4
209.11856	21.7
210.12166	1.4
211.13501	1.2
217.16023	0.8
221.11781	1.0
223.13504	1.3
225.11346	39.2
226.11714	2.7
235.08238	5.8
237.11348	2.1
245.19148	10.8
246.19582	1.3
247.13481	0.7
249.14978	0.8
253.09288	14.8
263.20190	2.1
265.14694	0.7
271.17075	2.2
287.16422	1.2
289.18106	37.6
290.18396	4.2
299.15012	1.4
305.17621	2.4
307.19159	41.4
308.19522	4.4
329.17896	1.1
345.20825	1.2
381.20810	1.0
399.21811	4.1
417.22955	2.8
443.19293	3.7
461.20221	11.8
462.20599	1.0
479.28125	2.2
497.28864	6.2
498.29288	1.0
515.30261	2.2
543.27826	1.4
547.47644	0.6
569.29791	0.9
571.33057	0.8
597.30096	0.8
609.29449	1.6
611.30835	1.1
635.30859	7.5
636.30914	1.4
653.31744	3.1
654.32568	1.0
715.37170	3.1
716.37927	1.1
733.38348	10.1
734.38556	3.6
751.39398	32.9
752.39655	9.8
776.21454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5054
Annotation	Ulongapeptin
Peak:m/z	Relative Intensity
59.01354	1.3
61.98830	6.5
69.03459	1.5
71.70261	0.8
71.70724	1.5
78.95910	58.8
84.02168	1.9
96.96970	3.8
97.06589	1.4
99.08174	7.8
115.92139	1.1
116.92878	1.3
121.10247	1.5
125.02220	1.0
125.09717	1.2
137.09778	1.4
150.98032	1.5
152.99609	70.0
153.99977	2.3
171.00621	6.4
171.10295	20.5
178.40999	1.2
193.12337	12.1
194.12653	1.9
211.13425	4.0
225.14980	18.9
226.15327	2.3
227.03281	5.2
243.16000	9.0
253.21693	17.6
254.22064	1.8
255.23285	22.6
256.23569	2.7
262.21475	1.2
293.21130	2.1
341.23276	5.6
342.23636	1.4
343.24908	39.1
344.25342	3.8
479.23969	5.5
553.27679	3.9
570.27747	1.6
571.19501	1.8
571.28864	65.1
572.29175	9.7
807.50616	100.0
808.50909	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
57.95559	0.2
59.01383	20.7
60.99312	0.5
61.98517	0.2
61.98838	0.6
63.00614	0.2
71.01397	1.1
74.75877	0.2
83.01399	1.1
83.05019	0.5
85.02993	0.4
88.98827	1.6
89.02454	0.8
91.04021	0.9
91.17342	0.2
93.03452	0.5
96.96030	0.2
98.08086	0.2
101.02464	0.4
107.01383	0.2
108.02215	0.4
109.03041	0.3
111.08173	0.7
113.02475	0.2
125.02443	0.5
125.09738	0.4
135.04539	0.5
135.08244	0.4
137.08733	0.4
137.09750	8.0
137.10805	0.4
138.10075	0.4
148.01733	0.3
151.00406	1.1
151.04019	0.2
153.09280	0.4
155.10803	66.4
156.11121	3.1
171.10287	15.1
172.10628	0.7
173.04585	0.4
178.99846	0.3
181.08728	2.7
182.09129	0.3
191.05673	0.8
199.09776	15.1
200.10158	0.9
217.10820	26.3
218.11134	1.5
229.43829	0.3
241.10825	0.4
255.02972	1.5
255.05309	0.2
256.03296	0.3
259.11804	0.5
270.05908	0.7
271.02518	4.1
271.05991	0.4
272.02945	0.3
273.13431	8.2
274.13785	0.6
285.03940	0.5
291.14490	44.1
292.11938	0.3
292.14868	3.4
295.10339	0.4
300.02765	5.2
301.03531	2.8
302.03903	0.3
313.11453	0.7
333.15555	100.0
334.15891	8.5
361.14822	0.3
377.22147	0.3
433.07761	4.3
434.07965	0.8
449.11145	0.4
465.08203	0.3
477.51074	0.2
760.68835	0.2
808.00916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
60.39087	0.8
61.44824	0.9
61.98838	3.7
67.73114	0.8
69.03448	1.4
69.52862	4.6
69.53277	2.0
78.95913	61.1
81.03498	0.9
83.04996	1.0
84.01688	1.0
84.02167	6.5
86.36163	0.8
96.96961	5.2
97.02980	2.1
97.06599	10.1
99.04519	2.2
109.06588	1.2
125.09747	1.8
137.09709	2.1
150.74393	0.7
150.98062	1.8
152.99612	76.4
153.99951	1.0
171.00687	6.7
171.10297	24.7
172.10634	1.5
183.13942	1.8
193.12358	13.4
194.12627	0.8
197.11852	0.9
199.09842	1.4
207.10225	1.8
209.11816	2.8
211.13332	4.7
221.11877	1.2
225.11406	1.8
225.14977	19.1
227.03242	6.4
230.27641	0.8
241.14484	0.9
243.16043	8.8
245.04262	2.5
253.14539	2.0
253.21716	24.4
254.22028	1.4
255.23167	1.7
291.19586	3.0
323.22055	0.7
341.23358	41.0
342.23654	3.0
453.15225	1.6
455.16751	1.0
471.16275	1.2
477.22681	5.8
483.27249	0.9
551.26172	5.8
569.27405	82.5
570.27686	11.0
676.94232	0.8
691.38458	1.6
707.38177	3.7
805.48962	100.0
806.49249	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	805.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
59.01371	2.7
61.98824	9.1
63.02409	11.9
65.00333	22.1
69.91029	4.8
70.77544	0.9
71.01391	2.6
73.02939	1.8
83.01405	14.2
85.02985	1.4
87.00892	1.0
88.98835	1.7
93.03474	1.9
96.96037	1.1
99.92573	2.8
101.02454	1.2
107.01409	30.7
109.02968	1.6
111.00870	1.2
114.93446	2.4
116.92893	16.7
117.92879	1.9
121.02929	1.0
124.01685	8.8
125.02480	14.2
133.02965	1.8
134.89505	66.0
135.04526	2.2
135.89455	3.1
139.00381	1.6
145.02975	2.1
149.02477	1.1
151.00404	100.0
152.01201	34.4
153.01949	6.4
161.02477	21.3
162.03270	9.9
163.00371	2.2
163.04047	2.4
165.01939	1.6
169.01445	19.7
174.03250	2.8
175.04045	0.9
178.99896	71.5
180.00212	2.7
181.01506	1.1
187.04065	1.2
188.01138	3.8
188.04836	1.3
189.01985	6.0
190.02736	9.3
191.03514	4.6
191.05577	2.6
193.01393	2.9
196.05307	0.9
197.11806	1.2
198.03207	1.4
200.04791	2.4
209.11783	1.6
211.03967	1.4
211.13452	2.0
214.02731	1.6
217.01282	1.0
224.04732	2.2
227.03697	2.0
228.04285	1.3
236.04813	2.7
237.05612	3.6
239.03522	1.6
240.04327	2.4
241.05173	1.7
256.03729	2.1
257.04471	1.1
257.56689	1.1
267.02982	1.4
268.03723	1.5
269.04593	2.1
271.02536	3.3
279.02945	2.8
280.03857	4.6
281.04565	19.2
282.04996	2.0
285.03922	2.1
286.04788	1.3
287.16504	2.2
295.02545	4.9
295.27783	1.0
296.03326	13.9
297.04053	6.8
299.01959	2.8
299.16531	3.7
314.04263	3.3
315.16046	14.0
316.16766	8.5
317.17416	3.1
324.02783	40.7
325.03467	15.9
325.14572	1.4
327.16132	2.8
337.03720	1.6
338.04141	1.9
343.04800	1.1
343.15518	2.9
344.16208	5.6
345.17111	31.5
346.17410	2.8
353.13956	2.1
369.17197	1.7
392.15887	1.1
393.17096	2.3
405.17017	1.1
433.16672	2.2
435.18073	6.7
451.17715	11.0
452.17923	3.0
469.18649	2.3
478.16431	1.5
479.17151	32.2
480.17389	3.9
497.18182	10.0
498.18497	1.9
595.93005	1.0
637.14191	8.7
638.14331	1.1
651.15466	1.6
653.28131	11.6
654.28784	3.0
679.26477	6.4
777.29980	10.3
778.30267	2.8
787.29138	2.3
805.29517	94.1
806.29834	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01379	1.3
61.98832	2.6
61.99745	0.5
63.02398	5.6
65.00323	12.0
65.00666	0.8
68.99841	1.3
70.56275	2.1
71.01376	1.3
73.02958	0.7
74.16868	0.6
78.95911	1.2
83.01401	7.8
84.95129	0.8
87.00892	0.8
89.02444	0.6
95.01411	2.8
96.96043	2.8
96.96973	1.0
97.02979	0.9
99.92612	2.9
107.01407	19.6
107.05012	1.2
110.00115	0.7
111.00914	2.8
116.92885	27.0
117.92883	0.8
123.00916	3.4
123.04620	0.8
124.01686	24.5
125.02482	13.2
133.02986	2.0
134.89458	4.0
135.04584	2.7
137.02510	0.9
139.00406	2.4
141.01984	2.7
145.03000	2.1
149.02403	0.7
151.00404	72.2
152.01187	100.0
153.01607	5.3
159.04538	0.7
160.01688	1.0
161.02464	10.0
162.03256	5.6
163.00412	1.5
163.04044	10.4
164.01227	1.0
164.04376	1.0
169.01472	10.8
171.10255	1.2
173.02522	1.6
173.04622	0.7
175.04039	1.9
178.99893	75.8
180.00169	4.2
187.03975	0.8
189.01952	6.8
189.05595	0.7
190.02695	1.7
190.99915	1.5
191.03528	7.5
191.05606	1.7
192.00685	2.6
193.01434	1.0
203.03452	0.6
204.04312	0.8
205.04883	0.7
207.02921	0.6
209.11899	1.5
211.03987	0.8
215.03456	1.3
217.01453	2.7
217.05051	0.7
226.02951	0.6
227.03555	1.4
228.04161	1.0
229.05095	0.9
233.01303	0.6
239.03468	0.8
240.04237	0.8
241.05095	1.5
243.02917	3.1
256.03607	1.6
267.02948	1.6
269.04562	1.8
271.02539	7.2
279.03027	1.4
281.04633	1.2
285.04041	5.1
286.04492	1.0
287.16568	1.3
289.18198	1.9
295.02618	3.7
296.03256	5.9
297.04025	11.7
297.14828	0.8
298.04504	1.5
299.02017	8.5
299.16443	1.2
300.02771	9.0
309.04156	1.1
313.03461	2.1
314.04355	14.6
315.04816	3.3
315.15912	0.7
316.16736	2.7
317.17599	6.3
324.02695	3.1
325.03561	4.7
326.03326	0.7
342.03964	0.7
343.04617	6.7
343.15521	11.6
344.15720	1.5
348.02786	2.4
433.16495	2.0
451.17679	4.0
461.16180	4.8
462.16406	0.9
469.18732	12.6
470.18958	2.1
479.17078	2.0
651.15759	55.6
652.16022	9.4
687.33350	0.9
777.30023	89.0
778.30359	21.8
787.28558	6.6
788.28717	2.3
805.29449	15.8
806.29919	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	805.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
58.80887	0.4
59.01370	1.4
61.98845	2.6
63.02404	5.4
65.00327	11.5
68.99821	0.6
69.41718	4.9
71.01395	1.5
72.99339	0.5
73.02952	0.7
81.03480	0.7
83.01394	7.5
87.00887	3.1
88.00408	0.6
88.98843	1.0
93.03455	0.9
95.01411	2.6
96.96053	0.8
97.02975	0.8
98.20642	1.1
99.92607	2.0
107.01411	18.5
107.05070	0.6
108.99336	0.5
109.02961	1.0
110.00167	0.7
111.00912	3.7
116.92880	16.6
117.03450	0.6
117.92896	0.8
121.02990	0.8
123.00909	2.9
123.04563	0.9
124.01691	23.2
125.02496	12.6
133.02992	1.9
134.89514	13.0
135.04558	3.4
135.89505	1.1
137.02487	0.9
137.99557	0.5
138.44574	0.4
139.00418	3.6
141.01988	3.2
145.02948	2.2
151.00404	68.8
152.01189	100.0
153.01630	4.7
159.04576	1.0
161.02490	10.8
162.03273	5.5
163.00395	1.5
163.04045	11.5
163.25035	0.5
164.01199	0.9
169.01468	9.1
170.01761	0.7
171.10274	0.6
173.02475	1.5
173.04663	0.6
174.03175	0.6
175.04045	2.2
177.01955	0.5
178.99892	73.8
180.00252	3.0
183.04553	0.7
187.03958	0.7
188.04813	0.6
189.01930	5.2
190.02753	2.3
190.99861	1.4
191.03499	6.1
191.05602	1.8
192.00722	2.5
192.03851	0.6
193.01410	2.1
197.11855	0.8
199.04054	0.7
201.05534	0.7
203.03542	1.2
205.01442	0.6
207.03049	1.0
209.11880	1.5
211.04022	1.4
211.13507	0.8
212.13713	0.8
213.05608	0.8
215.03516	0.8
217.01492	3.2
217.04977	0.6
225.05525	0.8
227.03539	2.0
228.04102	0.7
229.05052	0.9
239.03537	1.3
240.04265	0.9
241.05121	1.2
243.02977	2.4
251.03497	0.7
253.05019	0.8
254.05884	0.6
255.02986	0.9
256.03821	1.2
257.04568	1.5
267.02988	1.3
268.03830	0.6
269.04535	2.3
271.02493	7.2
271.05829	0.8
272.02951	0.8
279.03018	1.0
280.03891	1.5
281.04486	1.6
285.04089	5.2
286.04691	1.1
287.16592	1.6
289.18103	1.6
295.02560	3.6
296.03253	6.1
297.04077	11.9
297.15030	0.7
298.04489	1.3
299.01996	10.4
299.16595	1.3
300.02725	7.2
313.03558	2.6
314.04355	13.6
315.04956	2.8
315.16107	1.0
316.16806	2.2
317.17584	5.8
324.02786	4.0
325.03568	6.4
325.14496	1.0
326.03912	0.8
340.78125	0.7
341.02893	0.5
342.03711	0.8
343.04575	6.0
343.15543	10.3
344.15875	1.3
348.02692	1.6
405.17365	1.0
426.03528	0.5
433.16495	1.8
441.19308	0.6
450.16779	0.9
451.17685	4.8
452.17780	0.8
461.15970	4.1
462.16394	0.7
468.17844	0.8
469.18738	11.8
470.18961	1.6
479.17142	2.3
480.17886	0.7
547.71625	0.5
651.15820	53.7
652.16180	9.2
777.30078	90.9
778.30444	22.1
787.28467	6.9
788.28204	1.5
805.29468	16.8
806.29767	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	804.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.1
61.98833	100.0
62.98534	0.2
62.99264	0.1
63.99273	0.1
66.95837	0.1
70.61223	0.2
70.61573	0.1
78.95907	0.2
80.96525	0.1
114.43119	0.0
126.69350	0.0
164.11772	0.1
191.05615	0.1
199.28468	0.1
209.11853	0.2
210.12164	0.1
211.12413	0.1
277.21808	0.2
278.22012	0.1
279.22736	0.1
804.39703	0.1
805.41296	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98554	0.2
78.95932	0.3
79.95745	0.3
80.96540	0.4
82.43552	0.1
85.02937	0.1
88.98852	0.1
96.96034	0.2
98.19794	0.2
98.47921	0.1
99.92609	0.2
116.92912	0.3
191.05748	0.3
207.10336	0.1
209.11835	0.3
229.29910	0.1
231.56920	0.1
239.11612	0.1
277.21924	0.4
279.23431	0.3
289.18414	0.1
803.38562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15574	0.1
59.01373	0.1
61.28120	0.1
61.98835	100.0
62.98545	0.2
70.54181	0.2
71.01387	0.1
78.95923	0.2
79.57245	0.1
79.95741	0.2
80.96534	0.4
93.27309	0.1
96.96051	0.3
101.08381	0.1
104.82639	0.1
116.92881	0.5
117.92922	0.1
121.74010	0.1
135.20338	0.1
171.10336	0.1
209.11856	0.5
225.00850	0.1
263.20227	0.2
277.21939	0.3
279.23416	0.3
280.23801	0.1
309.17575	0.1
370.85181	0.1
803.39258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01381	4.0
60.99303	1.0
63.87316	0.5
65.00334	2.6
67.01893	2.7
69.03457	0.8
71.01389	3.4
71.70764	0.7
72.99330	0.7
73.02952	0.6
81.03465	0.8
83.01411	1.3
83.05013	1.1
83.69437	0.5
85.02968	8.1
87.00885	3.5
89.02429	0.9
93.03473	18.1
94.03851	0.6
96.96036	0.7
97.06569	0.5
99.00905	0.6
99.04535	1.5
107.01389	4.1
109.02973	3.2
111.04543	4.1
115.00407	1.4
121.02998	1.1
123.04547	1.6
125.02508	2.5
127.04045	2.2
129.02005	0.7
133.02988	1.8
134.03737	1.2
135.04558	12.5
136.01758	0.8
136.04857	1.4
137.02412	2.6
146.03780	1.7
147.04555	0.9
149.06123	1.0
150.03201	1.5
151.00394	15.4
151.04047	2.9
152.00688	4.1
152.04361	0.6
153.00832	1.5
155.03560	2.5
159.04549	1.0
161.02472	3.5
161.06149	0.7
163.03990	1.5
171.03052	0.8
172.05281	0.6
173.04575	34.9
174.03329	1.0
174.04968	1.0
175.03981	1.9
175.07664	4.6
176.04831	6.4
177.01776	0.5
177.09213	6.1
178.99948	0.9
179.03503	7.9
180.03893	0.6
181.04143	0.6
187.04001	1.4
187.07661	7.2
188.04698	0.9
188.08073	1.0
190.06348	1.4
191.05632	100.0
192.05956	5.3
199.03986	0.8
200.04677	0.7
201.05681	0.7
201.09203	1.5
202.06331	2.2
203.07086	1.3
205.08755	8.2
206.09106	0.7
213.09137	0.6
215.07147	1.6
216.08064	0.5
217.05141	0.6
217.08734	1.0
219.10281	3.0
225.30899	0.5
229.08772	0.8
231.10255	7.6
233.08231	1.9
249.11314	11.2
250.11646	0.7
257.08203	2.2
258.08301	0.6
261.06152	5.0
266.05832	0.8
267.06470	0.7
275.09213	2.7
285.04074	6.7
286.04349	4.2
287.04626	2.5
289.05692	0.8
293.10312	6.6
295.09735	0.8
335.07642	4.0
336.08112	1.8
337.08157	1.1
339.12366	1.6
353.08676	1.6
437.14325	0.9
449.14859	2.8
455.13412	1.1
460.43509	0.5
463.11307	1.1
465.10406	5.6
466.10718	6.1
467.10764	5.3
467.15964	36.0
468.10971	0.7
468.16064	5.4
611.18823	0.7
629.18866	2.6
803.24384	12.1
804.24774	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	802.426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.98832	100.0
62.98532	0.1
71.01392	0.1
78.95939	0.1
80.68739	0.1
80.96511	0.1
85.02976	0.1
93.03487	0.2
111.04531	0.1
133.03012	0.1
137.02510	0.1
151.04100	0.1
161.02541	0.1
171.10254	0.1
173.04628	0.2
177.01952	0.2
191.05646	1.0
192.05940	0.1
209.11723	0.3
210.12300	0.2
225.15125	0.1
235.32240	0.1
277.21799	0.1
285.17221	0.1
289.07327	0.1
293.21338	0.1
294.21622	0.1
480.05209	0.1
490.19666	0.2
491.19781	0.1
802.31244	0.2
802.48962	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16638	0.1
59.01365	0.1
61.91711	0.1
61.98833	100.0
62.05835	0.1
62.98536	0.2
71.01395	0.2
71.72151	0.1
78.95937	0.1
80.96542	0.1
85.02980	0.1
93.03476	0.2
107.46879	0.1
109.02986	0.1
125.02471	0.1
127.04033	0.1
151.04018	0.1
171.10451	0.1
173.04587	0.2
177.02054	0.1
179.03568	0.1
191.05640	0.8
192.06042	0.1
197.12010	0.1
208.27191	0.0
209.11908	0.1
277.21808	0.1
289.07227	0.1
291.67368	0.1
293.21216	0.1
294.22021	0.1
448.81067	0.1
454.41434	0.1
493.59225	0.1
565.20099	0.1
802.49426	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	0.6
59.01381	4.4
61.98833	100.0
71.01381	3.5
73.02956	1.2
77.86256	0.6
78.95922	0.6
80.02686	0.6
81.03487	1.0
83.01369	0.8
83.05034	2.8
84.09966	0.5
85.02964	1.3
87.00912	1.1
89.02472	2.2
96.75632	0.5
98.20088	2.5
99.00916	0.7
101.02470	3.5
113.02469	2.0
119.03502	0.8
125.09760	1.1
127.11325	2.3
135.08247	0.6
145.05142	0.6
155.10736	1.2
161.04590	1.7
163.11313	2.6
165.09273	0.9
165.12914	1.4
171.10274	1.4
179.05595	0.7
181.12415	0.8
183.10271	0.6
191.05676	1.2
191.10872	0.7
191.89279	0.5
199.09810	0.8
201.11354	34.3
202.11632	2.0
207.10208	0.5
209.11850	84.4
210.12184	5.2
225.11284	0.9
227.12904	11.1
235.08218	7.3
253.09291	13.8
277.21722	92.5
278.22086	10.6
292.80612	0.6
385.87842	0.6
419.18964	1.3
437.20288	2.3
443.31668	1.2
445.20749	3.7
461.32718	0.9
513.30676	3.5
697.41663	0.5
739.43591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.2
58.78358	0.2
59.01384	1.4
62.97306	0.2
69.03468	0.2
70.74043	0.4
70.74407	0.4
71.01388	4.8
73.02948	1.4
81.03477	0.2
83.01408	0.5
83.07137	0.2
85.02959	3.0
87.00914	0.3
89.02458	1.2
93.03507	1.2
95.01404	1.5
96.96043	0.2
97.02974	0.3
99.00893	2.1
101.02455	2.0
108.02193	31.8
109.03002	8.5
109.03542	0.1
110.03333	0.5
111.04562	0.4
113.02467	1.7
118.98138	0.3
121.02953	0.4
123.00927	0.8
123.04536	0.6
125.02429	0.2
127.04067	0.2
133.02974	1.4
134.03772	0.3
135.04549	5.9
136.04881	0.4
137.02443	0.3
151.00377	0.4
151.04036	2.0
152.01176	69.7
153.01639	3.5
155.03543	0.2
159.03003	0.2
161.02464	0.4
161.04579	2.4
162.04906	0.2
163.04028	3.8
167.76567	0.2
173.04568	2.6
177.01913	1.1
179.03529	5.6
180.03871	0.3
191.05635	9.5
192.06053	0.3
195.03014	0.5
207.02995	0.7
211.94151	0.2
219.03029	0.2
271.08286	0.8
297.06525	0.2
309.09860	0.2
315.07184	1.2
353.08771	6.5
354.09244	1.0
369.08627	0.3
447.11447	100.0
448.11807	12.6
449.12119	1.3
609.12671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01375	1.7
60.11252	0.3
60.99303	0.4
61.98817	0.4
65.00324	0.8
67.01902	1.1
69.03448	0.4
71.01390	1.2
71.53973	0.3
73.02946	0.4
78.00729	0.3
81.03465	0.5
81.84397	0.4
83.01388	1.1
83.05031	0.5
84.87949	0.3
85.02959	8.5
87.00894	1.9
93.03471	7.2
95.05050	0.3
96.96037	0.6
97.02930	0.3
101.02445	0.4
107.01407	2.3
107.05054	0.9
108.02218	0.6
109.02965	3.9
111.04520	2.7
113.02426	0.4
121.02984	1.8
123.04475	0.8
125.02473	3.5
127.04014	2.1
133.02992	1.8
134.03754	2.2
135.04546	28.5
136.04860	1.5
136.70131	0.3
137.02466	1.7
145.02925	0.4
147.04535	1.2
148.01691	0.8
149.02464	0.4
151.00395	8.2
151.04042	0.8
152.01085	0.5
153.01939	0.4
155.03529	1.7
157.02928	0.4
159.04536	1.5
159.89334	0.3
161.02481	5.4
163.00385	2.1
163.04039	0.6
164.01105	0.6
164.07149	2.3
165.07445	0.7
169.01385	0.8
171.03035	0.7
171.94325	0.3
173.04575	17.2
174.04852	0.6
175.03981	1.4
177.01932	2.8
178.99948	4.6
179.03513	26.0
180.03896	1.1
183.04526	0.5
185.06097	0.3
187.04079	0.4
189.05476	0.4
191.05627	100.0
192.05991	4.4
192.57591	0.3
193.51698	0.3
201.05612	0.7
203.03545	1.2
203.07164	0.7
205.04987	0.4
206.08249	3.7
207.08589	0.9
210.98767	0.4
211.04031	1.1
215.03592	0.4
215.07143	0.6
216.04211	0.4
217.01379	0.4
219.03001	1.0
226.02730	0.7
227.03529	1.8
229.01508	1.8
229.05128	0.5
239.03543	0.7
240.04086	0.4
241.05037	0.6
243.02992	3.4
244.03455	0.6
244.85538	0.3
245.04579	1.1
245.08052	0.4
254.02220	1.0
255.02991	10.7
256.03387	1.1
257.04468	0.4
265.04984	0.5
266.05801	0.4
267.03235	0.3
267.06607	0.8
271.02466	19.5
272.02930	1.8
273.03992	0.9
279.02869	0.4
283.02454	0.8
285.03995	0.5
287.05661	0.6
289.07150	1.6
293.04666	1.6
293.07913	0.3
294.05246	0.5
297.04041	0.5
299.01987	1.0
300.02750	41.6
301.03494	29.5
302.03903	2.5
309.03918	0.5
311.05554	0.5
321.11258	0.4
325.03427	0.4
325.07275	0.4
337.09268	3.3
339.04919	0.4
347.09125	0.4
347.12851	0.3
353.08789	38.8
354.09158	3.7
365.13861	1.1
391.11795	1.3
409.08438	0.4
409.12918	2.0
410.13232	0.4
417.09946	0.9
419.07361	0.4
423.07578	0.4
435.10916	3.7
436.11118	0.7
445.05817	0.6
447.09326	68.7
448.09641	8.2
492.36578	0.4
583.18005	1.1
609.15222	2.3
627.16138	0.5
739.16724	1.0
801.21161	2.4
802.19800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01377	2.2
59.25354	0.3
60.99283	0.4
61.98835	1.7
63.02400	0.5
65.00344	0.5
67.01897	1.1
69.03452	0.4
70.90284	0.9
71.01394	2.1
72.31332	0.3
73.02950	0.5
78.90972	0.3
81.03474	0.5
83.01401	1.5
83.05050	0.8
83.87782	0.3
85.02961	8.8
87.00887	2.1
88.98825	1.2
89.02474	0.8
93.03476	8.5
99.04505	0.9
101.02460	0.5
101.16780	0.3
105.03375	0.3
107.01379	1.5
107.05053	1.0
108.02174	1.0
109.02959	2.6
111.04569	2.2
113.02451	0.7
116.92858	0.4
117.03434	0.3
119.05087	0.6
121.02986	2.5
123.04459	0.3
125.02465	1.1
127.04066	2.1
133.02997	2.4
134.03772	2.8
135.04547	35.8
136.04906	1.7
137.02481	1.5
145.03026	0.4
148.01688	0.3
149.02533	0.6
151.00403	8.1
152.01079	0.4
153.01947	0.5
155.03490	1.6
159.04504	0.8
160.01686	0.4
161.02472	6.1
162.02884	0.3
163.00394	1.6
163.04039	0.6
164.01146	0.6
165.02007	0.4
169.01480	0.7
171.03044	0.8
173.04576	17.7
174.03334	0.3
174.04897	0.8
175.04016	0.5
177.01901	0.4
178.99985	3.6
179.03517	26.6
180.03845	1.4
187.03986	0.5
189.01984	0.3
191.05634	100.0
192.05971	4.4
199.04010	0.5
203.03484	1.0
211.03992	0.5
211.07761	0.5
226.02939	0.4
227.03499	1.4
229.01443	1.4
229.05066	0.7
229.08698	1.2
238.81236	0.4
239.03473	0.6
239.07228	0.7
243.02957	3.0
245.04497	1.1
254.02269	1.3
255.02991	9.7
255.06636	0.7
256.03366	0.9
265.05099	0.5
266.05750	0.5
267.06497	1.7
268.07346	0.4
271.02469	18.1
272.02930	2.3
273.04095	0.6
273.07626	0.7
283.02481	0.6
293.04507	0.9
299.02173	1.7
300.02759	41.0
301.03503	32.1
302.03876	2.8
311.05582	1.1
313.03580	0.5
313.07169	0.5
335.07913	0.5
337.03586	0.5
338.04062	0.6
353.08810	43.8
354.09128	3.9
391.11896	0.6
409.13086	0.5
421.24088	0.3
435.10941	3.4
436.11560	0.4
447.09329	57.0
448.09592	6.8
463.06567	1.4
485.11166	0.5
583.17914	1.0
609.17102	3.3
610.16962	0.4
627.15735	0.8
655.13434	0.3
704.16431	0.4
799.82080	0.4
801.19177	5.9
802.18665	1.8
826.48389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01385	3.9
63.02396	1.4
65.00332	17.1
71.01399	1.6
71.46974	0.9
81.03497	1.3
83.01397	7.1
83.05045	0.8
85.02955	2.2
87.00890	1.4
89.02467	1.7
93.03471	6.5
107.01409	25.1
109.02979	2.5
111.04524	1.4
113.02454	0.6
119.03570	0.7
121.03048	1.0
123.04525	5.3
124.01688	1.4
125.02468	9.5
126.02745	0.8
132.02315	0.7
133.02988	6.6
134.03822	1.3
135.04550	34.6
136.04874	1.2
137.02458	2.0
147.04565	1.1
148.63470	0.6
149.02441	1.7
150.03244	11.4
151.00401	100.0
151.04016	11.0
152.01070	5.6
155.03548	1.0
159.04590	1.3
161.02472	9.3
164.07143	0.8
169.01488	3.1
173.04631	4.6
173.06018	1.1
174.03242	1.8
175.04005	2.7
176.01135	1.8
177.01921	1.4
178.99913	7.4
179.03519	27.0
180.03851	2.0
185.06058	1.0
187.04048	1.1
187.07652	0.7
188.04774	0.7
189.05634	0.9
191.05646	19.4
192.05983	0.6
197.06192	0.6
199.03981	3.0
200.04866	1.0
201.05592	0.7
203.07172	1.4
206.08304	1.1
213.05678	1.1
215.03506	1.2
217.05026	1.1
217.08698	0.9
219.03011	0.7
229.01358	1.2
229.05057	1.1
229.08701	1.0
231.06569	0.9
241.05121	2.3
247.09808	1.2
255.02977	0.7
257.04529	2.5
259.06244	0.9
271.02521	1.4
273.07669	1.2
285.04065	66.2
286.04425	6.5
289.28363	0.6
300.02765	2.9
301.03549	2.1
303.05289	1.6
313.09183	1.0
335.07755	26.3
336.08087	2.9
339.07315	3.2
353.08789	1.1
417.09711	0.6
435.10791	2.2
447.09363	5.5
448.09988	0.8
465.10379	95.0
466.10626	12.3
467.15958	0.6
609.14783	1.7
639.62158	0.6
651.28455	0.6
801.20667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01370	1.7
60.99316	0.3
61.98831	0.6
63.02410	0.5
65.00332	0.8
67.01902	1.3
69.03452	0.3
70.86877	0.7
70.87273	0.2
71.01388	2.1
72.99370	0.3
73.02953	0.5
81.03484	0.7
81.11877	0.2
83.01404	1.2
83.05029	0.5
84.27798	0.2
85.02961	8.6
86.03296	0.3
87.00899	2.3
88.98833	0.4
91.05540	0.4
93.03474	9.8
93.90699	0.3
94.03808	0.3
99.04528	0.5
101.02455	0.5
102.15571	0.2
107.01420	1.3
107.05065	0.7
108.02204	0.5
109.02966	2.9
110.00217	0.2
111.00910	0.4
111.04536	2.9
113.02444	0.6
117.80646	0.3
121.02972	1.6
123.04507	0.3
125.02471	0.9
127.04019	2.2
133.02942	1.7
134.03799	1.8
135.04546	27.6
136.04874	1.4
137.02478	1.7
137.66571	0.2
145.03024	0.3
147.04614	0.3
148.01596	0.5
151.00388	6.7
151.01553	0.4
155.03525	1.7
157.03001	0.4
158.03790	0.2
159.04568	1.0
161.02467	4.7
163.00403	1.3
163.04086	0.4
164.01091	0.5
169.01433	0.5
171.03070	0.5
173.04576	16.7
174.03246	0.4
174.04857	0.4
175.03976	0.5
177.01952	1.0
178.99966	3.0
179.03511	20.4
180.03836	0.9
185.06113	0.5
187.03986	0.4
187.07607	0.5
191.05629	100.0
192.05977	4.4
193.06259	0.4
196.05261	0.3
199.04005	0.5
199.87953	0.3
200.04831	0.5
200.94786	0.3
201.05714	0.4
201.09341	0.5
203.03619	1.3
209.06126	0.4
211.04047	0.9
211.07687	0.7
213.09291	0.3
215.07130	0.6
219.02924	0.6
226.02579	0.3
227.03600	1.3
229.01402	2.7
229.05020	0.4
229.08713	2.6
237.05615	0.8
239.03510	0.7
239.07182	0.4
240.04216	0.7
243.02983	2.3
245.04680	0.6
246.05092	0.4
253.09258	0.4
254.02162	0.6
255.02988	7.8
255.06694	1.5
256.03391	0.7
257.08292	0.3
265.05005	1.1
266.05783	0.9
267.06570	2.8
268.07339	0.5
271.02469	16.2
272.03003	1.9
273.03790	0.3
273.07751	1.4
283.02469	0.8
285.04031	0.4
293.04556	1.3
294.05179	1.0
295.06036	0.3
299.01978	1.6
300.02756	31.6
301.03497	26.2
302.03830	2.3
311.05655	1.6
312.06354	0.5
313.03595	0.5
337.03506	1.0
338.04132	0.7
339.05054	0.6
353.08792	34.1
354.09174	3.3
363.12280	0.4
365.14212	0.6
391.12018	1.3
407.11438	1.0
409.12936	1.4
429.12317	0.3
433.05383	0.4
435.05310	0.5
435.10870	6.5
436.11044	0.9
447.09268	45.6
448.09543	6.2
461.05359	0.6
462.05405	0.9
463.06155	2.1
475.28848	0.4
485.10880	0.7
486.11835	0.4
493.30200	0.4
510.84265	0.3
512.09796	0.7
512.24463	0.3
583.18561	1.8
584.17944	0.3
607.10803	0.3
608.11298	0.7
609.16913	8.2
610.16797	1.6
627.16663	0.9
704.15594	0.6
801.19501	5.8
802.20172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
59.62121	0.1
61.98835	100.0
62.98528	0.3
78.95929	0.1
89.31510	0.1
92.30946	0.1
98.20258	0.6
116.92914	0.1
140.24702	0.1
140.82845	0.1
167.51579	0.1
173.04573	0.2
191.05676	0.4
207.10318	0.1
209.11865	0.7
210.12234	0.3
211.13359	0.2
251.04706	0.1
293.21283	0.4
294.21536	0.3
295.22174	0.1
314.74054	0.1
378.58136	0.1
390.53159	0.1
442.62634	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01368	1.0
59.40527	0.2
61.98833	0.2
63.02393	0.2
65.00340	0.5
67.01896	0.5
69.03442	0.3
71.01385	1.1
71.29161	0.4
73.02945	0.3
78.18284	0.2
81.03472	0.4
83.01392	0.6
83.05051	0.5
85.02961	8.4
85.96436	0.2
87.00873	2.1
91.05565	0.3
93.03472	5.7
94.03851	0.2
95.01383	0.3
99.04510	0.5
107.01417	1.1
107.05014	0.4
108.02222	1.1
108.63090	0.2
109.02989	1.9
111.00905	0.3
111.04550	1.8
113.02477	0.5
119.05013	0.3
121.02980	0.9
123.04547	0.3
125.02481	1.1
127.04042	2.2
129.01978	0.2
133.02954	1.2
134.03783	1.3
135.00955	0.3
135.04549	14.2
136.04889	0.7
137.02440	0.9
146.03722	0.2
147.04532	1.0
149.02460	0.4
151.00391	5.8
151.01561	0.5
151.03978	0.4
152.01062	0.5
153.01967	0.5
155.03532	0.8
159.04530	0.9
161.02475	3.5
162.02591	0.2
163.00404	1.4
163.03966	0.4
164.01036	0.3
165.01817	0.2
169.01445	0.3
171.03004	0.6
173.04559	5.6
173.06021	0.4
174.03372	0.3
174.04922	0.3
175.04037	1.5
177.01924	0.7
178.99915	3.1
179.03510	12.9
180.03857	0.7
183.04510	0.5
187.04034	1.0
187.07648	0.5
191.05626	100.0
192.05969	4.1
199.04042	0.4
200.04773	0.4
201.01952	0.3
201.05544	0.3
203.03511	0.7
211.04005	0.7
211.07660	0.3
213.01913	0.4
215.03514	0.3
215.07159	0.9
216.04337	0.4
217.53291	0.2
219.02995	2.9
226.02606	0.4
227.03517	1.1
229.01411	0.5
229.04994	0.3
229.08736	1.1
239.03441	0.5
240.04187	0.4
241.05182	0.3
243.03021	2.2
244.03366	0.4
245.04564	0.6
251.03418	0.3
254.02208	0.6
255.03000	7.0
255.06505	0.7
256.03403	1.1
257.04520	0.3
265.04984	0.6
266.05731	0.4
267.06577	0.9
271.02457	13.8
272.02863	1.8
273.04037	0.5
273.07681	0.8
283.02414	0.7
285.03961	0.3
293.04501	0.4
294.05347	0.5
295.06110	0.6
299.01907	0.8
300.02753	30.6
301.03497	23.3
302.03854	2.1
311.05475	0.3
312.06110	0.3
313.03470	0.3
321.04034	0.4
321.11359	0.4
322.04736	0.3
338.04230	0.9
339.05292	0.4
341.03195	1.2
341.06775	0.4
353.08792	26.7
354.04532	0.3
354.09024	2.3
363.12381	0.3
365.10342	0.5
372.40836	0.3
391.12061	0.6
409.12946	0.6
417.09784	0.4
435.10892	3.6
436.11179	0.4
447.09317	52.8
448.09656	7.1
449.09769	0.3
463.11182	2.1
473.08914	0.5
484.79605	0.2
486.11395	0.2
487.08829	0.9
512.09344	0.7
552.34509	0.3
583.18469	0.6
608.11389	0.3
609.17255	5.7
610.16815	0.7
627.17163	0.3
801.18652	1.4
802.03003	0.2
802.19153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.1
59.01372	0.1
61.98835	100.0
62.98545	0.2
62.99273	0.1
70.49095	0.2
89.62268	0.1
93.03506	0.1
94.98171	0.1
96.96059	0.2
135.04582	0.1
137.02432	0.1
137.96857	0.1
173.04659	0.1
191.05730	0.2
197.25081	0.0
209.11874	0.2
210.12300	0.1
299.62100	0.1
395.07755	0.1
494.27142	0.1
671.57434	0.1
728.53412	0.1
802.43750	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.6
61.53937	1.4
61.98835	30.5
69.03455	4.5
71.01376	5.8
71.05015	1.8
71.26021	3.5
71.69306	1.5
73.02956	1.6
75.00886	34.2
78.95910	9.2
83.05038	1.4
84.70096	1.2
85.02975	2.2
88.98797	2.4
96.20742	1.7
96.41676	1.3
98.19858	1.6
101.02440	3.4
113.02465	2.4
125.09747	2.5
137.81914	1.4
144.19063	1.5
151.11310	3.5
153.12852	2.2
161.09747	3.3
171.10223	3.3
179.10864	7.2
191.05560	1.8
197.11835	38.2
198.12225	2.4
201.11383	3.4
207.10049	1.9
209.11761	7.5
210.12163	2.9
225.11223	1.7
235.08292	1.8
241.01025	2.7
253.09256	3.2
255.23303	2.1
277.21738	50.5
278.21976	7.6
479.31665	1.5
737.41315	100.0
738.41473	26.9
781.42700	1.6
799.43494	2.3
800.43018	8.6
801.43561	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	799.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
61.98835	6.5
71.01390	4.2
71.70069	0.9
73.02955	0.7
78.95907	0.7
80.02715	0.8
81.03465	1.4
83.05035	4.0
85.02953	1.3
87.00901	1.1
89.02462	2.5
93.03464	0.8
95.05055	1.1
101.02448	3.4
113.02472	2.4
119.03565	0.8
135.08240	0.6
145.05107	0.7
161.04601	1.8
163.11324	2.8
165.12854	1.4
171.10318	2.8
173.04591	0.6
191.05641	1.5
191.10835	1.0
195.13928	7.6
205.12332	1.1
209.11844	100.0
210.12198	6.7
211.13431	0.9
223.13419	3.9
227.12903	13.4
228.13309	1.7
229.84692	0.6
235.08400	3.2
253.09259	18.4
256.13278	0.7
275.20187	8.7
276.20581	2.1
293.21231	86.5
294.21600	9.0
405.27200	0.6
445.20782	2.1
485.32919	1.1
511.29440	1.4
529.30072	2.0
551.11407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
58.00568	0.4
59.01371	2.9
61.98833	1.5
63.02397	0.8
65.00327	2.1
67.01888	0.7
67.32176	0.4
69.69543	2.7
71.01389	2.8
73.02975	0.8
81.03472	0.9
83.01400	3.0
83.05029	0.8
85.02960	14.0
87.00889	2.5
88.98840	0.6
89.02485	0.6
93.03470	8.4
94.03777	0.4
95.01417	0.8
96.96043	0.4
98.19868	0.7
99.04533	1.0
101.02438	0.7
105.03512	0.7
107.01402	3.7
107.04982	0.4
108.02247	0.8
109.02975	2.5
110.75201	0.4
111.04533	2.4
113.02478	1.0
119.04983	0.5
121.02982	7.0
123.04540	0.8
124.01699	0.9
125.02463	1.8
127.04044	2.8
132.02097	0.5
133.02985	6.4
135.04561	3.2
137.02475	1.3
138.60902	0.4
145.02951	0.7
147.00896	1.0
148.01620	0.5
149.02470	1.0
151.00400	13.9
151.03975	0.5
152.01195	2.0
153.01953	0.6
155.03535	0.9
159.04590	0.5
160.01682	0.6
161.02472	20.5
162.02844	1.4
163.00439	0.9
165.02055	0.4
169.01453	0.9
171.03050	0.8
171.04474	0.6
173.04572	4.6
174.03238	0.5
175.00427	0.8
175.04053	1.1
176.01189	0.7
177.01971	1.6
178.99890	3.0
179.03496	2.2
183.04501	1.0
185.02434	0.5
186.03177	0.5
187.04099	0.7
189.02051	0.6
191.05640	100.0
192.06003	4.4
197.02492	0.4
198.03139	0.4
199.03990	2.1
203.03468	0.5
211.04015	2.2
213.01927	0.5
215.03441	1.1
226.02708	1.0
227.03456	3.4
228.04126	0.6
229.01414	0.6
239.03355	1.1
240.04341	0.5
241.01479	1.0
241.04977	0.4
242.02174	0.6
243.02998	4.1
244.03494	0.5
245.00946	0.7
254.02208	0.9
255.03011	5.9
256.03271	0.9
267.03012	1.2
270.01685	1.4
271.02457	17.2
272.03006	2.5
283.02472	2.5
285.04016	0.8
298.01270	0.8
299.01993	31.5
300.02719	15.6
301.03519	10.2
302.03943	0.9
309.15112	0.5
311.02026	6.7
315.07037	0.6
324.02618	0.7
333.07947	0.5
337.03653	0.5
343.05865	0.5
347.05872	0.5
351.07346	1.4
353.08838	1.1
359.05624	0.8
361.06967	0.7
371.05563	0.5
387.05219	1.3
388.95453	0.4
389.06876	1.1
399.05438	0.4
403.04745	0.9
404.05042	0.5
405.06155	3.3
406.06564	0.5
417.06085	6.7
418.06497	0.6
432.04825	1.4
433.05585	18.9
434.06030	2.9
435.07333	1.8
445.07797	2.5
446.08023	0.4
447.09427	3.3
448.09659	0.6
460.04184	1.0
461.05142	98.2
462.05508	15.7
510.08389	0.6
581.12653	0.5
607.10950	58.0
608.11212	14.1
614.10730	0.4
734.97021	0.5
799.18195	1.4
800.17578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.1
59.01374	12.1
60.99296	1.6
61.46765	1.5
61.98833	26.3
67.01897	2.0
71.01391	11.7
71.04998	2.0
71.69896	2.3
73.02927	1.9
74.99105	2.7
81.03446	2.3
83.01396	6.7
85.02966	13.2
87.00896	4.5
88.98820	3.9
89.02465	3.7
93.03480	28.5
96.96033	1.6
99.00892	1.6
99.04557	2.2
101.02459	6.7
105.03489	4.1
107.01384	2.3
107.51239	1.4
108.02225	3.0
109.02957	8.2
111.00883	2.5
111.04543	5.0
113.02474	4.7
116.92836	2.3
117.50986	1.6
119.05038	4.2
121.02969	5.1
123.04503	1.6
125.02433	4.1
133.02977	20.9
135.04565	12.9
136.46133	1.9
137.02473	8.4
139.00342	2.7
146.08249	6.5
147.04599	1.5
148.01727	2.4
151.00378	7.8
151.03979	5.4
152.01120	3.4
153.01996	3.1
155.03563	2.9
160.04028	2.5
161.02463	10.3
161.04463	2.7
163.04071	2.6
172.05316	1.6
173.04585	32.8
174.03307	3.1
177.01953	12.7
178.99908	3.7
179.03510	10.3
191.05640	68.6
192.05905	3.7
193.05067	1.8
195.04570	1.8
199.04021	2.1
201.01881	1.8
214.02724	2.7
215.03517	1.8
217.12024	3.0
217.40651	1.7
225.01974	8.7
226.02460	3.1
227.03365	2.7
228.04375	1.7
239.03386	2.7
241.05267	2.2
242.02199	3.6
243.03030	5.9
253.01413	2.6
254.02063	2.4
255.02974	7.8
266.02118	1.8
266.05588	1.8
267.02768	3.2
269.00919	53.5
269.03824	2.6
270.01419	5.1
271.02444	16.1
272.02841	3.7
281.01178	4.0
281.04282	1.7
282.01703	10.0
283.02396	12.1
283.13525	15.6
284.02948	5.1
285.03934	8.3
295.02499	2.7
297.03867	2.1
299.02032	18.0
300.02725	16.1
301.03326	17.3
301.14435	3.9
302.03687	1.8
309.14923	2.8
310.01031	5.0
311.01929	14.2
312.02319	2.2
317.04456	3.3
319.06140	3.0
324.02515	2.1
327.12344	1.7
327.15958	2.2
329.02936	1.7
334.04709	3.2
335.07690	2.0
339.01328	1.7
345.04062	7.3
346.04483	1.8
347.05719	5.0
351.07233	9.7
353.08401	2.7
357.03397	1.6
358.04361	1.8
361.03610	7.1
362.04187	2.8
363.05087	5.9
373.03543	34.7
373.08023	2.7
374.03934	6.5
375.05051	4.6
387.04883	2.6
389.02832	15.6
390.03802	9.8
391.04443	12.3
392.04382	1.9
394.62271	1.7
403.04282	2.5
404.04895	2.7
405.05255	2.8
415.03522	3.1
417.06094	6.7
418.03329	74.8
419.04071	100.0
420.04425	12.0
432.04306	4.0
433.05118	6.7
434.05801	7.0
435.06897	6.4
443.03476	2.6
445.07687	9.6
446.07980	2.8
447.09158	8.8
459.03516	1.9
460.04153	7.7
461.04813	15.0
462.05606	2.9
463.08936	2.7
479.06015	4.0
565.09998	51.4
566.10455	7.7
580.12305	2.5
581.12189	10.5
605.09808	4.2
606.10132	8.3
607.10614	53.9
607.22681	2.7
608.10925	9.3
625.12152	64.4
625.24835	8.7
626.12427	10.3
626.25067	1.9
653.11621	10.1
655.34680	2.4
699.97888	1.8
798.41107	4.3
799.17493	80.5
799.30261	6.8
799.41772	3.7
800.17816	19.9
800.30945	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	797.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07808	0.7
59.01379	17.6
61.98832	12.7
69.03452	1.2
70.56160	2.7
70.56503	0.9
71.01390	6.4
73.02963	1.4
78.31302	0.7
78.95895	0.8
80.02666	0.9
81.03468	2.9
83.01404	1.0
83.05041	3.7
85.02505	0.7
85.02961	3.2
87.00888	1.9
89.02448	4.5
93.03463	1.5
97.02962	7.2
97.06590	0.8
99.00900	1.6
101.02472	6.9
107.05014	0.8
109.06607	38.5
110.03751	0.8
110.06944	1.5
111.00863	0.8
113.02467	3.1
119.03507	1.3
121.06622	2.5
121.10316	0.7
123.04547	2.4
135.04582	0.7
135.08153	3.7
136.05251	0.8
137.02422	1.1
142.02754	1.9
145.05092	1.0
145.10252	1.0
161.04576	2.7
161.09737	2.3
163.11307	19.8
164.11580	1.3
171.10287	3.0
173.04570	1.1
177.63174	0.7
179.10831	0.7
181.12285	4.5
189.09251	3.5
191.05650	2.7
195.13905	7.0
207.10278	100.0
208.10587	7.0
209.11867	6.7
223.13390	5.1
225.11317	37.4
226.11671	2.1
227.12914	1.0
231.21095	0.9
235.08171	6.4
243.12442	0.9
249.97540	0.8
253.09291	18.7
275.20166	7.9
276.20456	1.1
283.99734	0.7
291.19690	3.3
293.21225	78.4
294.21597	7.3
299.15085	1.4
443.19000	6.4
444.19574	1.4
457.33444	1.1
461.20209	12.1
462.20758	1.4
483.31717	0.8
504.35577	0.8
529.29688	1.3
719.28302	0.8
719.40076	3.5
720.40216	1.1
737.41302	38.5
738.41492	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	797.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.1
59.01369	0.7
59.31147	0.1
60.42046	0.1
67.01896	0.3
69.03454	0.2
70.26672	0.5
71.01380	0.7
72.99306	0.2
73.02948	0.2
77.30289	0.1
81.03457	0.2
83.05021	0.3
85.02962	5.4
86.03321	0.1
87.00883	1.2
93.03471	3.0
94.03807	0.1
94.72208	0.1
96.93333	0.1
99.00860	0.1
99.04528	0.2
101.02462	0.2
109.02978	0.6
111.04535	1.0
123.71821	0.1
127.04029	1.6
133.02969	0.8
135.04549	1.9
136.04869	0.2
137.02530	0.3
143.08821	0.1
155.03516	0.3
161.02457	1.8
163.04050	0.4
166.76471	0.1
171.02979	0.4
173.04568	2.5
178.06328	0.1
179.03548	1.6
184.26114	0.1
191.05630	100.0
192.05975	4.3
194.31229	0.1
201.92178	0.1
215.05638	0.2
237.07635	0.2
249.05026	0.1
311.01266	0.1
321.90897	0.2
337.09222	0.1
351.07224	0.2
352.07492	0.2
353.08783	17.6
354.09088	1.8
580.52393	0.1
601.27856	0.1
657.65912	0.1
662.50659	0.1
797.16443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.1
59.01379	4.8
61.98847	1.8
67.01906	1.4
70.17117	4.5
71.01380	3.9
83.01402	2.5
85.02950	3.9
87.00874	1.8
89.02430	1.3
93.03473	10.3
96.95992	1.2
99.00883	1.0
107.01405	1.0
109.02964	6.9
111.04482	2.0
116.90852	0.9
121.02971	8.5
125.02452	2.6
133.02942	1.5
135.04539	1.5
137.02448	1.9
139.04037	4.7
139.09103	1.0
148.01686	4.0
149.02437	4.1
151.00381	2.6
152.07315	0.9
161.02461	2.0
173.04578	24.5
175.00467	1.0
178.99921	1.0
179.03554	1.1
183.04514	1.0
186.03119	1.3
191.05647	11.4
199.04193	0.9
211.03969	1.9
214.02774	2.1
217.03551	15.1
223.03996	2.1
225.01912	1.7
226.02750	1.8
227.03264	1.9
238.02792	1.4
239.03485	8.9
240.04210	2.0
251.03482	3.6
253.01436	3.0
254.02171	3.7
255.02982	2.4
265.01193	1.2
266.02173	4.5
267.03012	8.0
270.01593	1.2
271.02631	1.5
279.02979	1.5
280.03906	1.6
281.00845	2.9
282.01697	9.6
283.02478	53.4
284.03070	12.5
285.04034	17.9
286.04321	1.4
294.01877	1.9
295.02383	5.1
296.03232	8.4
299.01855	1.4
300.02905	2.3
301.03177	1.4
309.00424	21.9
310.00571	2.2
311.01666	1.8
311.30893	1.1
315.06390	1.2
322.01120	6.9
323.01627	1.4
324.02759	1.4
330.05420	1.1
331.06253	3.4
333.04092	1.3
337.00082	1.5
341.04871	1.4
343.05960	2.0
345.04034	1.1
346.04639	1.1
348.06122	1.4
357.04092	2.4
358.04712	1.7
359.05606	7.0
360.06027	1.5
361.07047	1.6
369.04041	3.4
375.05087	7.6
376.05103	1.2
385.03510	2.9
386.04169	3.4
387.05072	8.3
389.02927	3.4
397.03833	1.3
403.04593	19.0
404.05124	1.7
413.03021	15.0
414.03537	2.4
415.04434	4.3
430.03604	2.7
431.04080	20.2
432.04874	59.4
433.05637	64.4
434.06100	6.8
441.02731	8.6
442.02707	2.1
447.09399	24.5
448.09631	1.6
458.02725	3.9
459.03546	30.3
460.03967	5.4
463.09021	1.1
579.11493	100.0
580.11829	19.0
605.09381	87.5
606.09644	14.3
611.14679	1.2
623.10168	1.2
623.23663	1.8
651.10168	5.2
652.10291	1.2
657.81061	1.1
797.15997	26.9
797.29291	2.6
798.15924	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	793.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
60.89101	0.2
60.99311	17.6
61.66983	0.1
61.98840	2.1
67.51019	0.2
71.01386	0.3
71.69551	0.1
75.00903	0.2
78.95924	0.3
83.01411	0.3
85.02946	0.2
87.00880	0.4
88.00409	0.9
88.98823	100.0
89.02454	4.2
89.99138	1.0
93.03479	0.6
99.92593	0.3
105.19666	0.2
109.02956	0.3
111.04552	0.3
116.92065	0.4
116.92886	5.0
117.01959	0.3
117.92888	0.3
118.92679	0.3
124.01690	0.3
125.02483	0.3
130.89455	0.2
135.04559	0.3
137.02484	0.3
151.00386	0.3
152.01192	0.9
153.01476	0.3
160.01688	0.3
173.04596	0.4
178.99867	0.6
179.03522	0.2
180.00204	0.2
191.05685	0.8
207.10332	0.3
209.11888	0.7
225.11349	0.2
315.04617	0.3
328.59952	0.2
385.14084	0.2
531.72583	0.2
638.14478	0.2
639.15210	0.7
765.29346	0.5
793.29553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
60.99310	17.2
61.98833	0.5
61.99664	0.1
64.56509	0.1
71.01398	0.4
71.19975	0.1
71.20312	0.2
78.95913	0.1
80.13987	0.1
81.35200	0.1
85.02973	0.2
87.00904	0.6
88.00424	0.9
88.98817	100.0
89.02448	3.3
89.99152	1.1
92.82169	0.1
93.03474	0.4
94.35177	0.1
109.02980	0.1
116.92853	0.3
119.05088	0.1
135.04520	0.3
137.02446	0.2
152.62077	0.1
171.10274	0.2
173.04524	0.4
179.03485	0.1
191.05655	0.7
209.11847	2.1
210.12195	0.2
227.12802	0.4
253.09273	0.2
283.02859	0.1
394.34430	0.1
445.20691	0.1
450.65295	0.1
450.74323	0.1
637.60437	0.1
800.09149	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	29.6
70.57823	15.1
75.30543	5.0
98.20034	5.6
116.92879	4.6
128.69269	4.5
135.51630	5.8
148.16724	4.8
178.61324	5.7
183.31667	5.7
209.11842	84.8
214.37334	5.5
227.12979	15.1
235.08231	9.2
250.94151	5.6
253.09410	11.5
277.21710	100.0
278.22070	11.9
302.89102	4.8
445.20670	6.1
609.96240	6.3
791.43701	31.3
792.43964	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	793.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05950	0.1
58.11919	0.1
59.01363	0.1
61.98845	0.3
71.01371	0.1
73.02953	3.4
75.00871	0.2
78.95930	0.1
93.03516	0.1
99.00902	0.6
99.92597	9.8
100.92619	0.5
100.93222	0.1
101.54807	0.1
114.93449	0.4
115.00402	0.1
116.92879	100.0
116.97190	0.5
117.01949	6.5
117.05586	0.1
117.92887	6.1
118.02289	0.1
125.02516	0.1
134.89529	0.1
151.16551	0.1
164.42755	0.1
175.29402	0.1
191.05663	0.1
223.55530	0.1
243.74081	0.1
281.79602	0.1
299.38766	0.1
322.62625	0.1
545.92010	0.1
786.38983	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.1
59.01369	0.2
61.80496	0.0
61.98820	0.2
71.01382	0.1
73.02954	3.1
74.57753	0.0
75.00883	0.1
75.73232	0.1
79.52173	0.0
85.02947	0.1
87.00925	0.1
88.98861	0.1
89.02448	0.1
93.03474	0.1
95.01404	0.1
99.00887	0.6
99.92599	8.9
100.92062	0.0
100.92638	0.4
100.93233	0.1
101.02432	0.1
114.93446	0.5
115.00412	0.2
116.92883	100.0
117.01953	5.7
117.92888	5.8
130.60356	0.1
153.43445	0.1
165.01971	0.1
173.04489	0.1
179.03447	0.1
191.05695	0.2
201.11415	0.1
209.11873	0.5
225.07613	0.1
227.13066	0.1
253.09306	0.1
286.13342	0.1
327.22015	0.2
441.11850	0.1
580.94635	0.1
791.40448	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
58.63889	0.8
59.01366	2.6
61.98838	6.5
63.02395	2.1
65.00327	6.0
71.01382	1.8
71.69790	2.2
83.01402	4.1
85.02992	1.7
87.00891	1.4
88.98828	6.7
93.03456	1.5
99.92576	1.2
101.02454	1.2
107.01402	11.3
109.02912	1.0
116.92869	8.9
117.92809	0.9
121.02988	0.8
124.01728	1.2
125.02467	8.0
137.02486	1.4
151.00394	29.1
152.01129	3.5
161.02437	1.0
163.00418	1.1
165.01933	3.0
165.41634	0.8
169.01413	3.7
171.10251	2.0
173.04575	1.4
177.01900	1.1
178.99884	11.7
179.03499	1.3
191.05629	3.1
203.03525	2.2
209.11861	2.2
211.04063	1.3
214.02730	1.3
225.14954	1.2
226.02679	1.2
227.03532	2.4
228.04243	2.5
241.05074	1.3
242.01810	1.0
253.09254	0.9
255.02872	4.8
256.03781	3.5
267.02997	1.5
268.03784	2.2
271.02417	3.6
278.17667	1.1
280.03732	1.3
282.01721	4.2
283.02542	1.8
283.06262	1.0
284.03323	2.0
285.03961	1.1
285.14932	2.6
293.04562	1.6
294.05371	1.5
296.03223	1.7
297.04071	1.1
298.04703	1.8
299.02023	3.1
299.12851	2.7
300.02740	4.6
301.03384	1.9
303.15982	1.1
310.01221	4.3
311.01968	5.4
313.14413	5.9
322.04782	3.4
324.02939	3.9
325.03299	1.5
327.01474	49.5
328.01889	4.6
331.15601	3.1
339.12405	2.7
349.04077	1.1
350.04126	1.6
352.02261	5.8
353.03094	2.6
353.13782	1.1
355.15546	4.0
369.16959	1.6
379.15561	3.9
393.17245	1.0
395.14990	2.8
397.16519	8.7
398.16498	2.0
421.16553	3.0
423.14474	2.0
437.15912	6.6
438.16455	1.2
447.14273	1.8
465.15552	100.0
466.15927	17.2
763.29193	1.1
791.27997	41.0
792.28186	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	791.28
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01402	1.8
61.98814	4.0
63.02419	3.1
63.74096	0.8
65.00327	6.7
69.41679	8.0
71.01411	1.6
73.02979	1.3
75.90627	0.7
83.01429	3.2
85.02972	0.9
87.00894	1.3
88.98830	1.2
93.03480	1.2
99.04557	0.9
99.92629	1.5
101.02485	1.2
107.01406	10.8
109.03014	1.2
114.62670	0.8
116.92878	22.9
116.93701	1.3
117.92918	2.1
121.02983	1.2
124.01728	1.4
125.02468	8.5
137.02551	1.3
143.03444	1.0
151.00397	30.0
152.01120	2.9
153.02011	0.9
155.05205	1.0
161.02452	0.8
163.00450	2.0
165.02000	3.3
167.03690	0.9
169.01508	3.1
171.10240	1.3
173.04681	1.0
175.03990	1.0
178.99893	14.6
183.04541	0.8
189.02026	1.1
191.05670	3.1
193.01465	0.9
193.05014	0.8
199.04115	1.2
203.03564	1.4
204.04276	0.9
209.11815	4.2
210.12126	1.5
211.04062	0.9
213.10818	0.8
214.83205	0.8
217.05185	0.9
226.02687	1.2
227.03523	2.8
227.12982	1.4
228.04262	2.3
239.03516	1.1
241.05052	1.0
242.05890	0.9
243.03035	1.8
246.83998	0.8
252.04376	0.9
255.02928	3.9
256.03726	3.8
257.04367	1.0
260.53140	0.8
267.02911	1.2
268.03598	1.3
269.04602	1.7
270.05136	1.1
271.02380	5.0
279.03073	1.0
280.03778	2.0
281.04376	0.8
282.01736	3.1
283.02490	2.4
284.03308	2.7
285.04062	2.5
285.14587	1.4
285.17291	2.1
295.02325	0.9
296.03238	1.4
297.04132	1.4
298.04865	1.7
299.02078	3.6
299.12857	2.1
300.02783	4.4
301.03510	2.6
303.16098	1.8
310.01144	3.2
311.01819	5.9
313.03748	0.9
313.14487	6.2
314.04407	2.8
322.04865	3.9
324.02823	4.1
327.01477	55.2
328.01816	5.2
331.15518	3.7
338.04208	1.4
339.12408	3.6
342.03796	2.2
346.03418	1.6
352.02292	4.5
353.03067	2.2
355.15509	4.6
379.15549	4.5
395.15030	1.0
397.16559	9.0
398.17038	0.9
421.16412	3.5
423.14630	1.6
437.16055	6.1
447.14444	2.1
448.14420	1.0
465.15552	100.0
466.15903	14.0
468.17914	3.4
628.65350	1.0
637.14697	3.6
731.68164	0.7
763.28815	4.6
764.28259	1.1
773.28821	0.9
791.27875	45.1
792.28247	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	791.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	0.4
57.03448	0.5
59.01381	0.7
61.98824	0.8
63.02398	2.7
65.00320	6.0
65.61467	0.4
67.73962	0.4
68.99831	0.7
69.03436	0.5
71.01389	0.7
71.41768	0.4
71.42126	1.0
81.25919	0.4
83.01395	4.3
85.02917	0.5
89.02432	0.4
95.01407	1.7
97.02962	0.6
107.01401	10.1
108.01727	0.4
110.00110	0.7
111.00874	3.0
120.09588	0.4
123.00921	3.4
124.01682	21.1
125.02517	4.6
133.02951	0.5
135.04526	0.7
139.00400	3.1
141.01994	2.4
145.02992	1.0
147.04562	0.6
151.00391	40.6
152.01176	100.0
153.01489	3.8
161.02458	5.1
162.03250	5.0
163.00366	0.7
163.04001	2.4
164.01131	0.7
169.01447	4.8
173.02455	1.0
175.04015	1.4
177.02019	0.5
178.99875	75.9
180.00261	4.4
188.01178	1.1
189.01927	3.3
190.02693	2.3
191.03539	3.0
192.00656	0.9
193.01498	0.8
199.03951	0.5
201.69618	0.4
203.03516	0.8
205.01505	0.6
211.04002	0.5
215.03560	0.5
217.01497	1.4
224.04840	0.5
225.05482	0.4
227.03505	1.2
239.03493	1.3
241.05106	0.9
243.02945	1.7
245.04761	0.5
256.03757	0.6
257.04590	1.0
267.02963	1.1
268.03772	0.6
269.04507	1.7
271.02481	7.1
272.02939	0.7
279.03082	0.6
280.03647	0.6
281.04449	0.8
285.04041	5.4
286.04694	1.6
295.02478	2.6
295.43787	0.4
296.03204	3.3
297.04025	7.1
298.04617	1.0
299.02020	7.7
299.16495	0.5
300.02609	2.0
313.03543	2.3
314.04318	26.5
315.04614	2.5
315.16113	1.0
316.16721	0.8
317.17624	1.1
323.02032	0.5
324.02710	2.7
325.03445	4.1
326.04034	0.6
329.97726	0.5
341.03391	0.5
342.03879	3.2
343.04599	2.9
343.15408	2.4
347.02502	0.5
348.02795	2.1
416.26141	0.5
423.84164	0.6
433.16644	1.1
451.17459	2.5
461.16000	6.0
462.16193	0.7
468.18008	1.1
469.18146	2.3
478.16287	0.5
479.17136	0.8
541.13586	0.6
555.15643	0.5
616.67523	0.5
637.14209	69.7
638.14478	11.6
638.24194	0.8
763.28491	62.0
764.28772	15.7
773.26678	6.3
774.27429	1.5
791.27826	9.0
792.27289	2.1
798.07507	0.5
815.46741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01368	3.1
61.98836	1.5
63.02405	8.5
65.00332	16.2
66.48598	0.7
67.27586	0.7
71.01382	3.0
80.79699	0.6
83.01397	10.5
85.02973	1.4
88.98797	1.3
89.02427	1.3
95.01358	0.9
107.01408	26.3
108.01705	0.8
111.00890	1.6
116.92877	2.7
117.92819	0.7
123.00867	1.9
124.01680	10.5
125.02483	7.1
127.50575	0.7
131.03511	1.1
133.02989	1.7
139.00383	1.3
141.01939	1.2
143.61440	0.7
151.00395	83.9
152.01192	34.9
153.01755	1.7
159.04550	1.0
161.02467	26.7
162.03258	12.4
163.00386	1.7
163.03780	0.8
169.01463	11.8
173.02498	1.0
174.03200	2.6
177.01974	0.8
178.99884	54.8
180.00171	3.0
188.01186	2.9
188.04716	1.2
189.01952	6.7
190.02740	6.0
191.03456	2.1
191.05617	1.5
195.03049	0.8
196.05333	0.9
199.04071	0.9
200.04794	1.4
201.02116	0.9
203.03473	3.0
211.03987	1.1
212.04771	1.7
213.05521	1.0
214.02769	1.7
215.03418	1.0
216.04268	1.3
217.01323	1.7
224.04794	2.0
226.02675	1.1
227.03494	1.6
228.04276	1.1
230.02094	1.0
235.04034	1.0
236.04785	1.9
237.05551	4.2
238.02724	0.9
239.03470	2.0
239.96355	0.6
240.04247	2.2
243.02814	0.8
245.04573	1.1
251.03386	1.3
252.04236	1.7
253.05011	1.3
254.02078	1.0
255.02985	0.9
256.03711	2.5
257.04700	1.4
265.04953	0.8
267.02954	1.9
268.03680	2.6
269.04395	2.0
271.02481	1.4
279.02942	2.9
280.03809	4.1
281.04529	18.3
282.04962	1.2
285.03894	1.1
287.16565	1.6
295.02478	6.8
296.03268	12.9
297.03842	5.9
299.02097	3.3
299.16531	3.0
300.02939	1.0
309.03952	1.0
314.04202	2.0
315.16055	15.2
316.13196	1.4
316.16812	18.2
317.17212	3.2
323.01895	2.2
324.02762	49.2
325.03424	14.8
326.03867	0.9
327.16074	3.3
337.03412	2.1
338.04245	1.9
341.02899	1.4
343.15482	1.9
344.16330	17.5
345.17078	13.6
346.03519	0.9
346.17365	1.6
352.02313	3.5
353.13943	1.8
369.17029	1.9
370.13922	0.8
371.14746	0.8
372.30923	0.8
392.16138	0.9
393.17288	1.6
407.18649	0.9
411.17972	1.0
433.16559	2.2
434.17291	1.1
435.18033	5.6
436.18295	1.2
450.16745	1.6
451.11816	1.4
451.17657	16.3
451.24011	0.9
452.18015	2.0
461.15787	0.8
462.16537	0.9
468.17932	0.9
478.16281	2.8
479.17111	51.3
480.17511	9.0
497.17941	1.9
639.26819	12.6
640.26910	2.4
665.24658	8.8
666.24994	1.5
763.28833	2.8
791.27905	100.0
792.28241	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.28
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01373	0.9
61.98839	1.9
63.02393	4.1
64.96680	0.4
65.00336	5.8
65.07229	0.4
66.00662	0.3
67.37685	0.4
68.99816	0.5
69.76927	2.1
71.01393	0.8
78.95918	0.3
83.01389	3.8
88.98821	1.2
95.01392	1.9
107.01410	9.8
109.02969	0.4
110.00100	0.4
111.00900	2.9
114.93430	0.8
116.08202	0.4
116.92858	2.4
117.92934	0.4
123.00909	3.4
124.01691	20.0
125.02526	4.5
133.02986	0.7
135.04541	0.7
139.00395	3.0
141.02028	2.8
145.02966	0.9
149.99690	0.4
151.00403	38.7
151.24666	0.3
152.01183	100.0
153.01541	3.7
160.01634	0.6
161.02486	5.0
162.03256	5.4
163.00412	0.7
163.04082	2.6
164.01222	0.5
165.05661	0.4
166.99922	0.4
169.01465	5.1
173.02458	0.7
173.04614	0.5
175.04057	1.3
178.99886	81.6
180.00223	3.0
184.00192	0.8
187.00404	0.4
187.04108	0.5
188.01202	0.6
189.02016	2.8
190.02747	2.5
191.03503	2.8
192.00665	1.0
193.01430	1.2
199.04037	0.8
202.42033	0.4
203.03519	0.5
205.01573	0.5
209.11835	0.4
213.05513	0.5
215.03523	0.9
217.01457	1.5
217.04977	0.6
227.03555	1.1
239.03375	0.7
241.05083	0.8
242.05511	0.4
243.02940	1.9
243.06488	0.4
253.05049	0.5
255.03023	0.7
256.03793	0.6
257.04553	1.6
267.02997	1.5
268.03903	0.5
269.04620	2.5
270.05353	0.5
271.02493	6.8
272.03064	0.8
279.02960	0.8
280.03705	0.4
281.04343	0.9
285.04080	6.5
286.04709	1.2
287.16495	0.8
295.02414	2.7
296.03204	4.2
297.04031	6.3
298.04449	0.5
299.01996	8.7
300.02716	2.0
307.02505	0.6
313.03680	2.0
314.04340	26.3
315.04871	2.8
316.16736	1.1
317.17529	1.1
323.02069	0.5
324.02786	3.0
325.03580	3.9
341.17676	0.5
342.03909	2.3
343.04553	2.9
343.15543	2.0
348.02823	1.9
349.02899	0.4
433.16632	1.1
450.16599	0.8
451.17694	2.3
461.16043	7.0
462.16458	1.5
467.17160	0.5
468.17703	2.5
469.18616	2.1
478.16235	0.8
479.17096	1.2
593.39667	0.5
637.14246	68.3
638.14642	11.2
763.28528	63.4
764.28766	15.1
773.26733	6.7
774.27814	1.8
791.27802	7.4
792.28564	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98539	0.2
71.61201	0.1
78.95924	0.3
79.95727	0.1
80.96514	0.8
93.03490	0.1
111.43366	0.1
116.92909	0.2
117.92944	0.1
118.92708	0.2
149.70711	0.1
209.11732	0.1
210.26935	0.1
225.00839	0.1
279.23285	0.2
280.23669	0.1
304.83389	0.1
329.23343	0.1
789.40900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98536	0.2
63.99268	0.5
71.39397	0.1
71.39748	0.1
78.95927	0.1
79.95717	0.1
80.02857	0.1
80.96486	0.4
94.98110	0.1
101.17455	0.1
116.92871	0.2
191.27791	0.1
209.11888	0.2
210.12231	0.1
279.23392	0.1
280.23761	0.1
313.18246	0.1
451.11868	0.1
475.32126	0.1
493.33057	0.1
519.31293	0.1
693.36853	0.2
725.39478	0.4
726.40363	0.1
788.51599	0.1
789.41101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.28
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01376	0.6
61.98833	1.2
63.02397	3.5
65.00329	6.8
68.99809	0.7
69.85781	1.1
69.86209	0.9
71.01407	0.9
83.01401	4.2
88.98801	0.4
95.01376	2.0
96.02171	0.4
96.93922	0.3
96.96031	0.4
97.02966	0.3
99.92609	0.7
104.82736	0.3
107.01404	10.5
108.02262	0.4
109.02984	0.4
110.00143	0.5
111.00869	2.6
116.92886	6.7
117.02004	0.4
117.03497	0.5
117.92905	2.9
118.92669	1.9
118.93445	0.4
118.96821	0.3
119.03497	0.3
120.26005	0.3
123.00908	2.6
124.01688	21.5
125.02502	5.8
129.89714	0.3
133.02972	0.8
135.04561	1.3
137.02495	0.5
138.99411	0.4
139.00407	3.6
141.01961	2.3
145.02979	1.6
147.04507	0.5
149.02388	0.6
151.00401	44.3
152.01183	100.0
153.01530	4.3
153.03102	0.3
159.04443	0.3
160.01686	0.5
161.02469	5.3
162.03255	6.3
163.00417	0.6
163.04059	4.0
164.01155	0.5
166.99915	0.5
169.01454	5.6
173.02440	1.3
173.04552	0.3
174.03253	0.4
175.04025	1.2
177.01938	0.7
178.99886	85.4
180.00214	3.8
184.00134	0.8
187.00458	0.3
187.03923	0.4
188.01073	0.7
189.01961	3.8
189.05522	0.5
190.02737	2.5
190.99983	0.4
191.03522	3.3
191.05655	0.8
192.00639	0.9
193.01416	1.1
199.04019	1.0
203.03568	0.6
205.01566	0.3
207.03024	0.4
209.11917	0.6
211.03931	0.5
215.03522	0.9
216.04556	0.4
217.01517	2.4
217.04865	0.4
218.01843	0.4
220.37283	0.3
225.05470	0.5
227.03490	1.6
228.04213	0.4
229.04860	0.6
239.03467	0.7
240.04243	0.8
241.05046	1.2
242.01990	0.4
243.02972	2.2
245.04863	0.5
251.03555	0.5
251.44972	0.3
253.05006	0.4
255.02968	0.7
256.03690	0.5
257.04547	1.4
258.05322	0.4
267.02933	0.8
268.03717	0.7
269.04605	2.0
270.04941	0.5
271.02512	8.0
272.02890	0.8
278.91473	0.3
279.02975	0.6
280.03720	0.7
281.04559	1.2
285.04044	6.9
286.04645	1.3
287.16473	0.6
289.18170	0.6
295.02493	2.2
295.05460	0.4
296.03235	4.1
297.04050	8.2
298.04633	0.9
299.02002	8.0
299.04926	0.2
299.16632	0.4
300.02710	2.8
307.02472	0.4
309.04068	0.4
313.03534	2.9
314.04327	30.0
315.04764	2.8
315.15924	0.6
316.16736	1.2
317.17560	1.3
324.02850	2.2
325.03528	4.5
326.03906	0.4
342.03821	3.1
343.04626	3.3
343.15561	2.9
344.15799	0.4
348.02768	2.0
361.66385	0.3
405.17261	0.6
423.17960	0.4
433.16574	0.8
450.16681	0.5
451.17831	2.0
452.18042	0.4
461.16110	5.2
462.16473	0.8
468.17908	1.4
469.18781	4.1
470.19299	0.4
479.17209	0.9
637.14240	77.9
638.14581	13.8
638.25476	0.4
667.64984	0.3
695.88080	0.4
763.28510	62.5
764.28857	14.8
773.26874	5.6
774.28113	1.4
791.27979	8.1
792.28009	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	788.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.7
59.01382	6.2
60.46008	0.9
61.98835	16.6
63.02392	2.5
63.99264	1.1
65.00327	21.7
69.03455	1.5
71.01390	4.8
73.02926	1.0
78.95901	0.9
82.98802	0.8
83.01400	8.5
83.05009	1.0
85.02955	3.4
87.00896	1.3
89.02459	4.4
93.03474	3.0
95.01419	1.1
96.96034	5.0
97.02940	0.8
99.00883	1.0
99.92579	7.9
101.02449	2.3
102.05581	1.0
105.35186	0.9
107.01414	28.3
109.02981	2.1
113.02444	1.7
114.93425	3.4
115.53373	0.9
116.92881	100.0
117.01927	3.5
121.03027	1.1
123.00900	2.0
124.01701	8.6
125.02469	16.6
128.03574	1.1
135.04572	1.3
137.02449	1.9
145.02966	1.4
146.04700	1.0
147.04578	1.6
151.00392	81.5
152.01199	22.8
153.01985	4.7
159.04430	1.0
160.04066	1.9
163.00369	1.6
164.01199	1.0
166.13016	0.8
169.01454	11.9
171.10251	2.7
173.04529	2.5
178.99876	36.6
179.03360	1.0
180.00246	2.0
191.05684	6.6
193.01355	1.1
193.05078	1.2
197.11847	6.7
198.12180	1.4
209.11827	4.7
211.13460	1.8
213.04262	1.2
214.05031	1.6
229.14459	1.0
237.03998	1.4
253.09149	0.9
279.60397	0.9
298.18121	3.6
299.02075	1.2
301.18024	1.1
308.03247	1.3
309.04053	2.2
312.16010	1.3
314.17587	20.2
315.17862	2.2
326.17557	6.6
327.18073	1.4
327.21652	1.7
342.17148	1.4
344.18564	1.8
348.02707	2.4
352.19391	1.1
354.16907	1.2
354.20859	1.0
368.14944	7.0
369.15701	3.0
370.16455	1.1
378.08347	1.3
382.16791	2.3
394.20245	3.9
395.66806	1.0
396.18466	1.7
400.20554	1.0
410.08737	1.1
412.21310	1.4
428.10001	6.2
457.21442	1.1
460.28900	0.9
461.16183	4.5
463.17325	5.8
464.17581	1.5
478.18924	2.0
479.17740	1.6
493.22330	1.0
502.22327	3.0
504.20291	1.2
506.23987	12.1
507.24069	1.3
520.23627	1.3
532.13892	1.2
532.21869	19.3
533.22089	4.0
547.21301	1.2
564.22333	7.5
565.22748	1.1
582.23291	3.3
590.14679	8.9
590.92358	0.9
591.14954	1.9
592.27521	6.1
593.27661	2.2
608.21655	2.3
618.25775	16.6
619.26123	2.9
626.22644	2.8
631.24347	3.2
641.22510	15.6
642.22534	3.0
643.23743	1.3
726.27655	4.6
727.27209	1.6
744.28876	12.6
745.29083	3.1
770.26563	1.3
787.41357	4.7
788.27551	9.7
788.41949	8.0
789.27887	3.0
789.41565	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	787.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01382	4.3
60.48848	0.3
61.98832	2.8
69.03458	1.2
69.37890	0.3
69.38232	3.3
71.01389	4.6
71.05026	0.4
72.99303	0.5
73.02946	1.2
75.00844	0.4
80.02682	1.0
81.03481	0.8
83.01383	0.5
83.05041	5.4
84.02177	3.7
85.02964	1.0
87.00887	1.2
89.02459	3.2
93.03465	0.7
95.01404	0.3
95.05029	0.8
96.96015	1.6
96.96997	0.6
97.02948	1.1
97.06617	4.3
99.00895	0.7
99.04561	0.9
99.92596	2.0
101.02447	3.9
109.06599	0.7
111.00985	0.3
111.04545	0.4
111.08163	0.4
111.38379	0.3
113.02480	1.8
116.92879	21.8
117.01933	0.8
117.92885	1.6
119.03549	0.9
119.08681	0.3
121.03153	0.3
121.10271	0.3
125.02471	0.4
125.06129	0.4
125.09743	0.7
126.90443	1.0
129.01944	0.3
135.08165	0.9
136.10822	0.4
137.09720	0.6
143.03525	0.5
145.05081	0.4
151.11307	0.5
152.01140	0.4
161.04565	1.5
163.11319	3.9
165.12851	2.4
171.10292	12.8
172.10672	0.7
173.04608	0.5
175.11229	0.4
178.99823	0.4
179.05481	0.4
181.12462	0.6
183.13907	0.8
185.11861	0.6
191.05667	1.0
191.10823	1.1
193.12357	6.4
194.12825	0.3
197.11859	0.8
201.11356	0.8
207.10349	1.0
209.11844	100.0
210.12170	6.3
211.13426	2.5
221.11864	0.6
223.09735	0.8
225.11313	1.1
225.14966	8.9
226.15410	0.5
227.12903	10.5
228.13174	0.6
235.08232	5.5
236.08569	0.3
243.15981	4.0
253.09290	16.0
253.14572	0.5
254.09669	1.0
291.19678	1.2
305.21286	0.8
323.22247	1.6
325.20221	1.0
327.21826	1.1
341.23346	64.3
342.23703	7.1
349.16528	0.4
406.08621	0.4
445.20822	2.0
461.20483	0.4
533.34796	2.6
534.34857	0.4
551.35962	0.5
559.30579	0.4
577.32654	1.7
578.32251	0.4
631.24158	0.4
769.41351	0.5
787.42896	0.5
788.39392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78741	0.1
61.36545	0.1
61.51736	0.1
61.98835	100.0
62.98545	0.2
62.99246	0.1
71.93385	0.1
80.96525	0.2
98.19841	0.1
130.42126	0.1
164.98639	0.1
181.50858	0.1
187.45482	0.1
196.82886	0.1
209.11914	0.3
210.12225	0.1
229.43280	0.1
277.21735	0.2
278.22043	0.3
279.22565	0.2
388.52072	0.1
522.70703	0.1
525.36908	0.1
737.68152	0.1
787.40369	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.3
59.01382	4.5
61.98831	5.8
63.02377	2.3
63.12233	0.7
65.00317	3.9
70.21265	3.1
70.21674	1.4
71.01364	1.8
78.47043	0.9
83.01384	3.3
83.05036	1.2
84.02157	1.0
85.02954	1.0
87.93307	0.8
88.98806	1.7
93.03463	1.9
96.95991	1.3
97.02994	1.6
98.19986	1.1
101.02431	1.7
107.01403	5.3
109.06599	3.3
113.02479	0.9
116.92852	2.0
125.02493	4.2
137.02455	2.4
151.00389	15.1
152.01062	1.6
153.01927	0.8
161.02490	1.2
163.00293	1.3
163.11319	1.4
169.01396	3.0
171.10291	3.4
173.04633	1.2
178.99910	10.8
191.05626	4.2
193.12289	1.2
197.11870	1.8
207.10294	7.1
208.10713	1.3
209.11884	11.5
225.11302	3.2
225.14830	1.0
226.11670	1.3
227.03482	1.1
227.12920	1.7
253.09268	2.4
265.86932	0.9
271.16943	1.4
280.03589	1.4
292.03818	1.1
293.04584	1.0
295.02487	2.7
299.16504	1.4
309.20731	4.3
318.05194	1.3
320.03189	1.2
321.03973	1.5
322.04919	4.5
323.01898	2.3
323.16415	3.5
324.02689	1.9
333.04001	1.3
335.01822	1.5
335.05542	1.6
336.02597	0.9
341.23264	3.1
341.27243	0.9
342.23587	2.3
343.24905	4.4
347.02045	1.4
348.02786	19.8
349.03210	4.4
351.01535	1.2
361.03674	4.9
362.04251	3.6
393.17139	1.6
417.17285	1.7
421.16583	2.0
433.16443	1.8
450.16644	1.2
451.17758	7.9
452.18173	1.1
461.16058	89.9
462.16342	15.6
478.16199	2.2
479.17123	16.4
480.17096	2.5
563.22089	1.2
767.58209	0.9
787.28479	100.0
788.28870	26.3
788.41785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98535	0.2
80.96520	0.1
96.76625	0.1
103.26994	0.1
111.24420	0.1
203.29239	0.1
203.65024	0.1
209.11772	0.4
210.12213	0.2
211.12436	0.1
225.00693	0.1
227.12881	0.1
277.21777	0.1
278.22211	0.2
279.22742	0.1
607.71844	0.1
656.99573	0.1
734.92987	0.1
787.39948	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
57.96490	0.2
59.01376	0.6
63.26999	0.2
67.01894	0.6
69.03450	0.4
69.99969	1.1
71.01387	3.6
73.02950	0.7
78.95909	1.1
79.01851	0.2
81.03464	0.8
83.01405	0.5
83.04984	0.2
85.02959	3.4
87.00883	0.8
89.02454	10.4
90.02793	0.3
93.03469	4.0
95.01398	1.7
96.96011	0.7
96.96978	0.7
97.02972	0.4
99.00911	0.4
101.02456	1.2
108.02190	24.4
109.02982	19.4
109.03546	0.3
110.03291	0.7
111.04522	0.5
113.02462	1.3
120.00853	0.2
121.02983	0.9
123.00922	1.4
123.04552	0.7
125.02518	0.5
133.03014	0.9
133.05087	3.6
134.03757	0.5
135.00943	0.3
135.04541	6.1
137.02449	0.8
151.00421	0.4
151.03993	1.0
152.01176	40.5
153.01962	20.4
153.02988	0.2
153.03300	0.4
153.16304	0.2
154.02307	0.8
155.03511	0.5
161.02455	0.6
161.04572	0.7
163.04065	1.0
165.01932	1.1
173.04564	9.3
174.04922	0.6
175.03934	0.3
177.01974	0.6
179.03503	5.3
180.03828	0.4
191.05635	6.7
192.06004	0.4
195.02965	0.3
199.04070	0.2
207.02951	0.5
225.03978	0.5
271.67911	0.2
274.64688	0.2
297.06174	5.0
298.06586	0.4
315.07208	11.1
316.07541	1.0
351.07068	0.3
353.08801	5.7
354.09064	0.6
387.09357	5.5
388.09857	0.5
431.11957	100.0
432.12286	12.4
433.12460	0.5
447.07114	0.2
511.66382	0.2
534.07123	0.2
626.30658	0.2
732.46344	0.2
785.16766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.1
61.98836	62.0
62.55446	0.5
62.98556	0.7
71.01400	2.9
71.69520	0.7
73.02963	1.9
78.95918	1.0
79.95736	0.6
80.96518	4.0
82.41753	0.5
83.05038	1.5
85.02981	0.7
87.00896	0.7
88.98843	1.2
89.02459	1.3
94.98107	0.6
96.04794	0.6
99.92610	10.9
100.92596	0.8
101.02473	2.0
113.02467	0.8
116.92883	100.0
117.01962	2.0
117.92898	5.2
161.04663	0.8
163.11270	0.8
164.98622	0.6
165.12724	0.9
173.04520	0.8
197.11859	4.2
209.11853	47.3
210.12170	3.0
225.00845	0.6
227.12900	7.5
235.08224	4.6
253.09283	6.8
257.78699	0.5
277.21777	4.6
279.23306	73.1
280.23663	8.2
418.26303	0.5
491.02979	0.6
513.00714	0.6
515.31842	0.7
536.53918	0.7
785.38269	3.5
786.39093	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	785.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01377	1.1
61.98835	0.6
65.00333	0.5
71.01388	1.0
71.69541	0.6
71.69920	0.4
83.01394	0.8
83.19713	0.4
85.02927	0.5
86.74628	0.4
88.98803	0.6
93.03471	1.3
96.96046	0.4
101.02437	0.6
107.01412	2.0
108.02193	1.1
109.02958	1.0
109.77493	0.4
111.04537	0.8
113.02481	0.4
119.05040	0.5
121.02971	1.5
125.02395	0.4
133.02950	0.6
135.04532	0.6
137.02481	0.6
138.05630	0.9
147.04543	38.4
148.01706	0.8
148.04895	2.0
150.05606	0.4
151.00394	7.8
152.00868	0.5
155.03587	0.5
161.02441	0.8
163.00401	1.3
163.04095	0.5
164.00986	0.4
169.01506	0.9
173.04565	1.6
178.99896	3.9
183.04529	0.5
191.05666	2.5
202.16640	0.5
215.03427	0.5
226.02664	0.6
227.03529	2.0
232.41191	0.4
243.02986	5.3
244.03305	0.7
245.04579	0.7
254.02107	2.0
255.02969	14.5
256.03403	1.8
264.03064	2.6
271.02475	31.7
272.02881	5.2
273.03387	1.0
283.02417	1.0
292.02573	2.4
299.01785	0.8
300.02771	71.0
301.03445	35.1
302.03714	4.8
303.04074	0.7
307.04877	6.6
321.09821	10.3
322.07162	11.5
357.54663	0.5
383.78656	0.5
463.08820	100.0
464.09131	17.3
464.15750	0.9
465.09311	4.7
593.12823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01367	2.3
61.98832	1.3
64.74252	0.5
67.01884	0.8
69.03466	0.8
71.01388	2.4
71.69860	0.7
72.58748	0.5
73.02973	0.6
78.95912	0.8
79.11147	0.5
81.03505	0.6
83.01416	0.7
83.05051	0.5
85.02966	12.0
85.03452	0.9
85.48794	0.5
87.00902	2.7
88.98808	1.7
89.02467	0.8
93.03465	7.7
95.01379	0.5
96.96019	4.7
97.02954	0.5
99.04542	1.2
101.02481	0.6
107.01398	0.6
108.02193	1.1
109.02963	2.8
111.04525	1.4
116.92890	1.0
119.05042	2.6
121.02979	3.2
125.02477	3.2
127.04013	2.1
133.02953	4.7
134.03699	0.4
135.04550	2.8
137.02475	1.5
145.02982	0.8
147.04485	0.5
148.01651	0.8
149.02493	0.9
150.64241	0.5
151.00389	1.9
151.04021	0.7
152.01128	0.9
154.74368	0.5
155.03522	0.7
159.04468	0.7
161.02472	2.8
163.00357	1.0
163.04033	1.8
165.01967	1.0
170.76314	0.5
173.04620	4.8
174.88808	0.6
175.04012	1.5
176.08403	0.5
177.01955	1.3
178.99893	0.9
179.03534	1.5
187.04041	0.9
189.01984	0.6
191.05632	100.0
192.05975	5.0
193.01396	0.8
199.04015	1.0
201.02014	0.7
202.99861	1.0
203.03500	0.7
205.01492	1.0
211.04083	0.8
215.03465	0.6
225.05629	1.0
227.03604	1.0
228.04071	0.5
229.01462	0.7
229.04962	0.9
239.03485	1.2
243.03041	1.0
251.03749	0.6
253.05049	1.6
255.02985	7.1
256.03555	1.1
257.04318	0.5
267.02777	0.5
267.06467	0.6
268.03592	0.7
269.04443	1.7
271.02478	3.0
281.04437	1.9
283.02490	1.6
284.03281	3.3
285.04034	7.3
289.07108	0.7
293.26846	0.5
295.02753	0.7
295.06082	1.0
297.04047	27.4
298.04721	8.0
299.05533	4.2
300.02759	3.8
301.03543	4.1
309.04059	0.9
311.05453	2.7
323.01990	1.4
324.02704	1.8
325.03506	2.3
326.04202	0.7
327.05106	26.0
328.05469	2.6
337.09305	11.6
338.09634	1.9
339.04932	4.0
353.08929	2.4
357.06146	20.3
358.06519	2.2
359.05707	0.6
361.06998	0.6
369.06256	1.1
401.06708	1.7
417.06247	1.9
418.06787	1.1
429.08215	1.7
446.06448	22.7
447.09406	60.4
448.09698	8.3
453.20306	0.5
513.10345	1.3
536.03394	0.5
593.13049	63.3
594.13409	11.8
785.19849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65390	0.1
61.98834	100.0
62.98538	0.3
71.46380	0.2
76.45728	0.1
80.96534	0.2
109.06595	0.1
116.92899	0.2
127.93569	0.1
201.47968	0.1
207.10315	0.1
208.10614	0.1
209.11844	0.1
225.00769	0.1
277.21759	0.1
278.22156	0.1
313.68228	0.1
363.05759	0.1
480.77142	0.1
784.44574	0.1
785.37549	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98544	0.2
62.99260	0.1
70.34035	0.2
80.96502	0.1
98.19817	0.1
99.92619	0.1
109.06622	0.1
116.92883	0.7
121.22117	0.1
126.41972	0.0
130.67136	0.1
207.10384	0.1
208.10576	0.1
209.11848	0.6
253.09256	0.1
277.21802	0.1
278.22186	0.2
279.23239	0.3
294.59970	0.1
479.07764	0.1
785.38556	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31122	0.1
58.94985	0.1
59.01373	0.5
61.98832	100.0
62.98542	0.2
71.01392	0.2
71.69382	0.1
71.69826	0.1
72.94177	0.1
78.95929	0.1
80.96517	0.6
83.05047	0.1
85.03004	0.1
88.88840	0.1
94.98109	0.1
101.02466	0.1
113.02463	0.1
116.92919	0.1
131.74353	0.1
148.99187	0.1
163.11375	0.1
165.12849	0.1
167.29051	0.1
197.11856	0.1
207.10318	0.1
209.11842	3.3
209.26520	0.1
210.12181	1.2
225.00864	0.1
225.11310	0.1
226.11757	0.1
227.12959	0.5
228.13298	0.1
235.08304	0.1
253.09355	0.3
254.09703	0.1
277.21725	2.1
278.22101	1.3
278.25131	0.1
279.22662	0.1
675.75787	0.1
686.43689	0.1
784.42188	0.3
785.37952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
59.01383	4.8
61.98838	0.5
70.86274	0.5
70.86585	0.4
71.01385	3.6
73.02953	0.7
80.02703	0.8
81.03477	0.7
82.55475	0.3
83.01374	0.3
83.05042	3.5
83.45020	0.3
84.02179	0.4
85.02953	0.7
87.00893	0.8
89.02450	2.0
95.05025	0.5
97.06601	0.3
101.02458	3.3
113.02466	1.4
119.03539	0.8
125.06174	0.3
143.03481	0.3
145.05086	0.8
157.05078	0.4
161.04575	1.0
163.11296	2.8
165.12862	1.1
179.05664	0.4
181.12366	0.3
191.10831	0.8
204.88414	0.3
209.11844	73.0
210.12158	4.9
210.13953	0.5
227.12900	8.6
228.13206	0.6
233.22891	0.3
235.08240	5.6
253.09277	9.2
254.09705	0.4
275.19955	0.4
277.21732	100.0
278.22064	10.7
340.65338	0.3
445.20654	0.8
513.30658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47128	0.1
57.35603	0.1
61.98832	100.0
62.98527	0.2
77.07018	0.1
78.95928	0.1
80.96516	0.2
85.02965	0.1
85.22215	0.1
98.19742	0.2
149.12735	0.1
189.05917	0.1
191.05569	0.7
204.64290	0.1
223.13446	0.2
224.13678	0.2
225.14058	0.1
268.07413	0.1
277.21756	0.2
278.22122	0.2
289.91980	0.1
325.02158	0.1
366.34039	0.1
418.12732	0.1
471.83090	0.1
591.37433	0.4
782.41632	0.4
783.42548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
61.98820	0.4
65.00336	0.6
71.01379	0.5
83.01395	0.9
87.00867	0.3
93.03485	0.3
96.69675	0.2
98.20607	0.8
107.01406	1.5
108.02254	0.6
109.02966	1.0
110.59460	0.3
121.02972	1.1
122.26553	0.2
135.00900	0.4
139.04004	0.7
148.01743	0.7
149.02473	0.4
151.00391	7.5
153.01897	0.8
157.08720	0.7
161.02458	0.3
161.43150	0.2
163.00371	1.9
164.00925	0.3
169.01489	0.7
173.04581	0.3
178.99879	3.3
183.03044	1.4
187.06721	0.3
190.99879	0.3
191.05617	0.5
201.05557	0.4
211.03954	0.5
215.03564	0.3
216.04204	0.3
226.02681	0.7
227.03448	1.3
229.05038	0.5
243.02997	5.5
243.05267	0.5
244.03525	0.6
245.04530	0.8
254.02315	1.7
255.02986	16.5
256.03311	1.4
271.02466	34.3
272.02887	3.8
273.04071	0.4
274.18698	0.3
283.02457	0.5
284.02933	0.3
299.01904	0.6
300.02765	78.8
301.03458	32.3
302.03894	2.0
319.04462	0.3
319.14029	0.9
463.08813	100.0
464.09183	14.5
464.14572	0.2
538.00519	0.3
647.04871	0.3
656.33948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.0
61.98826	0.9
63.01793	0.3
71.01387	2.0
73.02959	0.4
80.02689	0.9
81.03464	0.9
83.05037	3.6
84.02197	0.6
85.03000	0.6
89.02454	2.0
95.01382	0.3
95.05048	0.8
97.02988	0.3
98.20657	0.7
101.02444	2.3
113.02476	1.1
116.09891	0.3
118.05576	0.3
119.03503	0.3
120.48132	0.2
125.06100	0.5
135.08177	0.4
143.03525	0.3
161.04625	0.5
163.11317	2.7
164.11707	0.3
165.12837	1.6
179.05733	0.5
181.12361	0.5
184.40196	0.3
191.10800	0.9
209.11847	100.0
210.12186	6.5
222.64175	0.2
227.12909	10.9
228.13229	0.8
229.41171	0.3
235.08228	1.3
253.09299	7.1
277.21735	50.1
278.22076	5.5
408.25031	0.3
445.20645	1.9
446.21277	0.3
513.29919	0.3
723.69098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74479	0.5
55.01873	0.7
59.01380	17.4
61.98831	6.4
67.11609	0.6
71.01386	4.1
71.05017	0.7
71.39694	1.5
73.02975	1.1
78.95904	1.1
80.96523	1.1
81.03462	0.7
83.01393	0.9
85.02929	1.2
87.00890	0.7
89.02457	2.7
97.02958	6.1
97.06583	0.8
99.00884	9.2
101.02460	3.3
101.02998	0.6
109.06622	3.5
110.03685	0.9
113.02474	2.1
119.03555	1.1
125.02454	1.0
125.09745	2.7
135.08153	1.3
136.05318	0.8
142.02759	2.3
144.15428	0.5
161.04570	0.6
163.11310	8.6
164.11728	0.6
181.12357	17.5
182.12689	0.9
199.13434	0.7
202.91058	0.5
207.10277	55.6
208.10576	3.7
225.11327	100.0
226.11682	6.8
235.08170	1.6
243.12372	11.0
253.09254	4.7
267.12225	0.6
277.21729	98.0
278.22086	11.8
299.15201	0.7
362.25989	0.5
443.19302	4.0
444.19388	1.0
461.20270	42.4
462.20465	5.0
509.36606	0.6
577.37976	0.8
591.93994	0.7
721.41888	33.0
722.42316	9.0
726.73468	0.7
781.41034	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	782.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.1
60.94269	0.1
61.98832	100.0
62.98531	0.2
62.99258	0.1
71.01363	0.0
73.49598	0.1
75.00883	0.1
78.95902	0.1
88.98810	0.3
93.03490	0.1
111.04550	0.1
135.04576	0.1
152.09189	0.0
157.73541	0.0
163.84518	0.1
173.04527	0.1
191.05658	0.3
209.11967	0.1
210.12187	0.1
274.17419	0.1
293.85434	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.2
60.99307	0.2
61.98835	100.0
62.98534	0.2
64.26511	0.1
71.01418	0.1
71.70133	0.2
72.68082	0.1
83.84557	0.1
85.02965	0.1
88.98845	0.4
93.03499	0.2
96.45036	0.1
117.43398	0.1
126.73547	0.1
137.02470	0.2
173.04594	0.2
191.05716	0.3
192.64726	0.1
207.10246	0.2
209.11932	0.6
210.12225	0.2
215.09340	0.1
273.17026	0.5
274.17401	0.2
364.61194	0.1
389.96182	0.1
419.04507	0.1
427.51373	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84974	0.5
61.98838	3.0
69.69081	4.8
78.95911	63.4
79.95056	0.5
80.02684	1.2
80.96539	3.5
81.03468	1.6
83.01386	0.6
83.05035	6.8
84.02175	1.8
89.13296	0.6
94.98082	1.4
96.96976	14.8
97.19899	0.6
104.68163	0.7
105.55106	0.5
109.06667	0.8
122.73189	0.6
135.08102	0.7
152.98508	1.2
152.99617	12.1
156.61478	0.6
163.11339	4.7
164.11659	0.7
165.12871	2.8
181.12283	1.0
191.10744	1.4
207.10422	0.7
209.11845	55.7
210.12173	3.4
223.00208	3.9
225.00754	0.8
226.04213	0.6
227.12857	4.0
240.98706	1.4
241.01186	28.2
242.01616	0.7
255.23308	32.8
256.23669	2.1
259.02234	2.0
297.03983	1.2
315.04910	1.1
363.12219	1.7
391.22266	1.7
491.94977	0.6
525.17181	0.9
553.27466	1.6
670.24512	0.7
781.41705	100.0
782.42023	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	777.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24139	0.9
57.03450	1.5
59.01385	13.3
60.99309	2.5
61.98833	16.7
65.00326	1.0
69.03457	1.7
71.01391	7.0
72.99343	1.0
73.02942	1.8
73.16084	0.8
75.00910	0.9
80.02704	2.2
81.03480	2.7
83.01421	4.4
83.05038	5.6
84.02197	1.5
85.02951	2.2
87.00889	2.2
88.98817	20.0
89.02467	4.2
93.03482	3.1
97.02946	8.1
99.00887	1.2
101.02446	6.6
107.01419	1.2
107.05023	1.1
109.02982	1.6
109.06614	25.0
111.04537	1.4
113.02476	3.3
116.92899	2.5
121.02946	1.0
124.01692	2.8
125.02486	1.7
125.09764	3.3
129.80699	0.9
134.03751	1.3
135.04535	2.2
135.08191	4.7
136.05316	1.4
137.02550	1.7
142.02771	1.4
151.00356	4.5
152.01166	10.0
161.02499	2.1
161.04565	2.2
161.09715	2.1
163.04083	1.3
163.11311	17.8
165.12943	2.3
171.10269	3.1
173.04526	3.3
175.04015	1.7
178.99924	5.4
179.05652	1.4
179.10843	1.5
181.12305	4.3
189.09195	3.2
191.05595	7.2
191.10846	1.4
195.13994	1.1
207.10281	82.8
208.10600	5.7
209.11847	77.4
210.12184	6.8
221.11839	4.2
225.11351	25.8
226.11789	2.3
227.12856	10.2
228.13257	1.1
229.73151	0.9
235.08220	6.1
239.12889	25.0
240.13290	2.2
243.16214	1.3
253.09279	22.1
271.15530	12.2
272.15829	1.2
273.17072	100.0
274.17453	9.1
300.02618	1.6
403.64545	1.1
443.19238	3.4
445.20828	1.3
461.20322	7.6
462.20511	1.9
463.27069	2.7
469.18280	1.4
507.24567	1.3
509.26138	3.8
605.91211	1.4
699.36090	2.8
700.36157	1.0
717.37219	31.8
718.37335	6.2
777.29871	11.7
778.30579	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	777.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	16.9
78.95936	8.7
80.03532	3.1
93.03468	5.2
101.02525	3.2
139.65683	3.1
173.04590	7.6
191.05673	12.8
199.13541	4.0
201.11357	28.4
209.11841	66.7
210.12274	5.9
215.40756	3.3
225.11353	5.7
227.12915	22.7
229.98756	4.4
235.08266	8.0
253.09354	13.4
255.23117	5.5
277.21735	100.0
278.22049	11.2
445.20764	11.8
463.21820	8.8
513.30432	8.1
518.44794	4.0
529.25287	10.4
529.75751	5.3
621.47211	3.4
697.41144	5.7
723.43518	11.0
724.44415	4.8
777.42749	27.0
778.42395	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	779.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01381	21.9
61.98829	2.3
63.30005	0.5
65.62632	0.5
69.00735	0.5
69.03445	1.6
69.35842	0.4
69.97509	2.1
69.97931	1.2
71.01383	4.5
71.05028	1.0
73.02964	1.1
78.95908	4.2
80.96509	1.2
81.03461	0.7
83.05007	0.6
85.02939	0.9
87.00885	0.5
87.49912	0.4
89.02445	2.9
96.96940	0.9
97.02967	0.6
101.02458	2.1
109.06617	1.9
113.02452	1.8
119.03566	0.7
120.34447	0.5
141.09280	0.6
143.03558	0.6
145.05093	0.9
149.09622	0.7
152.99576	1.1
161.04555	1.6
163.11328	1.0
164.98685	0.5
167.10780	1.9
173.04494	0.5
175.46257	0.5
179.05588	0.8
179.10899	1.2
179.14403	2.3
182.91403	0.5
195.13896	10.1
205.12326	9.1
207.10281	1.7
210.73936	0.5
223.13399	100.0
224.13741	8.3
225.11223	1.3
235.08276	3.5
241.01143	1.7
252.05029	0.6
253.09279	8.7
254.09793	0.6
255.23312	2.0
277.21729	73.1
278.22104	7.9
441.21594	2.6
459.22342	17.0
460.23132	2.5
545.03937	0.5
611.50311	0.5
663.78723	0.5
693.08868	0.6
700.91498	0.6
719.44324	3.1
720.44495	1.4
779.39746	7.3
780.40253	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	777.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01622	0.4
57.03448	0.8
59.01387	1.7
61.98831	4.3
63.02399	1.7
64.11775	0.4
65.00336	4.0
71.01391	1.8
71.52461	0.5
71.58162	0.7
75.88862	0.3
83.01391	2.7
85.02969	1.0
87.00896	0.7
88.98827	0.7
93.03482	1.2
95.01436	0.6
99.92583	1.0
101.02490	0.5
107.01409	7.4
116.92876	11.7
117.92886	1.1
124.01698	1.9
125.02473	5.4
125.37610	0.4
131.03526	1.1
137.02425	0.6
145.03036	0.4
147.00867	0.7
151.00398	22.6
152.01210	6.2
161.02525	0.7
163.00398	1.2
164.01140	0.5
165.01982	1.9
169.01433	4.0
171.04611	0.5
173.04593	0.9
175.00468	0.8
177.01945	1.0
178.99889	14.5
180.00290	0.5
183.04564	1.3
185.02451	0.7
187.04205	0.6
189.01854	0.6
191.03540	0.6
191.05666	2.5
193.01398	0.8
199.04025	1.1
201.01816	0.5
203.03592	1.4
204.04289	0.8
209.11751	0.6
211.03992	1.0
213.01945	0.5
214.02530	0.5
217.05060	1.0
224.04735	0.4
226.02725	1.5
227.03537	3.1
228.04219	1.9
238.02937	0.5
239.03386	0.7
240.04375	0.8
241.05034	0.7
242.05684	0.5
243.02997	2.0
253.05029	0.6
254.02188	0.9
255.03035	4.4
256.03745	2.9
259.02618	0.7
268.03778	1.2
269.04388	0.6
271.02502	4.2
273.17111	0.5
280.03809	1.0
281.01093	1.0
281.04462	0.8
282.01749	3.8
283.02484	2.2
284.03253	2.3
285.04034	1.3
285.15054	1.4
293.04562	0.8
295.02435	1.1
295.13535	0.7
296.03326	1.4
298.04871	1.7
299.02045	4.0
299.05237	0.8
299.12909	2.0
300.02747	5.0
301.03479	1.6
301.14413	0.7
302.15280	1.8
303.16068	0.9
308.03223	0.7
310.01205	4.7
311.01978	7.5
311.12503	0.6
312.02475	0.9
312.13852	0.8
313.14355	4.0
322.04947	2.4
323.05206	0.7
324.02759	3.9
325.03378	0.9
327.01474	93.9
328.01810	10.2
331.15512	1.6
339.12335	2.7
343.15286	0.4
352.02249	5.2
353.02924	2.5
353.13916	0.5
355.15594	4.3
356.16006	0.9
362.04178	0.7
366.03836	0.7
369.17221	0.8
379.15460	3.3
380.15738	1.0
393.17273	1.0
395.15054	1.5
397.16556	5.0
398.16824	1.0
403.14911	0.6
421.16501	4.0
422.16791	0.5
423.14853	1.0
437.16092	6.8
438.16571	1.2
447.14630	2.2
465.15555	100.0
466.15912	17.1
505.10007	1.2
631.23889	3.8
632.24438	1.2
659.23651	2.0
777.26434	47.1
778.26776	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	775.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98540	0.2
62.99277	0.1
71.03108	0.2
115.19626	0.1
124.61680	0.1
132.35475	0.1
164.83377	0.1
222.25407	0.1
326.42380	0.1
359.00290	0.1
371.74557	0.1
407.87253	0.1
452.00748	0.1
717.28925	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
60.99305	0.7
61.98834	1.6
65.00324	0.4
71.26050	0.4
72.20129	0.2
75.00859	0.3
88.98817	3.7
89.70548	0.2
93.03500	0.3
99.92597	10.8
100.92625	0.5
107.01398	0.6
111.04572	0.2
114.93449	0.5
115.92105	0.8
116.92879	100.0
117.92889	6.0
124.01679	0.8
125.02521	0.9
137.02525	0.3
144.92357	0.3
151.00407	2.6
152.01172	4.4
161.02469	0.6
163.03960	0.4
169.01485	0.3
177.02049	0.2
178.99889	4.2
180.00166	0.2
189.02031	0.4
191.03551	0.5
191.05659	0.6
207.10371	0.2
209.11917	0.7
217.01454	0.2
239.12886	0.3
271.02448	0.3
285.04160	0.2
296.03348	0.3
297.04123	0.5
299.02069	0.3
300.02744	0.2
314.04355	0.6
325.03519	0.3
327.15884	0.2
343.04645	0.3
343.15384	0.4
370.24030	0.2
451.17407	0.3
469.18918	0.4
486.93530	0.2
505.09842	3.3
506.10428	0.3
561.08435	0.8
562.09326	0.8
563.09351	0.4
578.09113	0.6
631.24127	7.7
632.24261	1.5
641.23163	0.3
659.23541	3.3
660.23853	1.1
777.30408	1.0
778.30267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
59.29114	0.1
61.98833	1.3
63.02414	0.1
65.00321	0.3
68.99847	0.1
71.01397	0.2
71.71089	0.2
74.50528	0.1
78.95953	0.2
83.01395	0.3
83.05001	0.1
88.98797	0.3
93.03487	0.2
99.92598	9.4
100.92604	0.6
107.01417	0.6
111.00870	0.2
114.93443	0.4
115.92088	0.8
116.92878	100.0
117.92888	5.9
124.01685	1.0
125.02449	0.7
135.04521	0.2
139.00455	0.2
141.01961	0.2
144.92433	0.3
151.00391	2.9
152.01176	4.7
161.02477	0.3
162.03175	0.3
163.03987	0.4
169.01451	0.4
173.04579	0.3
178.99869	3.9
179.29527	0.2
180.00217	0.2
189.01939	0.3
191.03633	0.2
191.05635	0.6
203.03481	0.2
207.10243	0.2
209.11824	0.8
217.01509	0.2
253.87531	0.2
267.02994	0.2
271.02438	0.4
271.15363	0.4
285.04205	0.2
295.02151	0.2
296.03308	0.2
297.04007	0.3
299.02057	0.4
300.02753	0.3
314.04355	0.6
317.17676	0.4
325.03638	0.3
327.01495	1.3
343.04688	0.3
343.15604	0.6
402.34845	0.1
428.58881	0.2
433.16547	0.2
465.15424	0.2
469.18881	0.6
505.09912	2.2
506.10413	0.4
517.43231	0.1
561.08533	0.3
562.09253	0.5
578.08844	0.4
631.24097	5.3
632.24139	1.1
641.22876	0.2
659.23621	3.2
660.23663	0.6
759.15704	0.2
777.29358	2.9
778.29700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03449	1.3
58.00603	0.4
59.01381	4.4
61.98837	4.7
69.03454	0.9
69.67747	0.3
69.84309	1.7
71.01389	4.6
72.99309	0.3
73.02950	1.2
77.99727	0.2
78.95925	0.5
80.02676	1.2
81.03473	1.1
82.34863	0.2
82.95441	0.3
83.01406	0.7
83.05035	4.6
84.02168	0.7
85.02956	4.0
87.00895	1.3
89.02448	2.8
91.04014	0.3
93.03476	0.3
94.95326	0.2
95.01373	0.5
95.05020	1.2
96.96035	1.0
96.96957	0.5
97.02971	0.8
97.06600	2.3
98.20674	0.3
99.00881	0.4
99.92585	0.3
101.02470	3.9
109.06582	0.6
110.03727	0.3
111.04522	0.6
113.02492	2.2
116.92871	3.2
117.01961	0.3
119.03503	1.0
125.02449	0.6
125.06097	0.6
125.09727	0.8
127.11316	0.9
135.04562	0.4
135.08209	0.6
137.09734	1.0
143.03545	0.3
145.05075	0.6
155.10817	0.8
161.04633	2.3
163.11313	3.5
164.11684	0.3
165.12877	2.7
167.14424	0.4
167.43781	0.3
171.10289	10.8
172.10602	0.4
173.04579	0.3
177.12836	0.5
179.05646	0.5
181.12372	1.0
183.13918	2.0
185.11870	0.8
191.05611	0.7
191.10834	0.7
193.12349	0.6
197.11888	0.4
199.13332	0.4
201.11287	0.4
203.10619	0.4
207.10281	0.3
209.11845	100.0
210.12183	7.6
211.13414	10.0
212.13751	0.8
221.11797	1.9
223.13121	0.2
227.12903	13.2
228.13187	1.0
229.14450	8.4
230.14764	0.5
235.08232	8.3
239.12863	1.2
253.09288	18.8
254.09782	1.3
273.18503	0.4
291.19632	3.8
292.20010	0.4
309.20712	8.6
310.20935	1.0
327.21771	57.3
328.22128	7.1
381.12347	0.3
406.74988	0.4
445.20966	2.4
446.21060	0.3
519.33179	1.4
537.34247	0.5
545.29907	1.6
546.31018	0.3
563.30627	2.7
564.31232	0.5
641.22412	0.3
663.75671	0.3
773.41522	0.4
774.53931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.8
59.01372	5.6
61.33714	2.6
61.98507	3.8
61.98821	30.6
71.01401	4.0
78.95912	6.8
80.91688	3.3
85.01755	2.9
85.02955	3.1
87.00929	3.5
88.98822	3.0
93.03477	12.7
96.96011	11.3
96.96969	4.9
111.04518	3.5
116.92899	5.2
125.02424	3.7
133.07532	2.7
135.04547	5.9
151.00375	3.8
161.04570	3.8
171.10262	4.1
173.04596	8.2
179.03516	6.4
191.05606	19.2
192.06056	3.0
207.10327	4.0
209.11847	100.0
210.12202	7.7
227.12914	23.9
253.09341	5.3
261.78531	2.9
299.01505	3.0
300.02780	3.3
327.21698	3.9
334.02075	2.7
445.20935	10.4
629.39478	3.5
637.32751	4.2
773.25714	3.3
773.37781	35.4
774.38269	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	773.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92791	4.6
59.01384	7.9
61.98837	32.6
65.36026	4.1
70.54688	12.7
70.55039	6.9
71.01397	7.2
78.17003	4.7
78.95918	21.8
88.98825	10.6
89.02461	4.5
93.03472	6.3
109.06591	9.9
125.02500	5.7
135.03151	5.3
152.99660	13.0
163.11293	5.0
173.04584	6.8
189.09358	7.0
191.05646	14.9
196.55888	4.9
207.10306	55.2
209.11829	27.4
217.95151	4.2
225.11258	22.6
235.08208	9.2
253.09363	30.8
275.20267	6.7
289.07626	4.9
293.21259	100.0
294.21570	10.5
295.22864	19.2
312.47125	4.9
443.19562	9.1
461.19852	7.7
529.30450	7.7
719.40332	9.1
737.41119	47.4
738.41986	17.6
773.39856	37.2
774.39502	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	773.2693
Annotation	indocyanine green
Peak:m/z	Relative Intensity
59.01389	1.9
60.37745	0.4
61.98833	2.2
63.02416	1.2
65.00333	2.9
69.44281	1.7
69.44713	2.5
71.01409	0.7
78.95935	0.5
83.01418	1.4
83.83106	0.4
85.02985	0.5
93.03493	0.8
96.96062	0.4
104.51425	0.4
107.01407	3.9
116.92876	7.4
125.02491	1.9
134.03767	0.7
135.04581	0.6
143.04597	0.4
143.23781	0.4
146.82675	0.5
151.00392	9.3
152.01196	1.1
155.21661	0.5
159.04485	0.4
163.04037	0.5
169.01457	1.2
169.12421	0.9
171.10336	0.7
173.04605	1.1
178.99876	5.7
191.05685	1.7
193.05119	0.9
197.11800	0.6
199.03955	0.6
209.11876	1.2
211.13472	0.5
224.04886	0.8
227.03532	0.6
239.03648	0.5
252.04509	0.5
253.09581	0.8
264.04279	0.6
277.05075	0.5
279.03082	0.8
280.03711	1.6
281.04297	0.4
292.03802	1.9
293.04553	0.6
295.02454	2.3
304.03674	0.7
305.04321	0.6
307.02539	0.6
308.03458	1.2
309.03903	0.5
320.03198	1.6
321.04092	1.8
322.04706	3.5
323.01917	1.5
323.05322	0.6
323.16525	0.6
324.02701	1.3
325.74356	0.4
333.04126	1.2
335.01932	0.9
335.05734	1.9
336.02649	1.0
341.23196	0.5
347.02051	0.6
348.02780	22.7
349.03345	4.4
351.01431	0.9
353.13766	0.7
361.03595	4.6
362.04272	3.3
365.17679	0.7
377.10327	0.8
379.04715	0.8
393.17114	1.5
417.17300	1.1
421.16519	1.6
422.17249	0.6
433.16370	1.0
434.17032	0.6
434.47131	0.5
450.16809	0.9
451.17538	1.9
461.16074	100.0
462.16394	15.8
477.15469	0.9
478.16309	8.0
479.17090	7.9
479.23285	0.3
480.17206	0.7
489.36047	0.6
579.18701	0.6
589.45886	0.4
602.93976	0.4
773.26917	81.9
774.27228	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	771.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
58.00593	0.6
59.01378	9.3
60.67077	0.4
61.98835	6.0
65.00330	0.8
67.33906	0.5
69.03462	1.6
70.28115	0.4
71.01387	6.5
71.05025	1.5
71.70801	0.7
72.99329	0.5
73.02954	1.7
73.85394	0.6
78.95954	0.6
80.02673	2.5
81.03443	2.4
83.01398	1.1
83.05035	6.5
84.02173	1.7
84.63782	0.7
85.02960	5.1
87.00887	1.8
89.02462	3.9
91.05568	0.8
91.16164	0.5
92.41014	0.5
93.03479	1.8
94.88915	0.5
95.01379	0.7
95.05033	1.6
96.96031	1.1
97.02966	4.1
97.06616	2.7
98.87915	0.5
99.00880	1.3
101.02457	6.5
104.67713	0.4
107.01449	0.8
107.05067	1.4
109.02975	1.0
109.06609	20.8
109.65160	0.5
110.03767	0.7
110.06924	0.7
111.08243	0.8
113.02459	3.4
119.03519	1.2
123.00854	0.5
123.04551	0.7
123.08207	1.0
125.02464	1.3
125.06118	1.5
125.09743	1.2
127.07655	1.2
133.05107	0.6
135.04459	0.5
135.08180	1.9
136.05333	0.7
137.09808	1.3
142.02711	1.0
143.03551	0.7
145.05055	0.8
151.00398	2.7
151.11314	0.9
152.01181	1.3
153.12865	0.8
155.10733	0.9
155.14507	0.7
161.04590	2.6
161.09741	0.9
163.11308	10.7
164.11604	0.6
165.12859	2.3
169.12360	1.7
171.10280	12.0
173.04553	1.3
178.99864	1.6
179.05637	0.7
179.74834	0.5
181.12354	2.6
183.13918	1.8
189.09219	1.1
191.05618	2.5
191.10799	0.6
193.12360	0.9
197.11844	14.6
198.12180	1.1
199.13336	1.5
201.11412	0.8
207.10289	37.1
208.10605	2.0
209.11848	100.0
210.12167	7.1
211.13405	15.0
212.13776	1.1
221.11935	1.4
225.11346	16.1
226.11700	1.0
227.12906	12.6
228.13193	0.9
229.14455	4.3
235.08249	7.8
235.13393	2.4
237.14934	1.0
239.12904	1.3
249.15071	0.8
253.09293	20.8
254.09608	1.2
289.18097	1.8
291.19687	1.9
299.15137	0.5
307.19135	3.2
309.20715	4.4
325.20212	33.7
326.20709	3.3
327.21771	38.4
328.22202	4.0
443.19193	2.1
445.20667	1.6
461.20370	4.3
462.20590	0.6
516.22815	0.6
517.31989	1.0
545.29822	1.5
561.29651	1.1
563.30756	2.5
602.26062	0.8
631.23511	0.6
728.31085	0.8
753.41656	2.4
754.41241	0.7
771.42047	16.4
772.42340	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	768.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.05842	0.1
62.98527	0.3
62.99255	0.1
76.46435	0.1
91.88947	0.1
93.79601	0.1
96.73363	0.1
96.94321	0.1
98.20621	0.1
100.39356	0.1
171.29802	0.1
209.11885	0.1
336.48911	0.1
630.86475	0.1
752.84204	0.1
788.77606	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75153	0.1
59.01382	0.3
61.98834	100.0
71.01392	0.3
71.71152	0.2
71.71541	0.1
78.91905	0.1
78.95921	0.1
79.62159	0.1
83.01394	0.1
85.02973	0.3
88.98839	0.2
89.02457	0.2
93.03477	0.6
96.96037	0.2
101.02456	0.2
108.02229	0.1
109.02998	0.4
111.04540	0.2
113.02477	0.2
116.54498	0.1
133.02942	0.1
134.03775	0.3
135.04567	0.4
137.02490	0.3
152.01231	0.1
155.03600	0.1
161.02486	0.2
163.04070	0.2
171.10292	0.3
173.04587	1.1
175.04030	0.2
177.01941	0.1
177.24339	0.1
178.02791	0.1
179.03557	0.2
191.05641	1.9
192.05978	0.2
193.05089	0.4
209.11858	0.5
209.91643	0.1
212.95032	0.1
225.11455	0.1
270.07773	0.6
474.07205	0.1
609.72668	0.1
762.28564	0.1
770.29724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2024
Annotation	Hypolaetin 8-glucoside-3'-rutinoside
Peak:m/z	Relative Intensity
54.67514	0.2
57.03458	0.6
58.06200	0.2
59.01366	0.3
63.02414	0.6
65.00356	1.2
69.92458	1.6
72.49783	0.2
80.15363	0.3
81.26820	0.3
83.01397	0.9
85.02962	0.4
93.03511	0.5
98.19851	0.3
99.04507	0.3
101.02474	0.5
105.16047	0.3
107.01408	1.7
109.02972	1.0
121.02964	1.0
125.02498	0.8
133.03015	0.7
135.00848	0.5
137.02423	0.4
147.00949	0.4
149.02481	0.7
151.00395	9.5
152.00752	0.5
155.05089	0.3
159.04599	0.4
161.02429	0.4
163.00362	1.2
163.04041	0.4
164.01210	0.4
167.03603	0.4
167.05037	0.3
169.01436	0.6
171.04494	0.8
173.04617	0.9
173.06039	0.3
175.00415	1.0
175.04044	0.6
178.99899	2.6
183.04524	0.4
185.06145	0.4
187.03922	0.4
190.99837	0.3
191.05588	1.6
199.04024	2.7
201.01991	1.0
203.03508	0.4
211.03996	0.4
215.03459	1.8
217.05370	0.3
226.02702	0.9
227.03528	3.5
229.01317	0.2
229.04887	0.6
242.02339	0.5
243.02998	4.3
244.03508	0.4
245.04562	0.5
254.02234	0.5
255.02997	5.4
256.03418	0.7
271.02478	60.6
272.02844	5.6
273.03979	0.6
282.01434	0.3
283.02686	0.4
285.04053	0.5
299.01990	100.0
300.02679	36.4
301.03531	42.4
301.07144	0.6
302.03882	3.9
313.03528	1.1
343.04630	1.4
365.14709	0.3
426.11115	0.3
443.08127	0.3
462.08087	14.3
463.08630	6.4
464.09644	0.5
609.14752	36.1
610.15125	5.4
771.20203	66.3
772.20441	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	765.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91660	0.1
57.47370	0.1
59.01387	0.2
60.99308	16.4
61.98846	0.6
70.77720	0.1
70.86089	0.4
71.01417	0.2
72.52022	0.1
87.00900	0.7
88.00421	2.2
88.98817	100.0
89.02448	9.0
89.99165	1.1
171.03026	0.1
186.14906	0.1
191.05626	0.2
197.15428	0.1
227.17978	0.1
277.21820	0.3
397.13547	0.6
430.54199	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67403	0.3
57.03458	0.3
59.01378	1.7
61.98837	16.1
71.01400	1.5
72.99320	0.5
73.02957	0.3
80.02693	0.7
81.03475	0.9
83.01403	0.5
83.05044	3.3
84.02185	0.4
85.02961	0.3
87.00904	0.3
88.98823	1.8
89.02457	0.9
91.69588	0.3
93.03487	0.3
95.05074	0.3
99.04484	0.3
101.02479	1.2
109.02998	0.3
109.06619	0.3
111.04551	0.3
113.02482	0.9
125.02539	0.2
125.06024	0.3
135.04485	0.4
135.08189	0.4
145.10127	0.3
148.45689	0.3
161.02472	0.6
161.04558	1.2
163.11308	3.1
164.11667	0.4
165.12877	1.7
171.10318	0.6
179.05614	0.3
181.12323	0.7
191.10791	1.1
209.11858	100.0
210.12196	8.4
227.12914	15.7
228.13240	1.1
235.08289	1.8
253.09308	5.3
254.09755	0.5
402.21857	0.2
427.19952	0.3
445.20847	4.2
446.21130	0.5
452.29788	0.3
463.21622	0.6
637.32275	1.1
674.32080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39417	0.1
53.72841	0.1
61.98833	100.0
62.98539	0.2
62.99296	0.1
88.98817	0.2
93.03493	0.1
105.96869	0.1
135.04787	0.1
139.73669	0.1
155.03467	0.1
157.74603	0.1
161.63257	0.1
176.04855	0.1
179.03612	0.1
208.10748	0.1
209.11887	0.2
216.17067	0.1
256.25916	0.1
271.72144	0.1
335.01636	0.1
351.44299	0.1
353.55188	0.1
512.95062	0.1
766.38831	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89581	0.1
61.98834	100.0
62.98540	0.1
71.01395	0.1
71.27142	0.2
71.27478	0.1
71.38184	0.1
78.95928	0.1
79.95753	0.3
80.96524	1.4
82.46079	0.1
94.98106	0.3
108.98524	0.1
113.30413	0.1
130.62781	0.1
134.97652	0.1
148.99255	0.1
164.98705	0.3
184.45810	0.1
209.11856	0.1
224.98738	0.1
225.00659	0.5
226.28455	0.1
255.23346	0.1
256.23749	0.1
338.01077	0.1
765.41364	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
60.99309	16.4
61.98827	0.3
66.57936	0.1
69.45014	0.7
69.45425	0.4
87.00897	0.5
88.00407	0.9
88.98817	100.0
89.02448	3.4
89.99153	1.3
93.03471	0.2
98.60567	0.1
109.06635	0.1
111.42708	0.1
117.03391	0.1
129.84558	0.1
135.04538	0.1
173.04524	0.2
181.73288	0.1
191.05562	0.5
207.10219	0.3
209.11920	0.8
253.09323	0.2
438.59766	0.1
635.30890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41874	0.1
59.01382	0.2
60.99310	17.0
61.98827	0.2
61.99656	0.1
65.60869	0.1
71.01014	0.3
71.01385	0.1
71.05442	0.1
78.80562	0.1
83.05052	0.1
87.00889	0.6
88.00422	0.7
88.98818	100.0
89.02444	2.8
89.99150	1.2
93.03493	0.3
99.75708	0.1
109.02953	0.1
111.04546	0.1
118.70053	0.1
133.03011	0.1
135.04544	0.1
137.02460	0.1
173.04538	0.4
191.05667	0.5
207.10274	0.1
209.11838	2.8
210.12152	0.3
225.11308	0.1
227.12866	0.6
253.09178	0.2
671.87360	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35833	0.5
57.03461	0.5
59.01381	11.1
60.43214	0.4
60.99308	1.1
61.98836	6.8
64.94916	0.4
69.03445	0.9
70.85348	0.8
70.85707	1.8
71.01395	4.5
71.05019	0.7
72.99315	0.6
73.02955	1.2
75.00861	0.9
80.02683	1.7
81.03466	3.2
83.01416	0.8
83.05036	6.9
84.02216	0.6
84.54227	0.5
85.02966	2.2
87.00893	1.5
88.98818	5.9
89.02473	2.7
93.03478	1.8
97.02959	4.3
97.06625	0.5
99.00919	1.1
101.02450	5.0
106.04274	0.6
107.05031	0.8
109.06610	22.1
110.03719	1.0
110.06955	0.7
113.02435	1.5
119.03489	0.9
121.06615	1.5
124.01663	0.9
125.06090	0.7
125.09730	1.7
135.08183	3.2
136.05353	1.0
142.02739	1.5
143.03545	0.5
145.05045	1.0
151.00401	0.7
152.01137	3.0
161.04549	1.0
161.09732	1.4
163.11304	16.5
163.12695	0.9
164.11682	1.2
165.12863	2.8
171.10252	1.9
178.99902	1.4
179.05530	0.9
181.12349	4.0
185.11893	1.2
189.09207	1.8
191.05609	0.6
191.10739	1.4
201.11336	0.7
207.10280	63.6
208.10643	4.7
209.11847	100.0
210.12195	7.3
211.13454	0.6
219.05507	0.6
221.11833	0.7
223.13528	0.7
225.11333	28.0
226.11684	2.2
227.12901	16.1
227.15099	1.1
228.13191	1.2
231.10155	1.2
235.08263	3.2
243.12511	0.7
247.13383	1.0
249.11284	1.4
253.09294	9.3
265.14487	1.4
266.14987	0.6
299.15057	1.2
355.23044	0.7
373.23999	0.9
399.21725	4.8
417.22894	4.5
443.19348	3.6
444.19745	0.8
445.20734	2.4
461.20313	8.6
462.20676	1.0
485.20346	1.0
488.86554	0.6
609.29572	0.7
613.11115	0.6
627.30719	0.8
635.30878	20.7
636.31311	4.9
653.23236	0.4
653.31873	20.8
654.32202	5.1
671.32977	28.0
672.33307	7.1
743.29596	0.6
763.27942	2.8
764.28845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23926	1.6
59.01370	2.2
61.98822	2.0
71.01366	2.9
71.01904	4.3
102.80927	2.1
131.59624	1.7
138.18488	1.7
147.60126	1.5
180.60779	1.7
209.11862	100.0
210.12181	6.4
227.12878	15.7
232.64864	1.7
253.09308	5.9
258.34482	1.6
277.21741	53.3
278.22125	3.7
445.20755	7.2
552.44910	1.8
574.86017	1.7
728.07123	1.8
732.33081	1.9
735.66809	1.9
759.41058	19.8
760.41931	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	759.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
61.06979	1.6
61.98833	2.7
70.71759	5.7
71.01379	2.9
74.72725	1.8
78.95903	2.1
87.80798	1.7
88.66317	1.9
100.14445	1.5
101.25865	1.9
114.40357	1.8
126.95526	2.1
209.11845	71.3
210.12218	5.6
227.12856	22.1
235.08318	10.3
253.09291	9.4
277.21732	100.0
278.22183	13.3
322.54514	2.0
372.38141	2.1
380.09338	1.8
445.21033	2.8
513.30713	3.3
759.41248	30.9
760.41248	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	759.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19358	0.2
57.03458	0.2
59.01363	0.6
59.03651	0.2
60.31917	0.2
60.99312	16.2
61.98820	0.6
63.17512	0.2
69.79572	1.2
70.77202	0.2
71.01386	0.3
79.95720	0.2
84.30444	0.2
85.02970	0.3
87.00892	0.5
88.00420	1.0
88.98821	100.0
89.02454	3.6
89.99164	1.2
92.84914	0.2
93.03482	0.9
94.53611	0.2
96.96043	1.1
98.22596	0.2
98.95603	0.5
99.89972	0.2
99.92590	0.2
111.04552	0.3
111.41372	0.2
114.93426	0.2
116.92915	1.0
116.93626	0.2
135.04475	0.3
137.02478	0.3
151.00391	0.4
152.01210	0.2
155.03554	0.3
173.04552	0.5
191.05638	0.9
193.05083	0.2
207.10274	0.3
242.26080	0.2
561.08691	0.3
562.09143	0.3
605.56891	0.2
768.03644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
60.20544	0.2
61.98835	100.0
98.19816	0.3
125.09799	0.2
143.58534	0.2
147.53275	0.2
198.12181	0.2
201.11426	0.2
207.10318	0.4
238.48666	0.2
253.21852	0.6
277.21750	0.8
278.22186	0.5
279.23019	0.4
639.95026	0.2
724.52533	0.2
773.96948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.5
53.27193	0.3
59.01383	7.7
61.98835	1.7
68.62624	0.4
68.99809	0.8
71.01391	100.0
71.05036	0.5
72.01730	1.5
72.99332	0.4
73.02957	1.7
78.95911	1.6
81.03478	0.5
83.01408	0.8
83.05053	0.5
85.02963	1.8
87.00898	1.3
89.02453	2.5
97.02967	0.9
97.06602	0.4
98.20261	2.5
99.00912	1.0
101.02441	3.9
106.55672	0.4
106.94903	0.4
109.06617	3.4
113.02485	1.8
119.03519	0.5
123.08250	0.5
125.02434	0.5
125.09754	2.1
127.11343	2.0
130.08289	0.4
135.08206	0.6
142.02708	0.6
142.70935	0.4
143.03546	0.5
145.05095	0.5
152.99628	0.7
153.09230	0.5
155.10796	0.8
161.04588	1.2
161.31544	0.4
163.11340	2.6
171.10298	67.3
172.10669	3.2
181.08749	1.1
181.12373	1.4
189.09166	0.5
191.05655	0.5
199.09799	9.4
199.13452	1.3
200.10161	0.7
201.11337	8.0
202.11775	0.7
207.10297	12.5
208.10612	0.9
209.11748	0.6
215.12836	0.9
225.11339	7.7
235.08228	5.5
243.12543	1.3
253.06631	0.5
253.09286	10.7
277.21741	96.7
278.22104	10.3
328.21838	0.5
433.49829	0.4
435.18600	0.9
443.18918	0.6
461.20349	2.5
462.20581	0.5
695.40558	0.7
695.52283	0.6
696.40411	0.6
721.41870	2.8
722.42096	1.3
739.43060	0.9
757.31610	0.7
757.44110	7.3
758.43408	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	755.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34082	0.2
58.00620	0.3
59.01381	2.5
59.89726	0.2
60.16658	0.2
61.98819	0.2
64.49191	0.2
67.77182	0.2
70.68771	0.8
71.01387	2.9
73.02953	0.5
78.95911	0.6
80.02698	0.7
81.03469	1.0
83.01405	0.6
83.05040	4.2
84.02172	0.4
85.02973	0.7
87.00887	0.6
89.02448	1.7
95.01375	0.3
95.05054	0.6
97.06603	0.2
101.02444	2.4
113.02483	1.0
119.03494	0.5
125.06102	0.3
132.07930	0.2
135.08186	0.6
143.03520	0.4
145.05067	0.2
161.04570	1.0
163.11311	3.4
165.12877	2.0
179.05598	0.6
181.12337	0.6
191.10777	0.9
209.11847	100.0
210.12187	7.2
227.12897	9.9
228.13203	0.8
235.08243	1.9
253.09290	7.7
254.09673	0.5
259.15515	1.4
259.20673	0.3
277.21732	55.9
278.22073	5.9
349.49033	0.2
388.82132	0.2
413.00415	0.3
445.20654	1.6
446.21298	0.4
513.30304	0.4
546.89288	0.3
611.66211	0.3
654.13470	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.03448	0.6
58.00596	0.3
59.01385	3.9
61.98820	0.5
62.12648	0.1
62.78782	0.1
65.51814	0.2
69.03454	0.5
69.84845	1.0
71.00995	0.2
71.01386	3.8
72.99314	0.2
73.02951	0.6
78.95901	0.2
80.02701	1.2
81.03475	1.2
83.01388	0.6
83.05038	4.9
84.02173	0.7
85.02963	1.2
87.00889	0.5
89.02447	1.9
93.03484	0.6
93.07098	0.2
95.01383	0.3
95.05028	0.7
96.96027	0.6
97.02956	0.4
97.06611	0.3
98.20548	0.2
99.00912	0.2
101.02466	3.0
109.02966	0.2
109.06619	0.5
111.08181	5.6
112.67889	0.2
113.02472	1.5
119.03527	0.7
125.02496	1.1
125.06081	0.4
125.09769	0.3
127.07684	0.6
135.08189	0.6
137.02449	0.2
137.09743	0.3
137.16478	0.2
143.03529	0.2
145.05080	0.4
151.00481	0.2
151.11258	0.4
153.12885	0.7
161.02437	0.5
161.04578	1.6
163.11307	3.1
164.11629	0.3
165.12891	2.2
167.10753	0.2
169.12367	2.7
171.10312	1.5
173.04596	0.2
178.99940	0.2
179.05605	0.4
179.10739	0.3
181.12370	1.1
183.13905	0.5
191.05634	0.7
191.10777	0.8
193.12309	0.2
197.11853	29.1
198.12206	1.9
199.13417	1.6
207.10301	0.4
209.11852	100.0
210.12193	6.0
211.13411	4.6
212.13678	0.4
223.13516	0.2
225.11339	0.5
226.11635	0.2
227.12903	12.1
228.13150	0.8
234.95334	0.2
235.08226	3.7
236.08534	0.2
253.09293	15.6
254.09726	0.8
263.20151	2.1
264.20404	0.2
265.18127	0.7
273.18585	0.5
291.19669	11.2
292.20007	1.1
293.21164	1.0
309.20731	41.8
310.21085	4.0
369.32370	0.2
433.20999	0.4
440.93533	0.2
445.20813	1.5
446.21002	0.2
501.32285	0.5
519.33136	0.5
527.29034	0.2
545.29712	0.9
585.21954	0.2
604.23529	0.2
643.24323	0.2
715.80194	0.2
737.41791	0.3
755.43036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79272	0.2
55.01887	0.2
57.03452	0.4
59.01378	3.4
60.90487	0.2
61.98820	0.6
64.39619	0.1
65.33503	0.2
69.03458	0.4
69.48286	0.2
71.01395	2.9
71.05022	0.2
72.99296	0.3
73.02962	0.5
78.95892	0.2
80.02685	1.1
81.03470	0.9
83.01392	0.6
83.05029	4.6
84.02179	0.7
85.02966	1.1
87.00878	0.9
88.59295	0.2
89.02456	1.8
93.03454	0.4
95.01403	0.3
95.05059	0.6
96.96032	0.5
96.97036	0.2
97.02937	0.3
97.06599	0.3
98.20646	0.3
101.02456	2.6
109.02936	0.2
109.06596	0.4
110.70011	0.2
111.04518	0.3
111.08176	3.6
113.02491	1.6
116.92912	0.2
119.03573	0.4
123.04491	0.2
125.02452	0.4
125.06091	0.4
125.09721	0.2
133.05122	0.3
135.08226	0.5
137.09723	0.2
145.05096	0.6
151.03986	0.3
151.11256	0.3
153.12901	0.3
161.04576	1.1
163.11313	3.5
165.12866	2.3
166.13419	0.2
169.12337	1.4
171.10278	2.7
173.04590	0.4
178.99815	0.2
179.05673	0.2
179.10760	0.3
181.12424	0.9
182.24278	0.2
183.13899	0.2
191.05655	0.6
191.10762	0.8
195.14040	0.2
197.11850	18.2
198.12227	1.2
199.13403	1.2
201.11363	0.2
207.10304	0.5
209.11845	100.0
210.12183	6.0
211.13431	2.7
212.13780	0.2
225.11432	1.1
227.12900	11.8
228.13170	1.0
235.05988	0.3
235.08226	4.4
236.08574	0.3
249.14963	0.8
251.16541	0.4
253.09299	11.0
254.09628	0.6
263.20230	0.8
265.18048	0.2
273.18585	0.5
275.20059	0.2
291.19690	6.8
292.20044	0.6
293.21219	1.5
301.28708	0.2
309.20728	22.6
310.21124	2.6
443.19025	0.3
445.20709	1.6
485.23911	0.2
501.32047	0.2
527.28534	0.3
545.29797	0.4
663.58301	0.2
730.92139	0.2
737.41681	0.3
755.42474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.7
61.98831	3.0
69.03487	0.6
69.73495	2.1
71.01391	2.3
72.99342	0.4
73.02969	0.4
78.95925	1.1
83.05037	0.5
85.02939	0.4
87.87206	0.3
89.02450	1.2
90.21969	0.3
101.02455	1.5
113.02472	0.8
126.46420	0.3
143.57780	0.3
152.99591	0.6
153.12854	1.3
154.13290	0.3
161.04578	0.8
169.12373	5.2
179.05687	0.5
179.10785	0.7
197.11850	100.0
198.12201	6.6
235.08215	1.1
253.09273	5.9
277.21732	49.0
278.22107	5.0
283.58081	0.4
289.61575	0.3
301.58417	0.3
415.19705	1.3
433.20822	7.6
434.21246	0.9
513.30743	0.7
586.77704	0.3
704.45795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60114	0.1
59.01384	0.5
61.98833	100.0
62.98544	0.4
67.01889	0.1
71.01391	0.3
71.70448	0.1
78.95918	0.2
80.96523	0.1
83.01424	0.1
85.02953	0.5
89.02464	0.2
93.03477	1.0
95.01430	0.1
96.96033	0.2
96.97028	0.1
99.04564	0.1
101.02467	0.3
103.32670	0.1
108.02242	0.1
109.03001	0.2
113.02489	0.2
125.02505	0.2
127.04050	0.1
132.02249	0.2
133.03040	0.3
134.03777	0.3
135.04550	0.2
137.02504	0.4
147.04494	0.1
151.00378	0.2
155.03569	0.1
160.01657	0.8
161.02502	0.1
166.02693	0.3
173.04581	1.3
173.06020	0.1
175.03996	0.8
178.02756	0.3
179.03378	0.2
181.05182	0.2
191.05630	4.4
192.06047	0.3
193.05167	0.3
208.75490	0.1
209.11937	0.3
210.12352	0.2
227.03578	0.2
227.12846	0.1
267.97787	0.1
283.13474	0.3
284.13812	0.1
302.55374	0.1
337.09235	1.0
403.14255	0.3
412.38712	0.1
417.15729	0.2
557.73413	0.2
644.76581	0.2
692.36188	0.1
754.32196	0.2
755.25146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85286	0.2
55.01880	0.4
57.03445	0.9
58.00600	0.5
59.01380	7.2
61.98842	1.1
63.97638	0.2
64.43633	0.2
69.03451	0.8
70.55679	0.7
70.56016	0.2
71.01385	4.8
71.05017	0.5
72.99323	0.6
73.02946	1.2
75.80276	0.2
79.86309	0.2
80.02684	1.7
81.03465	2.7
83.01380	1.9
83.05031	5.5
84.02190	0.8
85.02966	1.7
87.00883	1.2
89.02459	3.0
93.03469	0.8
95.01387	0.4
95.05058	1.3
97.02969	3.2
97.06610	1.8
99.00877	0.7
99.04532	0.2
101.02454	4.5
101.39491	0.2
106.04292	0.5
109.02960	0.4
109.06606	11.0
110.03767	0.6
110.06943	0.5
111.00916	0.5
111.04542	0.3
111.08171	2.6
113.02466	2.4
115.84994	0.2
119.03502	0.8
119.14957	0.2
121.06614	1.1
123.04574	1.6
123.08186	0.7
125.02449	0.7
125.06101	0.5
125.09739	3.0
129.01944	0.3
129.45338	0.2
133.05087	0.2
135.04565	0.4
135.08192	1.8
136.05312	0.6
137.02512	0.3
137.09755	1.4
139.09550	0.2
140.04720	0.2
141.12926	0.3
142.02737	0.7
143.03436	0.4
145.05154	0.6
145.10251	0.3
147.11813	0.3
151.11311	0.5
153.12883	0.4
153.72546	0.2
161.04591	1.8
161.09738	1.3
163.11313	11.4
164.11633	0.7
165.09190	0.5
165.12865	2.8
167.10806	0.4
169.12347	1.8
171.10298	1.6
173.04596	0.6
177.12804	0.3
179.05609	0.7
179.10735	0.4
181.12375	2.6
185.11859	2.9
189.09248	0.8
191.05649	1.7
191.10806	1.6
191.14421	2.6
192.14722	0.3
193.12270	0.4
197.11839	11.8
198.12202	0.8
199.13420	0.9
205.08836	0.2
207.10278	30.0
208.10602	2.2
209.11839	100.0
210.12193	7.6
211.13391	2.1
217.15942	0.6
223.09572	0.3
223.13364	0.3
225.11325	13.3
226.11653	0.9
227.12888	11.0
228.13179	0.8
235.08218	4.7
237.11357	1.3
243.12529	0.3
245.19090	5.6
246.19427	0.4
249.14943	0.9
252.13214	0.2
253.09283	13.8
254.09631	0.7
263.20166	2.0
271.17041	1.0
289.18091	27.2
290.18411	3.1
291.19626	3.8
292.20032	0.5
293.21268	0.3
307.19147	22.0
308.19540	2.8
309.20715	13.6
310.21097	1.7
327.19638	0.7
331.19128	0.3
345.20532	0.4
347.21964	0.3
401.23303	0.8
419.24414	0.5
443.19318	1.3
445.20721	1.0
461.20273	4.1
462.20471	0.4
481.29651	0.5
499.30496	1.1
517.31616	0.5
525.26770	0.5
543.27924	0.6
545.29346	0.3
637.32098	1.3
675.33551	0.3
693.35077	0.3
717.39349	0.4
735.40002	1.9
736.40405	0.8
753.40967	12.5
754.41235	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	753.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01378	2.0
60.99305	0.5
61.98826	0.3
63.09993	0.2
67.01894	3.6
69.03457	0.7
71.01394	2.7
71.09195	0.3
71.09549	0.6
81.03445	0.6
83.01379	0.6
83.05019	0.9
85.02963	1.3
87.00891	0.7
89.02467	0.4
89.03987	0.5
93.03469	24.0
94.03809	1.0
95.01430	0.3
96.96014	0.4
97.02985	0.3
98.12801	0.3
99.04512	0.3
101.92405	0.3
109.02969	1.3
111.00909	1.1
111.04536	4.0
113.02493	0.5
117.03500	1.9
120.61799	0.3
122.24384	0.2
125.02464	2.1
127.03992	0.4
133.02969	0.3
134.03758	15.5
135.04190	0.8
137.02461	5.1
147.04527	0.3
149.02466	0.4
149.06114	0.8
151.00412	0.5
151.03999	0.5
152.01054	0.3
155.03529	3.6
159.04555	0.4
161.02435	0.7
164.07161	0.7
173.04567	100.0
174.04890	3.8
175.04045	0.5
177.01950	0.5
179.03552	0.6
185.06053	0.4
191.05629	11.9
192.06013	0.8
193.05072	14.1
194.05429	0.8
206.08250	1.2
213.05595	0.6
223.04001	0.6
229.05026	0.3
241.05273	0.4
243.03012	0.5
244.03313	0.2
285.04099	0.3
287.05673	0.5
289.07346	0.5
299.01813	0.3
314.99673	1.8
316.00049	1.5
323.71826	0.3
355.54080	0.3
367.10352	34.9
368.10678	3.5
376.43170	0.3
407.07767	0.4
479.06625	0.9
480.06818	2.0
481.06631	0.6
491.11841	0.7
605.76379	0.3
753.17670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03449	2.8
58.00571	1.4
59.01381	22.1
61.98832	6.2
69.03441	4.6
71.01382	16.4
71.05000	1.4
71.71911	1.5
71.72279	1.7
72.99313	2.4
73.02936	3.5
75.00880	16.6
76.01220	1.4
77.01292	1.4
78.95905	1.4
80.02702	3.0
81.03458	3.5
83.01393	3.3
83.05027	7.0
85.02946	4.3
87.00876	3.9
89.02451	5.2
92.63644	1.1
93.03458	5.5
95.01369	1.5
95.05033	2.3
97.02960	6.2
97.06620	2.6
99.00902	1.9
101.02454	13.7
109.06603	29.9
111.00916	1.2
111.04527	2.1
111.08163	10.7
113.02456	4.9
121.06588	2.4
123.04485	3.2
123.08169	2.1
125.02537	1.4
125.06120	1.1
125.09728	3.4
126.90403	2.3
127.07640	1.7
135.08163	3.9
136.05313	1.9
137.09721	1.8
142.02676	2.2
143.03462	1.8
145.05058	1.7
151.00368	1.2
151.11295	3.7
153.12860	3.3
161.04543	4.3
161.05930	1.3
161.09711	1.7
163.11314	24.0
164.11568	1.5
165.12842	3.9
169.12373	6.3
171.10280	2.7
172.72601	1.4
173.04530	5.2
179.10748	5.8
181.12384	6.0
183.13826	2.3
185.11905	3.0
189.09227	2.1
191.05632	16.3
191.10712	2.0
191.14404	4.2
193.12111	1.8
195.13933	3.0
197.11844	92.8
198.12123	5.2
199.13348	4.7
207.10280	89.4
208.10593	6.3
209.11845	82.0
209.13446	0.9
210.12189	4.6
211.13457	9.0
225.11311	33.3
226.11562	2.9
227.12888	12.9
235.08218	6.5
243.12245	1.5
245.19077	5.6
253.09285	33.5
254.09572	1.4
263.20184	4.8
271.16968	1.7
275.20111	2.1
289.18082	25.4
290.18414	3.4
291.19641	16.0
293.21182	7.2
294.21552	2.0
307.19168	28.9
308.19476	2.2
309.20715	66.1
310.21219	7.6
417.46228	1.3
443.19186	4.7
445.20874	1.8
461.20361	8.8
499.30850	2.7
543.27637	2.0
672.90039	1.5
735.39709	5.6
753.40967	100.0
754.41272	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	753.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01374	1.3
61.98823	0.8
65.00336	0.6
69.50999	3.0
71.01382	0.7
83.01402	0.9
85.02968	0.5
89.02441	0.4
93.03468	1.3
98.20602	0.5
101.02451	0.6
107.01380	1.0
108.02185	0.9
109.02959	1.2
111.04529	0.4
113.02451	0.5
116.92865	0.3
119.05029	1.7
121.02982	1.0
125.02382	0.5
127.61992	0.3
135.00914	0.7
135.04579	0.4
137.02432	0.9
139.04039	0.4
145.33406	0.3
148.01678	0.7
149.02434	0.4
151.00386	4.8
155.03554	0.6
161.02505	0.5
163.00375	1.0
163.04074	1.9
164.01180	0.6
173.04573	0.4
178.99893	2.1
179.03508	0.5
187.03918	0.3
191.05588	0.9
192.00546	0.4
211.04030	0.5
215.03532	0.4
215.12752	0.4
226.02701	1.1
227.03487	1.8
231.06622	0.6
233.14000	0.4
243.03012	5.3
244.03506	0.4
245.04669	0.5
254.02238	1.1
255.02988	15.6
256.03473	1.3
271.02472	32.7
272.02927	3.7
283.02368	0.8
299.02051	0.7
300.02762	83.1
301.03403	23.0
302.03928	1.3
319.08237	2.2
320.08606	0.4
432.07843	0.3
433.07773	100.0
434.08139	12.9
434.12680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.05874	0.1
62.98538	0.2
70.57437	0.2
71.01392	0.1
88.98847	0.1
111.51491	0.1
116.92888	0.1
119.67052	0.1
135.04565	0.1
173.04597	0.2
176.23183	0.1
191.05727	0.2
197.12038	0.1
207.10336	0.1
209.11864	0.3
225.11531	0.1
271.59778	0.1
361.63623	0.1
631.40808	0.1
682.31152	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25293	0.1
58.17724	0.1
59.01377	0.3
61.98835	100.0
62.14782	0.1
62.98533	0.2
62.99266	0.1
63.99272	0.1
67.19209	0.1
71.01394	0.2
71.04321	0.2
78.95912	0.2
79.95739	0.1
80.96533	0.1
85.02970	0.1
88.98847	0.1
89.02470	0.1
93.03500	0.2
93.30788	0.1
96.22413	0.1
96.96053	0.2
101.02457	0.1
109.03018	0.1
115.48394	0.1
119.03461	0.1
133.02946	0.1
134.03798	0.2
135.04546	0.2
136.48032	0.1
137.02483	0.1
151.09485	0.1
161.02562	0.1
171.10307	0.1
173.04640	0.3
175.04070	0.1
178.02802	0.1
179.03618	0.1
191.05647	0.6
207.10245	0.1
209.11908	0.4
210.12274	0.1
225.11285	0.1
253.09331	0.1
273.17108	0.1
552.19794	0.1
752.30365	0.3
753.30731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20319	0.3
59.01377	6.8
59.01662	0.6
61.07212	0.3
65.00311	0.5
71.01414	0.4
76.05579	0.3
83.05022	0.5
93.03441	0.8
98.19801	0.6
101.61672	0.4
107.01402	0.9
109.02957	0.5
121.03033	0.6
127.11342	0.4
137.09737	6.1
151.00412	3.1
153.09264	0.5
155.10806	79.9
156.11142	4.5
163.00409	0.7
171.08582	1.1
171.10286	14.4
172.10667	1.4
178.99899	1.2
181.08781	1.4
185.06239	0.4
199.09789	25.5
200.10121	1.8
216.90559	0.3
217.10825	76.3
218.11159	5.8
227.03442	0.5
229.71037	0.5
243.03029	1.3
245.04498	0.7
255.02930	3.5
259.11853	100.0
260.12213	8.8
271.02496	6.9
272.02930	0.9
281.14587	0.4
300.02759	14.5
301.03503	10.3
302.03876	1.3
303.10980	0.6
316.28250	0.4
447.09348	15.1
448.09595	2.5
453.49960	0.4
510.12146	0.4
533.20203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
59.01382	6.7
59.11892	0.3
61.98835	3.2
69.03451	0.4
71.01393	3.2
71.69881	0.7
73.02950	0.8
81.03481	0.5
83.01397	11.5
85.02966	2.0
87.00909	0.4
88.98813	0.5
89.02476	0.6
93.03487	1.6
96.96016	0.4
97.64692	0.3
99.00919	0.4
99.04538	1.2
101.02471	4.3
106.04321	0.4
108.02203	0.6
109.03000	0.8
113.02451	2.2
116.92915	0.6
119.05038	0.7
121.03002	1.4
125.02457	2.1
133.02968	2.0
134.03764	49.8
135.04227	2.0
137.02478	9.6
139.04019	2.6
143.03554	0.7
145.02977	0.7
149.02512	0.4
149.06105	17.9
150.03252	1.2
150.06447	0.9
151.00542	0.3
152.01123	0.3
159.04588	0.4
160.01720	0.4
161.02475	0.9
161.04585	1.5
163.04022	0.3
165.01945	0.4
173.04532	1.1
175.04001	0.5
178.02748	36.4
179.01859	0.3
179.03244	2.7
191.04181	0.3
191.05637	2.1
193.05080	100.0
194.05417	4.6
242.06004	0.6
245.06635	5.6
257.08167	1.9
269.10327	1.3
287.07651	0.4
301.03568	0.4
337.09445	0.9
353.08264	0.6
353.12442	8.7
354.12814	0.6
355.10358	12.6
356.10638	1.0
374.21194	0.3
395.13602	1.0
397.11462	4.7
398.11682	0.5
419.13434	0.6
420.13400	0.4
437.14612	0.4
439.12439	1.5
445.15100	0.4
461.42133	0.4
463.12549	0.6
575.97162	0.4
589.24164	0.5
622.44135	0.4
751.24866	11.6
752.25421	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	749.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
60.99308	14.5
61.98834	34.0
63.02404	2.4
65.00316	6.6
71.01388	2.2
71.70531	1.5
72.99323	2.7
75.66390	1.3
78.95885	1.6
83.01404	5.0
85.02937	1.3
88.98818	62.1
89.02460	1.6
89.99226	1.4
93.03483	2.4
95.01406	1.6
107.01393	11.4
109.06587	1.3
112.26189	1.0
123.00904	2.2
124.01674	12.4
125.02460	8.2
125.09727	1.2
135.04538	1.8
137.02441	1.2
139.00410	1.8
141.01924	2.4
145.03023	1.5
151.00389	44.3
152.01186	66.1
153.01639	1.3
161.02470	5.9
161.04533	1.3
162.03253	4.6
163.04019	3.3
169.01419	4.5
169.12184	1.2
170.21179	1.1
173.02385	1.6
173.04579	1.5
178.99883	64.0
180.00240	3.7
189.01932	4.5
190.02687	2.5
191.03555	5.5
191.05632	2.3
193.01454	1.3
197.10176	2.2
197.11862	25.7
203.03386	1.1
209.11842	16.6
210.12247	1.3
211.13371	14.3
217.01474	1.8
227.12985	2.4
235.08176	2.9
243.03024	1.3
253.09294	4.0
267.03021	1.7
269.04367	1.4
271.02505	3.1
273.17102	16.4
281.04639	1.2
285.03870	4.2
287.16721	1.3
289.18143	1.2
295.02499	1.9
296.03226	2.7
297.04056	6.8
298.04465	1.1
299.01990	5.6
300.02744	5.0
314.04404	11.9
315.05045	3.0
315.16025	1.3
316.16772	3.3
317.17590	3.9
324.02850	2.9
325.03513	4.6
342.03806	2.2
343.04590	7.0
343.15622	6.1
348.02780	1.4
433.16006	2.4
433.21170	2.3
445.20691	1.3
447.22079	1.5
451.17410	2.7
461.16293	1.9
466.69165	1.2
469.18951	9.3
492.48346	1.3
505.09845	44.2
506.10095	5.6
631.24115	100.0
632.24457	25.3
641.22693	4.7
659.23584	63.9
660.23920	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	741.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.8
61.98832	1.8
70.92444	0.3
70.92780	0.6
78.95911	37.0
87.00915	0.3
96.96977	3.2
109.60722	0.3
112.50883	0.3
134.98642	0.4
141.01721	4.7
150.98042	0.8
152.64229	0.3
152.99611	49.5
153.99991	0.7
161.47850	0.3
169.31952	0.3
169.38356	0.2
171.00681	4.4
188.98558	0.7
191.05576	0.7
211.13412	0.3
223.02061	1.0
227.03259	5.5
232.97527	3.4
233.22813	0.5
245.04369	1.5
253.21732	31.1
254.22067	2.9
255.23346	1.3
259.20752	0.4
275.20187	0.6
277.21729	86.9
278.22086	9.4
279.23297	0.4
281.24619	0.5
305.02213	0.6
314.97913	0.9
396.98141	0.7
413.20996	2.9
414.21146	0.4
431.22537	0.3
432.22141	0.3
463.24438	0.7
483.27316	0.8
487.24872	1.2
488.25040	0.5
505.25711	100.0
506.26056	16.0
506.72827	0.3
666.94519	0.4
741.47266	34.7
742.27643	0.4
742.47601	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	749.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88590	0.3
59.01389	0.5
60.99310	2.7
61.98835	100.0
63.02409	0.7
65.00322	1.7
67.30139	0.3
69.87780	2.1
71.01395	0.7
75.00861	0.5
76.02754	0.3
78.91922	1.0
83.01402	1.3
83.05037	0.5
88.98818	11.7
89.02460	0.5
93.03473	0.7
101.02557	0.4
107.01421	3.4
111.00927	0.4
113.02488	0.4
123.00935	0.4
124.01691	4.3
125.02470	2.7
133.03001	0.4
135.04590	0.5
139.00368	0.7
141.02034	0.6
151.00394	13.1
152.01187	21.7
153.01593	1.0
161.02473	1.6
162.03290	0.8
163.00494	0.4
163.04041	1.5
163.11331	0.5
169.01503	1.8
178.27457	0.4
178.99884	20.7
180.00235	1.0
183.14037	0.4
185.85103	0.4
189.01965	1.1
190.02744	0.5
191.03583	1.7
191.05647	0.8
192.00694	0.4
193.01399	0.5
207.10301	0.8
209.11858	9.1
209.13721	0.7
210.12277	0.8
211.13423	5.8
217.01463	0.4
227.12955	1.4
239.13016	0.6
243.03195	0.7
253.09406	0.8
267.03040	0.5
269.04523	0.8
271.02527	1.2
271.15640	0.6
285.04053	1.6
295.02505	0.7
296.03397	1.2
297.03989	2.7
299.01971	2.5
300.02747	1.3
314.04364	3.9
315.05063	0.7
316.16779	0.7
317.17731	1.3
324.02808	0.9
325.03589	1.0
325.14328	0.4
342.04010	0.8
343.04581	2.0
343.15558	2.5
433.16406	0.8
445.20853	0.6
447.22150	0.5
451.17764	0.9
461.16434	0.6
469.18613	2.2
505.03629	0.3
505.09937	15.5
506.10419	2.6
631.24127	34.6
632.24463	7.3
641.22742	1.4
659.23584	17.4
660.23895	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	741.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15494	2.5
55.70775	2.3
61.98832	4.1
71.71772	4.0
78.95915	41.3
79.72666	2.8
96.96978	4.7
102.32790	2.9
104.11392	2.5
138.78955	2.4
152.99612	44.5
154.76038	2.5
171.00693	5.4
213.45621	3.0
227.03238	6.6
230.28038	3.2
253.21716	29.3
255.23257	11.4
277.21719	80.9
278.22040	8.7
359.93433	3.1
483.27399	9.7
487.76523	2.9
505.25766	100.0
506.26260	19.0
612.19110	2.7
651.85675	2.8
741.47156	33.1
742.46973	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	740.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
60.85263	0.1
61.98834	100.0
62.98534	0.2
71.01398	0.4
71.70540	0.1
73.02994	0.1
78.95927	0.4
80.31575	0.1
81.03498	0.1
83.05052	0.1
89.02439	0.2
90.37782	0.1
93.03496	0.2
101.02480	0.2
109.02980	0.3
113.02483	0.2
125.02548	0.2
152.99638	0.3
161.02573	0.1
173.04601	0.3
182.97733	0.1
187.97809	0.1
191.05641	0.5
195.13950	0.2
209.11845	3.1
209.13725	0.2
210.12257	0.4
211.13480	0.5
212.13773	0.2
227.12927	0.4
235.08372	0.1
253.09357	0.5
277.21704	0.8
279.23364	0.1
280.23651	0.3
291.19623	0.2
293.21350	0.5
294.21692	0.3
295.22803	2.1
309.20721	0.2
336.63611	0.1
397.13629	0.2
398.14032	0.2
399.14270	0.2
505.25879	0.4
722.24408	0.1
740.42499	0.1
741.47162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03439	0.5
58.00603	0.6
59.01382	4.2
61.98835	1.8
71.01387	4.9
73.02951	1.4
78.95899	1.5
80.02686	0.7
81.03481	0.9
83.01402	0.7
83.05034	3.6
84.02215	0.3
85.02984	1.3
87.00885	0.7
89.02458	2.8
93.03463	0.3
95.05023	0.5
98.20721	0.6
101.02465	4.0
113.02477	2.1
119.03539	0.8
125.02520	0.3
125.09726	1.4
127.11327	1.7
133.05156	0.3
135.08192	0.7
136.61462	0.3
137.09755	0.3
139.11324	0.4
143.03525	0.4
145.05116	0.4
152.99643	1.4
155.10791	1.0
161.04544	1.4
163.11302	2.8
164.11588	0.3
165.09225	1.0
165.12898	1.7
171.10275	2.0
172.10670	0.7
179.05630	0.6
181.12357	0.6
183.10274	0.4
183.78857	0.3
191.05614	0.3
191.10838	0.8
199.09799	0.5
201.11340	38.9
202.11687	2.3
207.10355	0.4
207.46472	0.2
209.11845	82.9
210.12192	6.0
222.26709	0.3
225.11356	0.7
226.11623	0.4
227.12914	10.7
228.13254	1.2
235.05997	0.5
235.08243	7.3
236.08525	0.3
253.09290	14.0
253.21831	1.1
254.09702	0.9
277.21729	100.0
278.22064	11.9
279.22348	0.7
419.19397	0.6
426.81967	0.3
437.20209	1.7
438.20676	0.3
443.31589	1.2
445.20679	1.7
461.32892	0.7
466.53754	0.3
505.25702	3.1
506.26093	0.9
513.30646	1.6
646.95868	0.3
690.47052	0.3
723.41345	0.4
741.48206	1.3
742.46649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28425	0.1
56.39835	0.1
57.03457	0.5
59.01381	1.0
61.98836	100.0
62.98549	0.2
71.01395	0.4
71.70249	0.2
73.02961	0.1
83.01418	0.4
85.02995	0.3
87.00902	0.1
87.67795	0.1
88.98839	0.2
89.02476	0.2
93.03493	0.4
96.96043	0.1
97.03017	0.1
99.04535	0.7
101.02477	0.4
108.02194	0.2
109.02994	0.4
113.02462	0.2
116.92876	0.1
123.04604	0.1
125.02419	0.5
126.02831	0.1
133.03065	0.1
135.04564	0.3
137.02507	0.2
152.01230	0.2
153.01979	0.1
155.03529	0.1
161.02444	0.4
161.04593	0.2
163.87201	0.1
166.02745	0.1
173.04527	0.6
177.01950	0.5
178.02402	0.2
179.03583	0.2
179.05696	0.1
187.07755	0.3
189.01981	0.1
191.03893	0.1
191.05632	1.2
200.21556	0.1
227.03458	0.1
230.76474	0.1
231.06784	0.1
231.10460	0.1
271.02380	0.1
275.09348	0.3
290.07544	0.1
300.02927	0.1
306.02411	0.1
309.00546	0.1
339.05289	0.1
341.06519	0.1
413.22003	0.2
433.07947	0.1
460.07809	0.1
515.25116	0.8
516.25531	0.2
517.25836	0.2
518.26294	0.3
570.11407	0.2
588.12982	0.1
740.30353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
57.03438	0.5
58.00601	0.6
59.01387	5.0
60.23042	0.2
61.98841	1.4
63.34882	0.2
71.01386	5.6
72.99311	0.7
73.02959	1.0
74.14631	0.2
78.95934	0.3
80.26382	0.3
81.03492	0.3
83.01402	0.4
83.05033	0.9
85.02961	0.8
85.69662	0.2
87.00877	0.6
89.02455	2.4
93.03461	0.4
95.01422	0.8
95.05050	1.8
97.02966	1.4
97.06580	0.3
98.20028	1.4
99.00886	0.3
99.04556	0.3
99.08229	0.3
101.02461	3.4
105.54709	0.2
106.04327	0.3
109.02975	0.5
109.06623	2.4
110.03772	0.7
111.04542	0.9
111.08170	0.3
113.02460	1.7
119.03551	0.6
119.84196	0.3
122.71626	0.2
125.09734	1.3
127.07612	0.3
127.11321	1.5
131.03575	0.4
131.17567	0.3
131.18555	0.2
135.08179	0.4
141.01941	0.3
142.84233	0.2
143.03581	0.4
153.09227	0.7
161.04591	1.4
161.09755	0.8
163.11334	3.7
165.09279	0.3
171.10295	100.0
172.10632	4.7
173.04608	0.5
179.05653	1.1
179.10777	1.0
181.12360	1.0
185.11890	0.7
189.09245	2.3
191.05554	0.6
197.11862	0.9
201.11449	0.6
205.08696	0.4
207.10283	8.2
208.10568	0.6
209.11823	0.5
220.61275	0.3
225.11336	41.2
226.11678	2.6
227.12798	0.4
235.08209	2.8
243.12390	1.2
253.09312	8.2
254.09604	0.4
275.20120	0.5
277.21738	60.7
278.22076	7.5
279.23145	0.4
407.19281	3.0
408.20410	0.3
436.15518	0.3
443.19278	2.9
461.20319	8.9
462.20441	1.3
513.30573	0.4
623.25726	0.3
721.41803	3.1
722.42511	0.6
727.68536	0.3
739.42719	0.7
752.09961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
57.03447	0.6
57.04023	0.2
58.00591	0.3
59.01380	5.7
59.01674	0.3
60.64026	0.1
61.98838	1.3
69.03467	0.3
71.01387	3.5
71.03248	0.2
71.03603	0.3
71.05035	0.4
72.99310	0.3
73.02959	0.8
75.00891	0.5
78.95928	0.3
80.02689	1.0
81.03454	0.9
83.01408	0.5
83.05034	4.2
83.05529	0.2
84.02183	0.6
85.02964	1.0
87.00906	0.8
89.02446	2.0
91.04063	0.2
93.03523	0.2
95.01398	0.2
95.05067	0.9
96.96060	0.3
97.02936	0.4
97.06616	0.4
99.00863	0.2
101.02458	3.4
106.87984	0.1
109.06586	0.4
111.08211	0.4
113.02470	1.8
113.09721	0.3
119.03540	0.8
121.10240	0.5
125.02507	0.5
125.06110	0.4
129.01927	0.2
130.56987	0.2
131.03548	0.2
131.57397	0.2
133.05142	0.2
135.04626	0.2
135.08202	0.5
136.20871	0.2
137.02428	0.2
138.06892	0.2
138.59074	0.2
141.09326	0.2
143.03542	0.3
145.04996	0.2
153.09291	0.3
161.04584	1.9
163.11327	3.3
164.11658	0.2
165.12875	1.7
167.10722	0.3
171.10275	2.1
173.04550	0.2
179.05626	0.6
179.10904	0.2
179.14450	0.7
181.12386	0.7
191.05634	0.5
191.10796	0.9
195.13933	7.0
196.14519	0.6
203.13347	0.2
205.12419	0.4
205.15948	0.2
209.11852	100.0
210.12195	7.6
211.13423	1.1
217.41483	0.2
223.13391	4.3
224.13934	0.3
227.12904	12.1
228.13342	1.3
231.21230	0.5
235.08246	2.1
235.17062	0.5
249.22357	0.2
253.09290	18.1
254.09605	0.8
256.13174	0.9
265.21756	0.5
275.20175	7.8
276.20511	1.0
291.19684	0.3
293.21228	80.9
294.21576	9.6
328.98425	0.2
340.37570	0.2
445.20593	1.2
485.32681	0.3
492.21985	0.4
503.33472	0.2
529.30157	0.9
569.56738	0.2
595.58527	0.2
629.67896	0.2
670.35864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.1
57.03448	0.3
58.00599	0.2
59.01379	3.2
61.98830	2.4
66.19340	0.1
69.03458	0.2
71.01384	2.6
71.05010	0.2
71.71275	0.2
72.99303	0.2
73.02948	0.5
75.00872	0.1
76.87291	0.1
78.95927	0.2
80.02682	0.9
81.03453	1.0
83.01394	0.5
83.05031	4.1
84.02190	0.6
85.02948	0.7
85.06615	0.2
87.00883	0.6
89.02445	1.7
93.03448	0.2
95.01373	0.2
95.05057	0.6
97.02959	0.2
97.06646	0.3
101.02465	2.2
102.02812	0.1
109.02972	0.1
109.06614	0.4
111.08196	0.4
113.02458	1.1
114.21461	0.1
117.01416	0.1
119.03521	0.5
121.10256	0.2
125.02493	0.2
125.06078	0.5
125.09766	0.1
135.08162	0.5
143.03542	0.3
145.05083	0.3
147.11813	0.2
151.00430	0.3
161.04616	1.2
163.11313	3.6
164.11690	0.3
165.12859	1.9
166.13127	0.2
170.58890	0.1
171.10243	0.7
178.99881	0.4
179.05678	0.3
181.12274	0.6
183.13896	0.4
191.05624	0.3
191.10828	0.7
195.13914	2.3
196.14319	0.3
205.12378	0.2
209.11839	100.0
210.12169	6.8
211.13417	0.6
212.68196	0.1
223.13425	1.7
227.12891	10.4
228.13281	1.1
231.21248	0.2
234.14291	0.1
235.08224	2.7
235.17079	0.2
249.96014	0.1
253.09282	9.9
254.09669	0.5
256.13239	0.2
265.21552	0.1
275.20154	3.5
276.20715	0.3
277.04651	0.1
277.22061	0.2
293.21222	36.6
294.21561	4.2
300.03021	0.1
397.41891	0.1
409.13248	0.2
409.63321	0.2
432.51392	0.1
445.20743	1.5
446.21173	0.2
463.21747	0.2
529.30499	0.1
670.35785	0.2
680.61517	0.1
738.80566	0.6
739.30872	0.4
739.42755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
67.01904	0.8
71.01382	1.7
71.70535	1.2
72.99319	5.1
81.03476	1.0
83.05070	1.2
85.02966	10.0
87.00903	2.9
93.03473	11.1
95.01366	1.1
95.05035	2.9
99.04538	0.9
105.03483	3.5
107.05095	1.6
109.02984	3.8
110.41030	0.7
111.04533	4.4
121.02979	9.1
122.03763	1.6
123.00893	1.5
123.04554	6.5
124.01669	1.1
125.02466	1.3
127.04012	2.1
129.01944	1.0
133.02979	13.2
134.03819	4.6
135.04553	37.0
136.04889	1.5
137.02484	8.1
139.04024	7.2
149.02475	16.8
150.03200	1.3
151.04059	6.4
155.03519	3.0
161.02463	2.7
162.05652	1.0
165.01961	2.0
167.03485	6.1
173.04572	17.8
176.01186	3.8
177.01985	8.2
178.02599	1.5
179.03526	29.5
180.03868	1.3
188.03621	1.3
191.05647	100.0
192.05972	5.6
193.01453	16.5
194.02104	1.6
195.03008	4.7
206.04578	0.9
211.02478	3.6
225.05562	0.9
241.05000	1.1
247.04465	1.3
267.06531	2.8
275.03412	0.9
293.04544	2.6
311.05432	2.0
337.03488	3.6
337.96738	0.9
351.07159	3.1
352.08011	5.8
353.08817	48.4
354.09073	5.6
355.04620	1.0
367.06619	1.3
369.08350	3.9
370.08035	0.8
385.07742	10.2
386.07846	1.2
414.33224	0.9
485.10556	1.3
527.24268	0.9
529.09570	1.6
578.54614	0.9
703.15192	1.1
726.39581	1.0
739.19531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29702	0.4
57.02028	0.4
57.03436	1.4
59.01382	1.2
60.48788	0.4
65.00350	0.7
67.01907	0.4
69.03461	0.6
69.90604	1.0
69.91003	2.5
71.01385	0.5
71.31101	0.5
81.03467	1.8
83.01398	3.5
85.02975	0.9
89.03984	2.4
91.32980	0.4
93.03469	2.6
95.01382	0.4
95.05043	2.4
96.96028	0.5
97.02956	4.1
102.41127	0.5
105.03444	0.8
107.05048	0.9
108.02194	1.2
109.02963	25.6
110.03304	1.0
117.03477	1.4
121.02988	2.9
122.03774	1.2
123.04548	10.2
125.02468	15.4
126.02849	0.6
133.02975	11.1
134.03296	0.5
135.00926	0.4
135.04535	2.5
137.02463	20.5
138.02882	0.5
139.04042	2.7
145.02963	1.3
146.03763	0.7
147.04556	1.0
148.01675	0.5
149.02473	4.2
150.03276	2.8
151.04025	11.0
159.04539	3.3
160.01759	0.5
160.05322	1.0
161.02466	22.9
161.06100	4.0
162.03116	2.2
163.00377	1.0
163.04092	1.2
164.01137	2.6
165.01921	3.4
167.03493	1.1
173.02539	0.7
173.04610	1.1
174.03300	0.6
175.04013	3.1
175.07622	1.1
176.01199	1.9
177.01947	100.0
178.02295	5.0
179.03506	5.1
183.04607	0.6
185.06136	0.9
187.04036	3.5
188.04762	2.4
189.01955	9.3
189.05531	0.7
190.02539	1.1
191.03601	0.6
191.05621	8.0
192.05928	0.6
197.05928	0.5
201.01927	1.6
201.05472	2.1
202.06320	1.3
203.03529	4.2
203.07158	9.3
204.07471	0.9
205.01402	1.2
205.05042	6.1
206.08211	0.7
209.06239	0.5
215.03471	2.5
216.00652	3.7
217.01418	5.0
217.08594	0.6
219.02969	0.5
221.08189	1.4
227.03531	5.9
227.07150	1.9
228.04099	0.7
229.01433	5.3
229.05045	0.7
231.02893	1.0
237.05623	0.6
239.03470	2.0
240.04227	0.5
240.81227	0.5
241.05080	0.8
243.02974	0.9
245.04482	2.5
245.08185	12.8
246.08493	0.8
247.06100	1.2
249.05736	0.5
251.03519	0.7
251.06790	0.5
253.05133	1.0
255.03020	1.2
255.06732	1.3
257.04501	1.6
265.05045	0.7
267.03110	0.5
269.04553	1.4
271.06140	1.0
279.03018	1.1
280.03696	1.3
281.04507	2.7
282.05017	0.6
283.02350	0.6
283.06110	1.2
285.04095	0.7
287.05591	9.1
289.07169	50.1
290.07520	4.8
293.04471	1.4
295.02652	0.7
295.06033	1.1
297.04047	1.8
297.07693	0.6
299.05740	2.4
307.02371	2.3
308.03275	1.2
309.03830	0.8
311.05524	1.1
321.04053	5.7
322.04453	1.2
325.03455	2.4
327.05249	0.6
329.06604	1.4
337.03506	1.0
337.07159	1.4
339.05112	29.3
340.05380	2.8
341.06604	1.0
381.06049	0.7
407.07526	2.5
409.09171	0.7
415.08554	0.6
417.06244	3.9
418.06296	0.6
433.09219	1.9
435.07181	12.4
436.07394	2.0
449.08731	17.4
450.09244	2.5
451.10278	10.6
452.10583	1.4
459.07266	7.2
460.07657	0.7
477.08203	1.9
543.12598	0.8
569.10834	8.9
570.11621	2.1
587.11975	22.9
588.12152	4.8
611.12677	1.0
629.13477	2.4
721.15771	1.4
722.16803	0.6
739.16852	22.0
740.17096	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	739.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96534	0.4
57.03450	1.9
61.98842	0.8
64.51364	0.4
67.01884	0.5
69.03477	0.6
69.65822	2.2
69.66227	1.0
71.01386	0.8
72.91680	0.5
81.03480	1.6
83.01392	4.0
85.02958	1.0
88.98808	1.1
89.03978	3.3
91.01907	1.1
93.03466	3.2
95.01443	0.7
95.05032	2.1
97.02979	3.1
105.03440	0.6
106.00134	0.5
107.05032	0.9
108.02188	1.3
109.02969	24.9
110.03323	0.6
117.03490	1.2
119.05064	0.6
121.02985	2.8
122.03795	0.9
123.04544	9.2
125.02461	15.0
126.02768	0.8
132.02213	0.7
133.02989	11.7
135.00957	0.7
135.04602	2.2
137.02464	20.2
138.02809	0.4
138.93019	0.5
139.04047	2.5
145.02971	1.3
146.03668	0.4
147.04536	0.9
147.34828	0.5
149.02470	4.1
150.03236	2.7
151.04041	8.9
159.04556	3.2
160.05309	1.1
161.02467	25.8
161.06091	3.1
162.03098	2.1
163.00414	1.2
163.04025	1.8
164.01186	2.3
165.01991	2.7
167.03503	1.5
173.04646	0.8
173.06015	0.7
174.03203	1.2
175.04007	3.5
175.07623	1.0
176.01167	1.4
177.01952	100.0
178.02304	4.6
179.03537	3.9
185.02515	0.7
185.06151	0.8
187.04008	3.5
188.04788	2.6
189.01953	9.0
189.05470	0.5
190.02473	0.7
191.05579	4.6
199.07716	0.6
201.01936	1.1
201.05566	2.0
202.06267	1.0
203.03551	3.9
203.07158	8.3
204.28526	0.5
205.01456	2.1
205.05058	6.9
206.05312	0.7
211.04156	0.6
212.04790	0.6
213.05582	0.8
215.03502	2.4
216.00684	4.6
217.01416	5.0
219.02956	0.5
221.08221	1.8
225.05498	0.8
227.03514	7.0
227.07149	1.2
229.01443	4.5
229.05083	0.8
231.02982	0.9
231.06459	0.5
235.03922	0.5
239.03468	1.8
240.04152	0.6
241.05125	0.7
245.04614	2.6
245.08176	10.7
246.08514	1.7
247.06244	0.9
249.05515	0.5
251.03534	0.8
253.04910	1.2
255.02985	1.8
255.06615	1.9
256.09726	0.7
257.04556	1.0
257.10318	0.6
265.04993	0.9
266.05505	0.5
267.02792	0.7
269.04547	1.4
271.02463	1.0
271.06052	1.0
277.05188	1.1
279.02994	0.9
280.03699	0.7
281.04529	3.2
283.02631	0.8
283.05978	1.2
287.05576	8.1
288.05957	0.7
289.07184	46.7
290.07480	3.9
293.04532	1.8
294.04974	0.5
295.02594	0.9
295.06042	1.0
297.04034	1.9
299.05685	2.3
300.02777	1.0
307.02371	1.8
308.03256	1.6
309.03998	0.7
311.05676	0.7
321.04065	6.7
322.04648	0.6
325.03802	2.4
325.06912	0.4
325.67618	0.5
329.06631	1.1
337.07172	1.4
339.05115	24.9
340.05658	2.9
341.06644	1.9
351.05066	0.4
391.07913	0.6
407.07687	1.2
409.09225	0.6
417.06155	3.5
418.06735	0.5
431.07535	0.7
433.09271	1.7
435.07208	12.7
436.07550	1.9
449.08762	18.7
449.14929	1.0
450.09180	2.7
451.05713	0.4
451.10330	10.3
452.10645	1.6
459.07217	7.3
460.07330	1.4
477.08087	1.6
491.10049	0.6
543.13373	0.8
569.11035	7.4
570.11121	1.6
587.12012	23.0
588.12335	5.1
609.14685	0.9
611.12134	0.9
629.13190	2.3
630.13763	1.1
695.17639	0.6
700.28766	0.5
721.15808	1.5
722.16644	0.8
739.16797	20.9
740.16949	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	739.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81486	0.6
57.03453	2.5
59.01385	1.3
61.98834	0.7
64.97932	0.6
71.01401	1.4
71.14648	0.6
71.28163	1.3
72.14908	0.6
81.03481	1.6
83.01405	4.6
83.05054	0.6
85.02973	1.3
85.25656	0.5
87.11031	0.5
88.98838	1.2
89.02482	0.8
89.03972	3.2
91.01900	0.6
93.03493	2.5
95.01386	0.6
95.05042	1.9
96.96035	1.3
97.02980	3.2
99.04547	0.7
100.43427	0.6
101.02465	1.2
108.02186	1.5
109.02972	23.1
110.03324	1.1
113.02451	0.5
117.03485	1.3
121.03005	2.5
122.03805	0.7
123.00901	0.6
123.04557	10.0
125.02465	15.4
126.02823	0.7
132.02261	0.6
133.02979	11.2
135.00899	0.9
135.04524	3.0
137.02478	19.5
138.02843	0.6
139.04022	3.2
145.02948	1.5
147.04492	0.6
147.06671	0.7
149.02441	4.6
150.03256	2.8
151.04028	10.9
153.01910	0.6
158.54407	0.5
159.04532	3.0
160.05257	1.0
161.02467	25.9
161.06035	3.3
162.03009	2.2
163.00388	1.8
163.03995	1.5
164.01187	2.2
165.01953	3.5
167.03558	0.9
173.04628	1.9
173.06007	0.7
174.03293	0.6
175.02731	0.6
175.03992	3.5
175.07640	1.1
176.01184	2.4
177.01953	100.0
178.02319	5.9
179.03523	4.0
183.03104	1.2
185.02405	0.7
187.04059	3.7
187.07613	0.7
188.04814	2.5
189.01926	10.0
190.02689	0.9
191.05592	7.9
192.05992	0.8
201.01999	1.8
201.05640	1.6
202.06381	1.0
203.03508	4.1
203.07162	7.6
205.01469	1.6
205.05074	5.6
211.04108	0.5
213.05498	0.8
215.03558	2.7
216.00656	4.1
217.01436	4.5
217.05083	0.7
218.01747	0.7
221.08156	1.4
223.07793	0.6
225.05656	0.9
227.03520	7.5
227.07117	2.0
229.01430	5.2
231.02956	0.9
239.03474	2.5
241.05089	0.8
243.02928	0.9
245.04576	2.6
245.08180	10.8
246.08557	1.3
247.06120	1.3
249.05441	0.6
251.03506	0.7
252.04118	0.7
253.04980	1.5
255.02965	1.6
255.06682	1.5
257.04556	1.1
265.05072	0.9
267.03000	0.7
267.06464	1.4
269.04581	2.0
271.02512	0.8
271.06070	0.9
279.02917	0.7
280.03534	0.7
281.04791	2.6
283.02478	1.0
283.06232	1.7
287.05569	9.1
288.06036	0.7
289.07196	39.0
290.07532	4.4
290.33243	0.6
293.04520	2.4
295.05975	1.1
297.04053	2.1
299.05594	2.5
307.02481	2.3
308.03198	1.6
309.03912	0.9
311.05774	0.8
313.03705	0.6
321.04068	7.1
322.04370	0.7
325.03595	4.3
329.06668	1.5
337.03372	1.3
337.07172	1.3
339.05133	28.5
340.05322	3.4
341.06561	2.0
407.07864	1.8
409.09143	0.9
417.06201	4.7
418.06525	1.0
433.09363	2.9
435.07211	13.4
436.07510	3.0
449.08829	18.5
450.09042	2.3
451.10330	9.2
452.10580	1.5
459.07202	7.5
460.07455	1.4
477.08157	1.9
501.22717	0.7
543.13214	1.2
569.11005	9.9
570.11127	1.9
587.12048	25.7
588.12335	5.9
629.13049	2.0
721.15179	1.0
739.16772	22.6
740.17023	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	738.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.3
60.50518	0.1
61.98834	100.0
62.98542	0.3
71.01412	0.2
71.69879	0.2
71.97735	0.1
78.95912	0.3
85.02970	0.2
93.03495	0.5
111.04569	0.1
125.02495	0.2
135.04601	0.2
137.02512	0.2
161.02403	0.2
163.23457	0.1
173.04573	0.7
191.05655	2.0
192.05977	0.2
209.11844	0.7
210.12254	0.2
225.11537	0.1
268.36185	0.1
471.31348	0.1
635.31445	0.3
653.32239	0.3
658.61383	0.1
671.32788	0.2
739.33759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
60.99318	0.2
61.98835	100.0
62.98549	0.1
70.38870	0.2
71.01411	0.2
78.95943	0.2
85.02984	0.3
88.98820	1.2
93.03497	0.6
98.19830	0.3
109.03028	0.2
125.02474	0.2
128.35114	0.2
134.03819	0.2
135.04562	0.4
136.96307	0.2
137.02483	0.4
146.12447	0.2
162.17082	0.2
173.04573	1.2
179.03563	0.4
191.05644	2.5
197.11845	0.3
209.11919	0.2
515.18225	0.2
532.71741	0.2
550.98889	0.2
738.31970	0.3
763.41504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72004	0.1
57.03434	0.1
58.97038	0.1
59.01382	1.8
61.98834	100.0
62.98542	0.3
69.03468	0.1
69.39122	1.0
71.01400	0.9
71.05041	0.2
72.99342	0.2
73.02952	0.1
75.00889	0.2
76.72558	0.1
80.02702	0.2
81.03490	0.2
83.05030	0.7
85.02972	0.3
87.00899	0.2
89.02464	0.5
93.03504	0.2
97.02956	0.1
101.02454	0.8
107.01447	0.1
108.47147	0.1
109.06618	0.2
113.02490	0.4
119.03521	0.1
123.08094	0.1
124.97216	0.1
125.02480	0.3
126.66779	0.1
140.40303	0.1
151.03973	0.1
161.04623	0.3
163.11272	0.6
165.12849	0.2
171.10286	0.5
173.04539	0.2
183.13913	0.1
191.05637	0.4
191.10945	0.1
195.13924	0.7
198.80466	0.1
207.10284	0.2
208.03841	0.1
209.11845	17.7
210.12253	0.3
211.13380	0.4
223.13454	0.5
227.12900	2.1
228.13451	0.1
231.21242	0.1
235.08231	0.4
235.17076	0.1
253.09296	2.2
256.13159	0.1
275.20218	1.1
277.21808	0.4
278.22192	0.4
279.22986	0.3
288.75702	0.1
291.19669	0.4
292.20029	0.3
293.21237	10.1
294.21460	0.2
299.01999	0.1
398.13895	0.2
399.13925	0.3
400.14178	0.2
417.14777	0.1
445.20898	0.2
471.97409	0.1
580.77808	0.1
580.87738	0.1
721.28400	0.2
738.30042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23605	0.0
59.01380	0.4
61.98833	100.0
62.05867	0.1
62.98541	0.2
70.46592	0.1
70.46980	0.1
71.01402	0.2
89.02464	0.2
101.02471	0.1
113.02479	0.1
118.13867	0.1
125.02486	0.1
131.73721	0.0
209.11842	0.3
227.12895	0.1
235.08295	0.1
277.21881	0.2
278.22058	0.2
279.22467	0.1
293.21359	0.1
317.80856	0.1
350.68219	0.1
369.89169	0.0
395.83569	0.0
397.13409	0.1
398.13721	0.2
399.13867	0.3
400.14667	0.2
417.15189	0.1
474.05222	0.0
690.45319	0.1
738.30994	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.1
70.18552	0.6
72.99329	0.9
83.01379	0.7
98.20717	1.2
106.96568	0.4
107.01399	1.5
108.02168	1.2
109.02983	1.7
116.05067	2.7
121.02988	1.8
128.05086	0.7
130.06639	1.0
142.06648	54.7
143.07011	3.8
148.01779	0.8
149.02516	0.7
151.00385	8.8
152.01137	0.9
157.12341	0.7
158.06133	5.9
163.00404	2.6
169.01500	1.0
178.99886	5.1
186.05624	25.6
187.04178	0.5
187.05992	1.6
201.05597	1.0
203.12897	4.2
204.06674	38.9
204.13196	1.5
205.06970	1.9
208.14622	0.5
211.04152	0.5
216.04166	0.6
227.03535	1.4
229.04997	0.6
232.09058	0.5
239.03526	0.8
243.03011	4.1
245.04611	1.3
245.13947	3.2
246.07716	25.8
246.14250	1.6
247.08102	2.8
254.02242	0.9
255.02988	14.6
256.03436	1.8
271.02472	27.0
272.02811	3.2
273.03909	1.6
283.02539	1.6
299.02094	0.8
300.02768	55.6
301.03488	44.8
302.03900	5.0
447.09344	100.0
448.09671	15.8
449.10184	0.6
526.55896	0.5
578.40564	0.5
683.41272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
58.17902	0.3
59.01379	5.9
61.98837	2.5
69.03484	0.3
70.82660	1.0
71.01386	4.1
71.05035	0.4
72.99312	0.6
73.02964	0.7
80.02702	1.0
80.96519	0.4
81.03467	1.3
83.01396	0.7
83.05040	4.1
84.02145	0.7
85.02969	0.8
87.00893	0.6
89.02459	2.3
93.03499	1.0
95.05052	1.1
97.03017	0.8
97.06622	0.4
101.02454	2.9
109.02911	0.3
109.06607	2.4
111.08170	4.1
112.80285	0.3
113.02483	1.4
114.27605	0.3
119.03542	0.6
123.04564	0.5
125.02492	1.0
135.08189	0.5
137.02472	0.4
137.09807	0.4
149.04691	0.3
151.00391	0.6
151.04109	0.5
161.04575	1.1
161.09726	0.4
163.11319	3.8
165.12889	2.1
165.14079	0.3
167.10828	0.8
171.10281	0.8
173.04564	1.0
177.12900	0.8
179.05562	0.5
179.10767	0.8
181.12390	1.1
191.05617	2.6
191.10852	0.7
195.13948	2.9
197.11917	0.7
201.47040	0.3
207.10291	6.4
208.10645	0.4
209.11850	100.0
210.12189	6.8
211.13335	0.3
223.13559	0.4
225.11334	3.0
226.11760	0.4
227.12901	14.1
228.13269	0.9
235.08214	3.0
247.20657	0.8
253.09300	9.4
254.09666	0.7
273.18597	0.7
277.21729	0.9
291.19656	54.0
292.19983	5.1
293.21225	4.6
301.03506	0.4
409.13120	1.1
445.20947	2.1
446.21246	0.4
447.09048	0.3
461.20230	1.1
483.30936	0.5
509.27515	0.8
527.28741	2.3
608.20258	0.6
719.40039	0.6
737.28021	0.6
737.40662	3.1
738.30261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80613	0.2
55.01876	0.7
57.03455	1.0
59.01383	5.1
61.98835	0.4
67.01904	0.3
69.03464	4.3
70.61194	0.5
70.61557	0.4
71.01390	4.5
71.05032	1.3
72.99313	0.4
73.02947	1.1
76.60641	0.2
78.95904	0.6
81.03480	0.3
83.01418	0.6
83.05030	0.7
84.71214	0.2
85.02961	1.2
87.00880	1.0
89.02458	2.1
93.03442	0.3
95.01395	0.5
95.05029	0.3
95.79183	0.2
97.02972	0.8
97.06609	0.8
99.00876	0.4
101.02454	3.6
101.03514	0.2
109.06612	0.4
111.04572	0.2
111.08149	0.3
113.02473	1.8
119.03497	0.5
122.03696	0.2
123.04643	0.2
123.08183	1.4
125.02512	0.3
125.09742	2.2
127.07620	0.3
133.05104	0.3
137.09781	0.4
143.03589	0.3
145.05057	0.4
149.09732	0.4
151.11308	2.7
153.12903	0.9
161.04555	1.2
161.09750	4.0
162.10117	0.2
165.09134	0.2
169.12363	2.3
173.04570	0.2
179.10806	7.4
180.11130	0.3
191.05692	0.4
197.11852	45.7
198.12195	2.5
205.08730	0.2
209.48549	0.2
223.09825	1.2
225.11327	0.7
233.22771	0.4
235.08232	0.6
241.10855	1.8
246.35204	0.2
253.09268	3.3
257.04388	0.2
259.20609	0.4
262.07516	0.2
275.20145	0.4
277.21732	53.3
278.22055	5.6
279.23322	0.3
293.21356	0.3
330.39148	0.2
459.18692	0.9
477.19962	1.2
478.20160	0.3
516.55896	0.2
575.35803	0.4
719.40027	0.3
737.41351	100.0
738.41693	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82487	0.5
57.03437	0.6
59.01381	11.5
59.83031	0.4
61.98835	4.6
69.03458	0.9
69.68241	0.5
71.01391	6.7
72.31506	0.5
72.99330	0.4
73.02961	1.5
78.95911	0.6
80.02683	1.5
81.03462	2.2
83.01394	0.8
83.05028	3.4
85.02971	2.5
87.00894	1.7
89.02465	3.6
93.03477	1.3
95.05068	0.9
97.02956	7.0
98.19908	1.1
99.00894	1.6
101.02472	7.5
107.05048	1.2
109.02960	0.6
109.06609	35.7
109.86970	0.5
110.03732	1.3
110.06943	1.3
110.88952	0.5
111.00919	0.9
111.04520	0.6
111.08148	0.8
113.02480	3.8
119.03523	1.4
121.06599	2.7
121.10267	0.6
123.04540	3.2
125.02451	1.1
125.09727	0.9
135.08188	4.9
136.05293	1.3
142.02744	1.6
143.03545	0.6
145.05075	1.1
145.10254	0.6
161.04543	3.2
161.09723	2.0
163.11302	20.7
164.11612	0.9
165.09288	0.5
171.10294	2.9
173.04506	1.1
179.05701	0.9
179.10812	1.1
179.14450	0.8
181.12369	4.0
189.09258	3.0
191.05612	3.3
195.13933	9.0
195.15604	0.4
196.14372	0.5
207.10283	100.0
208.10611	6.9
209.11856	6.6
211.13344	1.2
223.13391	5.6
224.13885	0.5
225.11336	37.2
226.11679	2.6
227.12827	1.0
229.32463	0.6
235.08278	5.4
243.12370	0.9
253.09299	23.3
253.45691	0.6
254.09731	1.3
256.12970	0.6
265.21799	0.5
275.20148	9.1
276.20447	1.1
277.21622	0.9
279.23230	0.7
281.13965	1.0
291.19791	3.3
293.21228	97.4
294.21585	10.4
299.14944	1.5
439.32022	0.7
443.19183	5.4
444.19321	0.6
457.33636	1.3
461.20306	11.9
462.20544	1.5
483.31024	1.2
492.21890	0.6
501.31985	1.0
529.29907	1.2
719.40106	2.6
720.39801	0.7
737.41321	41.0
738.29480	0.8
738.41614	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	737.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51374	0.2
55.01868	0.2
57.03445	1.0
58.00585	0.2
59.01382	5.9
61.98819	0.3
67.01878	0.3
68.39997	0.2
69.03461	3.4
70.21573	0.5
71.01389	4.7
71.05029	2.4
72.99304	0.5
73.02961	0.8
81.03489	0.3
83.01409	0.5
83.05044	0.6
85.02974	1.0
87.00880	0.6
89.02453	2.2
91.59927	0.2
95.01420	0.4
97.02937	0.4
97.06610	0.7
99.00876	0.4
101.02454	3.8
108.02158	0.2
111.04552	0.3
113.02467	2.1
119.03551	0.7
123.08195	0.8
125.09759	2.0
133.05135	0.2
137.09772	0.3
143.03502	0.3
149.09741	0.3
151.11319	1.8
153.12894	2.1
154.69696	0.2
161.04565	0.8
161.09743	2.8
169.12305	0.8
179.05589	0.2
179.10797	5.9
180.11215	0.4
187.07654	0.2
191.05605	0.3
197.11850	86.2
198.12172	5.5
205.08707	1.3
207.10199	0.2
223.09825	1.7
233.22820	0.3
235.08223	0.5
241.10831	4.3
253.09299	3.1
259.20581	0.3
275.20294	0.4
277.21735	27.5
278.22067	2.8
278.24899	0.3
279.23178	0.3
433.20914	0.5
459.18808	0.9
477.19821	2.1
478.19958	0.3
575.35925	0.3
682.01477	0.2
719.40485	0.9
737.41333	100.0
738.41644	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01379	1.8
61.98834	54.4
62.98539	0.5
63.99262	0.5
69.03484	0.3
71.01387	1.9
71.69950	0.4
73.02976	0.5
80.02707	0.7
80.10453	0.2
80.96535	0.3
81.03487	0.9
83.01407	0.4
83.05037	3.4
84.02191	0.7
85.02964	1.5
87.00911	0.7
89.02460	1.1
93.03489	2.1
95.05037	0.5
96.45667	0.3
96.96029	0.3
97.02918	0.3
101.02435	1.5
102.72153	0.3
109.02988	0.6
109.05013	0.3
111.04538	0.6
113.02470	1.0
119.03461	0.4
125.02470	0.7
125.06097	0.5
125.09664	0.3
133.02968	0.4
133.05197	0.3
135.04584	0.7
137.02469	0.4
140.15256	0.3
151.04042	0.4
155.03529	0.4
158.35487	0.2
161.02457	0.4
161.04565	1.0
163.11319	3.2
165.12865	1.9
171.10315	0.9
173.04576	3.0
177.01970	0.4
179.03526	0.3
179.05585	0.3
181.12306	0.4
191.05624	10.3
191.10818	0.9
192.06026	0.6
196.64348	0.3
209.11845	100.0
210.12184	7.7
214.02693	0.3
225.11357	0.3
227.12904	14.0
228.13234	0.8
235.08308	2.0
243.03027	0.4
253.09280	5.0
255.03018	0.7
259.15543	0.5
260.81580	0.3
273.17078	0.4
289.07385	0.3
299.02072	0.4
300.02597	0.3
301.03525	0.3
407.07825	0.4
445.20728	3.8
446.21283	0.6
447.07251	0.4
448.08685	0.3
452.98468	0.3
576.09576	0.3
591.11731	0.5
592.12494	0.4
637.32422	0.7
655.33459	0.4
657.49518	0.3
691.52258	0.3
737.18652	0.3
738.18372	1.6
738.31177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03429	1.1
58.00587	1.6
59.01384	32.2
61.98843	3.5
65.03920	0.4
68.99834	0.4
69.03468	1.9
69.88177	2.4
71.01389	30.0
71.07088	0.4
72.99323	2.6
73.02951	4.6
75.00852	0.7
80.89284	0.4
81.03470	1.7
83.01405	2.8
83.05023	0.8
85.02967	5.3
86.00059	0.4
87.00385	0.6
87.00885	6.6
89.02460	23.8
90.02773	0.5
93.03447	0.6
95.01403	2.3
95.05039	0.4
97.02957	5.5
98.19870	0.6
98.20458	0.9
99.00900	2.1
101.02461	22.3
102.02810	0.6
102.48807	0.4
103.04056	0.6
109.02969	0.7
109.06615	3.2
111.00891	0.6
111.04531	1.2
113.02464	12.0
115.04047	0.5
117.11026	0.4
119.03526	5.9
121.02943	0.6
123.04543	0.4
125.02461	9.8
131.03508	1.0
137.02435	0.6
141.01932	0.7
141.15855	0.4
143.03542	3.5
149.04584	0.8
155.03462	0.4
159.79045	0.4
161.04561	5.3
163.11287	1.6
167.03506	0.6
169.05078	0.6
173.04526	0.8
179.05632	4.9
181.12384	0.5
185.04666	0.7
191.05592	2.0
192.97704	0.4
195.13934	0.5
207.10281	9.0
208.10623	0.9
209.11862	3.4
210.12276	0.4
211.13350	0.6
217.07207	0.9
221.06651	2.0
225.11330	4.0
226.11710	0.4
235.08244	11.0
235.16975	0.4
253.09300	3.7
263.07727	1.1
275.20096	1.7
277.09198	0.7
279.23297	82.4
280.23630	10.0
287.07712	3.4
291.19681	2.6
293.21262	6.8
293.24420	0.6
294.21527	0.8
305.08820	4.3
313.03595	0.4
323.09845	1.4
347.26028	0.4
388.81555	0.4
397.13544	100.0
398.13892	10.2
415.14581	33.4
415.20334	0.7
416.15042	2.9
418.62106	0.5
461.19974	0.7
477.81345	0.4
677.37897	3.7
678.38507	0.7
719.40521	0.4
735.04822	0.4
737.41327	3.3
738.41876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67961	0.5
55.30508	0.4
57.03434	1.0
57.34700	0.5
57.80129	0.5
58.86665	0.4
59.01385	2.7
61.98835	25.7
63.96252	1.4
69.03481	0.4
69.94251	3.4
71.01389	9.8
72.99335	0.7
73.02957	2.1
75.36843	0.5
78.95927	1.1
78.98610	6.1
79.95748	14.3
80.96527	72.6
81.03467	1.5
83.01410	0.6
83.05035	1.4
85.02969	4.1
87.00891	3.0
87.01388	0.5
88.98808	1.1
89.02450	0.8
93.03456	2.5
94.98102	15.4
96.96030	1.5
97.02975	1.4
98.19961	0.7
99.00887	1.3
101.01830	0.8
101.02446	4.0
106.98092	2.9
109.02974	1.5
109.06616	0.5
113.02460	1.1
116.92875	1.2
122.97611	3.9
125.02473	3.8
127.04053	1.0
133.02907	0.7
134.97607	5.9
135.04527	1.0
136.99174	1.4
137.02425	0.8
143.03511	0.7
148.99153	6.4
151.00491	0.5
151.03984	0.7
152.97627	0.6
152.98697	6.1
161.04555	0.9
163.11285	0.9
164.98650	13.5
169.12369	1.1
171.10257	4.3
173.04590	3.2
179.00032	0.6
188.98592	0.7
191.05644	14.1
197.11832	4.0
206.99734	3.3
207.10242	0.5
209.11853	17.9
210.12241	2.4
215.12869	4.0
225.00754	26.7
226.00925	1.1
227.12770	2.6
235.08266	0.6
253.09329	1.2
283.05093	0.6
445.20535	0.9
451.21869	0.7
473.90521	0.5
503.13715	0.6
509.16953	4.8
592.25604	0.7
663.33289	1.1
705.34033	0.7
737.30743	100.0
738.31055	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02674	0.3
59.01379	21.8
59.22583	0.4
61.98820	0.7
62.15348	0.3
65.00325	0.6
66.91032	0.3
71.70769	0.6
71.71111	0.5
83.01360	0.8
93.03454	0.5
107.01406	1.1
108.02229	0.5
109.02964	0.9
120.12473	0.4
121.02975	1.1
127.11279	2.7
133.02979	0.7
133.13359	0.4
139.11292	1.3
148.01607	0.5
151.00392	6.2
155.10814	1.4
157.12367	16.9
158.12677	0.8
163.00421	1.9
176.15672	0.4
178.99930	3.1
179.03406	0.4
181.01341	0.4
185.11850	14.5
186.12216	1.1
189.02075	0.4
191.05612	3.2
202.48068	0.4
203.12897	100.0
204.13220	6.9
211.03995	0.8
227.03560	1.4
229.05042	0.5
243.02983	3.1
244.03525	0.5
245.13939	71.1
246.14279	5.6
254.02280	0.7
255.02968	10.0
256.03421	1.0
261.97043	0.4
271.02481	20.5
272.02945	1.9
283.02490	0.9
285.04050	7.6
286.04315	1.0
300.02771	45.1
301.03482	28.5
302.03851	2.5
321.04849	0.4
344.47156	0.4
373.06152	0.4
383.15424	0.4
447.09348	64.5
448.09659	9.0
699.92297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.1
61.98833	100.0
62.98528	0.2
62.99269	0.0
69.74668	0.1
69.75079	0.2
71.01403	0.1
80.96519	0.1
85.02975	0.1
93.03489	0.1
99.00909	0.1
113.02461	0.0
125.02469	0.0
135.04575	0.0
137.02446	0.1
151.00455	0.0
173.04562	0.2
175.03983	0.0
177.01898	0.0
180.71460	0.0
191.05618	0.8
192.05905	0.0
209.11880	0.3
210.12291	0.1
212.34966	0.0
253.09451	0.0
255.03081	0.1
269.04474	0.0
271.02570	0.0
273.17288	0.0
296.03232	0.1
299.02097	0.1
300.02856	0.1
407.07712	0.1
411.24197	0.0
507.97208	0.0
579.17963	0.0
640.14648	0.1
736.29974	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.7
59.01378	1.5
61.98822	0.6
62.68232	0.4
63.37196	0.4
65.03969	0.4
71.01382	1.7
71.71153	0.7
73.02951	1.6
81.03455	0.7
82.50819	0.4
83.01395	0.5
83.05045	2.0
85.02956	2.5
87.00878	0.7
89.02486	0.8
89.03982	0.5
91.23795	0.4
93.03469	14.4
93.83420	0.3
95.01420	0.5
99.00885	0.8
99.04577	0.4
101.02450	0.4
105.03468	1.3
107.05046	0.9
109.02962	2.6
111.04539	4.9
113.02480	0.8
117.03441	0.5
121.02941	0.6
123.04491	0.5
124.01717	0.4
125.02470	1.3
127.04006	0.5
132.02159	0.7
133.02977	17.1
134.03662	3.0
135.04544	93.2
136.04877	4.3
137.02451	8.6
147.04575	0.7
149.02457	1.0
150.03201	0.8
151.04041	0.9
152.01151	0.4
155.03528	2.3
159.04562	0.8
161.02463	32.8
162.02802	1.7
162.57158	0.4
163.03941	0.5
164.01044	0.4
173.04602	5.8
174.03339	0.4
175.04004	1.0
176.04782	0.4
177.01938	7.5
178.02374	1.3
179.03516	88.0
180.03882	5.2
189.01805	0.5
191.05632	14.7
191.07347	0.9
192.05977	0.5
195.40948	0.4
201.01952	0.4
208.99223	0.6
216.00650	0.5
217.01346	0.4
219.02998	1.1
223.06049	0.7
227.07095	0.4
229.01352	0.7
229.08762	0.4
243.02882	0.6
245.08185	0.5
263.88040	0.4
265.05002	0.6
283.05792	0.7
285.04114	0.9
295.06033	0.5
295.51382	0.4
309.04169	0.5
333.06107	2.9
334.06650	1.8
334.22244	0.4
335.07721	100.0
336.08081	10.4
339.04971	2.2
357.09634	0.7
383.08511	0.4
397.08963	0.6
401.11252	0.7
531.14783	1.3
694.60138	0.4
705.15143	0.5
737.17938	2.9
738.17902	0.7
760.67706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98545	0.2
62.99271	0.1
70.45759	0.2
70.46169	0.1
82.37852	0.1
109.06654	0.1
138.72029	0.1
168.92833	0.1
200.28589	0.1
209.11937	0.1
715.39587	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03440	1.1
58.00595	1.6
59.01385	28.6
61.98833	2.6
66.26396	0.3
69.03470	1.8
71.01389	30.0
71.18736	0.7
72.01745	0.5
72.13446	0.3
72.99308	2.1
73.02948	4.8
75.00886	0.4
78.95901	0.5
81.03465	1.5
83.01383	2.8
85.02965	6.4
87.00884	5.1
89.02457	23.1
90.02797	0.4
91.04019	0.8
93.03511	0.5
95.01402	1.9
97.02962	3.6
97.21361	0.3
99.00886	1.5
99.94225	0.3
101.02461	22.9
103.00368	0.3
103.04009	0.6
109.02966	0.5
111.04509	1.0
113.02472	10.2
115.04025	0.4
119.03523	6.6
121.03008	0.5
121.66496	0.3
124.01703	0.5
125.02466	9.1
127.04047	0.4
127.07662	0.5
131.03493	1.3
133.05090	0.9
139.04001	0.8
141.01971	0.6
143.03532	4.0
149.04610	0.8
155.03490	0.4
161.04582	5.7
167.02148	0.4
179.05656	4.4
191.05624	0.6
199.06129	0.4
200.56500	0.4
207.10178	0.4
209.11734	0.5
217.07118	0.5
221.06689	1.5
225.11349	0.3
235.08241	10.4
236.08620	0.7
242.66425	0.4
245.06450	0.6
253.09241	2.0
263.07629	1.0
277.09369	0.8
277.21738	71.0
278.22079	8.7
287.07742	3.5
305.08810	4.4
305.88708	0.3
321.59024	0.4
323.09808	1.2
343.44180	0.4
379.12338	0.8
397.13541	100.0
398.08954	0.5
398.13864	9.0
415.14584	33.2
416.14880	3.3
567.74603	0.4
675.36176	2.8
676.36682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01388	3.7
61.98834	100.0
62.98547	1.0
63.99262	0.6
67.01894	0.5
69.03473	1.4
69.40502	3.8
69.40922	1.6
71.01398	4.4
73.02962	0.9
78.95938	0.9
80.02704	0.9
81.03510	1.2
83.01397	0.7
83.05035	3.7
84.02166	0.7
84.08768	0.5
85.02961	1.5
87.00890	1.1
89.02470	2.2
93.03492	1.4
95.05058	0.9
97.02973	1.2
97.06638	0.5
99.92574	0.6
101.02463	2.7
109.03009	0.6
109.06602	1.0
111.04545	0.7
113.02500	1.7
116.92931	2.5
119.03545	0.9
125.09782	1.4
135.08174	1.3
137.02425	0.9
137.31125	0.5
152.01190	0.5
157.17494	0.5
161.04622	1.4
163.11319	4.6
164.11545	0.6
165.12880	1.7
169.12395	3.1
171.10287	7.7
172.10580	0.9
173.04591	1.7
179.03482	0.6
179.05693	0.6
179.10768	1.1
181.12378	1.0
182.39450	0.5
185.11882	0.8
189.01990	0.6
191.05641	2.9
191.10735	1.0
197.11861	47.2
198.12254	3.6
201.11400	3.8
207.10281	7.6
209.11858	75.0
210.12181	5.6
211.13390	2.1
225.11392	4.9
227.12901	10.4
235.08276	3.5
238.08864	0.9
239.12881	7.4
253.09343	8.2
255.67476	0.6
271.15588	1.3
273.17078	20.8
274.17444	2.0
415.19760	0.9
433.20810	4.1
445.20856	3.1
446.21313	0.7
461.20660	0.9
475.08875	1.1
475.17349	0.7
493.18695	0.7
607.31415	0.8
625.32483	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12632	0.1
59.01375	0.2
61.98834	100.0
62.98538	0.2
70.53964	0.3
80.96552	0.1
93.03465	0.1
101.96462	0.1
106.70602	0.1
109.82839	0.1
152.99620	0.1
171.10291	0.8
171.11623	0.1
172.10596	0.5
173.04597	0.3
173.10924	0.1
191.05814	0.2
277.21783	0.2
277.91135	0.1
278.22107	0.3
279.22409	0.1
281.24979	0.1
313.18262	0.1
333.99649	0.1
468.32376	0.1
651.42297	0.1
730.47992	0.1
731.37286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98833	100.0
62.98533	0.2
62.99262	0.1
70.92642	0.2
70.93053	0.1
78.95896	0.1
83.50460	0.1
171.10278	0.6
172.10661	0.3
173.10928	0.1
181.87277	0.1
191.05699	0.1
209.11986	0.1
218.57501	0.1
232.41980	0.1
277.21719	0.4
278.22031	0.5
279.22491	0.2
398.28271	0.1
444.00870	0.1
731.37421	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98539	0.2
62.99260	0.1
84.19665	0.1
98.20755	0.1
116.46661	0.1
117.14884	0.1
147.75938	0.0
149.68500	0.1
149.91122	0.1
152.31956	0.1
191.05585	0.1
197.11824	0.1
207.10391	0.1
386.21170	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03450	100.0
58.03791	1.8
59.01381	85.9
60.01706	1.0
61.98841	0.9
69.80807	0.4
71.01386	16.5
71.71403	0.6
73.02950	5.9
81.03485	1.4
82.59158	0.5
83.01393	4.4
83.05023	0.6
85.02963	8.8
87.00872	0.7
89.02455	1.2
93.03468	3.9
95.01413	1.9
96.79247	0.4
97.02977	1.2
99.00888	2.9
99.04535	95.5
100.04886	1.9
101.02457	33.3
106.27080	0.5
106.87247	0.5
108.02153	0.8
111.04537	1.5
113.02466	8.2
119.05039	8.5
125.02465	35.2
126.02780	1.1
128.54892	0.4
135.04530	0.5
137.02470	3.2
143.03517	4.9
145.02956	1.2
153.01862	0.6
155.03506	1.9
159.03011	2.3
161.04587	9.9
163.04037	7.2
173.04597	0.6
179.03476	0.7
183.02882	0.6
191.05690	1.0
223.54010	0.5
236.04253	0.4
269.10297	20.4
270.10666	2.0
300.02716	1.1
311.11371	20.2
312.11636	1.4
319.08221	6.8
351.14511	5.9
355.10184	0.7
369.15640	1.1
413.14557	67.9
414.14908	8.5
414.20276	0.7
433.07556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
60.74576	0.2
61.23753	0.2
61.48454	0.2
61.98833	100.0
63.75968	0.2
63.99260	0.4
69.52922	0.8
69.53353	1.0
71.01405	0.5
80.96516	0.2
81.03442	0.2
83.05025	0.2
85.02961	0.2
88.98817	0.5
89.02424	0.2
93.03468	0.3
109.02956	0.2
116.92890	0.5
134.06044	0.2
151.00414	0.2
153.09271	0.2
163.11377	0.3
169.12411	0.5
173.04509	0.3
191.05589	1.0
197.11852	10.5
207.10387	0.3
208.10425	0.2
209.11852	9.1
210.12326	0.3
211.13417	0.2
227.12950	1.5
235.08099	0.2
253.09416	0.7
273.17020	0.2
318.14502	0.2
336.12210	0.4
383.21680	0.2
433.20840	1.2
445.20908	0.5
586.32214	0.2
607.31500	0.3
615.52454	0.2
616.62170	0.2
625.32831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36321	0.2
58.87850	0.2
59.01379	0.7
60.99268	0.2
67.01904	0.6
69.03472	0.2
70.13548	0.9
71.01391	0.7
81.03473	0.3
85.02961	6.0
87.00887	1.6
93.03470	4.2
94.03840	0.3
99.04488	0.3
109.02993	0.9
111.00883	0.3
111.04530	1.1
116.92868	0.2
119.05098	0.3
125.02440	0.2
127.04032	1.4
131.03746	0.2
133.02959	1.2
134.03810	1.0
135.04549	8.2
136.04845	0.6
137.02469	0.5
155.03499	0.7
159.04465	0.2
161.02429	2.2
163.04030	0.3
171.02971	0.4
173.04568	7.6
174.04916	0.4
175.02650	0.2
179.03516	7.2
180.03824	0.5
188.88892	0.2
189.01730	0.9
191.05629	100.0
192.05980	4.4
201.01779	2.3
216.99103	0.6
236.53815	0.2
351.07245	0.4
353.08798	21.9
354.09161	2.5
375.06943	8.0
376.07339	0.6
391.04462	1.5
503.99512	0.2
567.12238	0.2
729.16119	0.7
730.15106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01378	22.2
61.98817	0.8
69.03459	1.6
70.28164	3.2
71.01386	9.4
72.99306	1.0
73.02935	1.6
80.02681	2.0
81.03468	5.3
83.01387	1.3
83.05040	6.8
84.02194	0.8
85.02969	4.7
87.00875	2.4
89.02451	4.1
93.03469	2.2
95.01398	1.2
95.05041	1.5
97.02968	10.0
97.06602	2.4
99.00896	2.3
99.04539	0.7
101.02454	7.8
107.05051	2.1
109.02964	1.4
109.06607	48.7
110.03737	3.1
110.06921	1.4
111.04552	0.7
113.02463	4.8
119.03492	1.2
121.06618	3.5
123.04543	0.9
123.08182	1.6
125.02438	1.0
125.06152	1.0
125.09741	7.8
135.04582	0.8
135.08179	7.2
136.05292	3.3
142.02740	3.4
145.05057	1.1
145.10220	1.5
149.19469	0.7
161.04572	2.2
161.09781	4.6
163.11314	26.5
164.11671	1.2
165.09293	1.1
171.10242	1.7
173.04645	1.0
175.11324	1.5
178.99840	0.9
179.10872	1.8
181.12379	6.7
187.09808	2.7
189.09262	2.4
191.05626	2.1
191.10776	1.6
194.47247	0.7
199.02831	0.6
203.10719	0.7
205.08717	0.8
207.10274	100.0
208.10606	8.1
209.11829	12.8
210.12256	1.0
217.12463	0.8
217.20499	0.7
219.10214	1.2
223.09695	3.3
223.13484	1.0
225.11322	43.4
226.11652	3.5
229.12381	0.9
235.08295	3.5
235.13432	1.4
237.00839	0.7
237.11278	1.6
243.12457	0.9
245.11919	1.0
253.09309	8.5
262.97531	0.7
263.12811	2.9
286.11887	0.7
299.14954	1.5
325.18021	1.0
326.14969	0.8
327.19586	1.0
345.20779	1.2
353.17667	1.4
353.21426	1.0
361.20087	1.1
369.20740	1.6
371.18597	2.9
371.22318	2.6
379.20422	0.9
387.21689	3.0
389.19272	3.3
397.20206	5.6
405.17966	0.9
405.22791	1.2
407.20999	0.8
415.21262	14.8
416.21466	2.4
433.22620	4.9
443.19199	3.0
461.20230	12.3
462.20718	2.0
532.14624	1.0
597.28870	3.6
598.30206	1.1
607.27563	12.8
608.28058	4.0
623.30841	1.9
625.28864	26.2
626.29053	5.7
633.29285	12.5
634.29883	2.7
651.30371	59.6
652.30627	14.1
669.31384	31.2
670.31726	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
61.98819	0.8
64.57840	0.3
65.03956	1.1
69.03429	0.6
70.89420	1.1
71.01389	4.9
73.02958	2.2
83.01409	0.4
85.02959	2.7
87.00868	0.5
89.02455	0.7
93.03472	55.6
94.03808	2.3
95.01394	1.2
97.02977	0.6
99.00908	2.9
101.02460	2.2
108.02191	59.8
109.03030	7.1
110.03361	0.5
113.02457	2.0
119.05024	0.4
121.02989	1.1
123.00876	0.6
123.04593	0.9
125.02436	0.5
131.03464	0.4
133.02969	0.6
134.03761	1.1
135.04544	2.1
137.02470	68.9
138.02794	3.0
143.03488	0.5
145.03017	0.4
149.69231	0.3
151.00293	0.7
151.04056	1.3
152.01178	90.3
153.01675	3.8
154.02316	0.4
159.03001	0.4
160.01767	0.4
161.04601	3.1
163.04033	3.2
165.01979	0.7
175.04088	0.5
177.01965	1.4
178.02704	0.4
179.03519	1.3
184.95360	0.4
188.04778	0.4
191.03621	0.3
191.05566	0.6
193.05028	0.6
207.02986	0.8
209.47701	0.3
211.03868	0.4
266.62524	0.4
271.08124	1.4
284.29196	0.4
297.06021	0.7
299.02011	0.6
340.84372	0.3
403.12479	1.2
429.10333	0.7
447.11545	1.2
567.19739	0.8
591.15698	1.0
609.16797	7.2
610.16687	1.0
729.19025	100.0
730.19360	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	729.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
57.03435	0.7
59.01388	2.3
61.98829	0.7
65.03957	0.9
69.03458	0.5
69.45753	0.4
69.46161	3.0
71.01389	5.4
72.99332	0.3
73.02954	2.2
77.17029	0.3
80.74023	0.4
83.01396	0.8
85.02952	2.4
87.00892	0.6
88.98802	0.4
89.02455	1.3
91.75318	0.3
93.03472	61.1
94.03805	2.5
95.01389	1.0
97.02982	0.5
99.00897	2.7
101.02470	2.6
108.02193	62.2
109.03033	7.2
113.02443	2.3
114.93415	0.3
119.05054	0.6
121.02946	0.9
123.00909	1.0
123.04533	0.7
125.02457	1.2
131.03523	0.8
133.02966	0.5
134.03764	2.0
135.04562	2.7
137.02469	74.8
138.02802	3.1
145.03015	0.5
145.32373	0.3
149.72997	0.3
151.00330	0.6
151.04037	1.7
152.01181	90.8
153.01718	4.3
154.70387	0.3
159.03003	0.5
161.02492	0.7
161.04622	2.6
163.04037	3.8
165.01945	0.5
175.04041	0.6
176.38734	0.3
177.01938	1.3
178.02606	0.4
179.03522	0.9
183.88806	0.4
191.05656	0.8
193.05063	0.6
207.02982	0.8
271.02386	0.6
271.08249	1.3
285.04041	0.7
299.02139	0.8
300.02774	0.5
301.03595	0.4
315.07306	0.3
403.12396	1.0
429.10168	0.4
447.11523	1.6
464.99701	0.4
567.19080	1.1
591.15546	1.1
609.16895	7.7
610.16907	1.1
693.20612	0.5
729.19031	100.0
730.19342	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	727.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73808	0.2
56.01544	0.2
59.01384	18.7
60.01712	0.4
61.98803	0.3
70.27453	0.5
70.27852	0.4
71.01388	2.3
71.45970	0.2
73.02969	0.5
78.95918	0.6
83.01395	0.3
83.31366	0.2
85.02973	0.7
87.00912	0.3
89.02482	1.5
89.93224	0.2
93.19147	0.2
95.21085	0.2
97.06577	0.2
98.20510	0.4
101.02457	1.5
113.02521	1.0
118.84563	0.2
119.03582	0.2
121.42248	0.2
125.09756	0.6
125.12138	0.2
127.07724	0.3
127.11302	1.2
140.53505	0.2
145.05112	0.4
152.99631	0.6
153.09251	0.4
156.22702	0.2
161.04597	0.9
161.92307	0.2
171.10294	84.3
172.10628	4.3
179.05611	0.4
209.11964	1.1
210.12250	0.7
211.12500	0.3
235.08220	3.6
236.08958	0.2
253.09282	7.2
254.09669	0.4
255.23146	1.3
259.20532	0.3
277.21729	100.0
278.22073	11.0
279.23322	1.4
280.23657	1.6
281.24164	0.6
389.18521	0.2
407.19214	1.4
408.19498	0.2
513.30719	1.4
691.38214	0.3
709.39087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03459	0.1
55.01866	0.3
58.00623	0.2
59.01383	13.8
59.85699	0.2
61.98836	0.2
69.57034	1.3
71.01387	1.8
73.02959	0.4
78.95924	0.5
83.01408	0.2
83.60938	0.1
85.02972	0.4
87.00909	0.5
89.02456	1.1
93.03464	0.2
94.20935	0.1
101.02455	1.4
113.02444	0.8
115.69741	0.2
119.03525	0.3
125.09748	0.7
127.11327	1.3
152.99628	0.4
153.09261	0.4
161.04565	0.7
171.10294	100.0
172.10626	5.2
173.04642	0.2
179.05649	0.3
184.59787	0.2
191.05672	0.5
209.11816	0.8
210.12184	0.5
233.22815	0.2
235.08257	1.6
236.08421	0.2
253.09291	5.3
254.09631	0.3
255.23268	0.6
275.20169	0.2
277.21732	49.7
278.22083	5.4
279.23279	0.3
280.23599	0.3
407.19275	3.0
513.30811	0.5
514.30774	0.2
535.30695	0.3
583.38519	0.2
691.38080	0.2
708.08582	0.2
709.38409	0.5
727.39996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49938	1.1
55.84426	1.3
59.01381	2.0
70.13052	2.1
70.13469	4.2
71.01392	1.5
71.96875	1.1
73.02968	3.0
80.96545	2.1
81.03460	1.3
83.05035	4.6
87.00919	1.7
93.03465	27.5
98.20635	1.7
109.02974	3.5
110.44299	1.3
111.04535	7.1
130.04253	2.1
137.02444	12.4
143.05054	2.1
144.05804	1.9
145.02998	2.8
145.06587	4.0
146.03769	1.7
147.04533	6.2
148.05298	1.3
149.06134	2.0
155.03508	5.3
158.03777	5.4
159.04523	7.4
160.05309	4.2
161.02475	2.5
161.06136	1.5
163.04105	1.3
163.52144	1.3
169.16061	1.7
171.04559	7.3
171.10278	5.3
171.13936	5.2
172.05342	11.8
173.02446	4.6
173.04585	6.8
173.06091	21.8
174.03242	14.9
174.06516	1.6
175.04022	31.2
176.04684	4.9
182.03584	2.1
183.04547	4.4
185.06023	3.4
186.06891	2.7
187.04016	11.7
188.04836	10.0
189.01974	2.9
189.05569	11.6
190.06221	2.2
191.05618	4.9
191.07124	1.6
196.05371	2.4
197.02397	2.1
198.03227	7.8
199.04005	12.9
199.07764	1.3
200.04845	10.1
201.01974	1.8
201.05600	14.5
202.02686	3.3
203.03568	7.9
204.04216	4.9
209.06154	1.5
212.04840	3.0
213.02069	1.6
213.05588	4.5
214.06357	1.9
215.03558	8.6
215.07144	1.8
216.04254	18.3
217.05008	9.2
218.05849	4.6
219.06621	3.7
225.05504	1.9
227.03494	4.7
227.07114	3.0
228.04202	2.2
241.04913	1.8
243.02919	2.4
243.05113	2.7
244.03752	5.9
245.04544	13.5
246.04900	1.5
269.11707	2.2
277.21729	2.9
283.13635	1.5
284.17896	1.6
285.18491	3.4
297.18784	1.6
298.19281	2.6
299.20111	12.7
300.17325	1.7
300.20459	2.4
301.18063	3.2
309.18570	3.1
311.16528	6.0
312.17331	10.1
313.17972	5.1
314.18887	2.2
325.18130	6.9
326.18814	7.6
327.19644	62.4
328.16696	4.8
328.19952	5.9
329.17538	14.8
330.18161	5.7
337.18033	11.0
338.18607	2.0
341.17453	2.1
342.18378	3.7
343.19098	11.0
344.19955	5.9
345.20526	5.7
352.16818	3.3
353.17575	40.4
353.21799	2.4
354.18192	15.1
355.14847	2.9
355.19156	45.9
356.19525	6.3
357.17001	8.1
358.17737	3.2
367.19250	1.4
370.17883	5.1
371.18634	46.2
372.19043	7.4
373.20184	8.8
381.17062	7.4
390.20020	1.2
399.18118	33.2
400.18417	5.7
401.08624	11.2
402.09244	1.8
417.19055	4.9
418.19769	1.6
453.33710	5.4
455.31509	1.6
463.32138	4.1
481.33240	100.0
482.33456	20.0
483.30740	16.2
484.31406	3.4
491.31384	3.1
497.32443	7.4
498.33090	1.9
499.34116	9.3
500.34698	3.0
507.31097	7.8
509.32654	11.5
510.32986	1.8
523.70605	1.4
525.32153	58.0
526.32440	10.9
527.22809	23.3
527.33710	6.3
528.23035	4.1
535.30646	2.3
537.21429	2.7
543.33069	11.4
544.33649	2.6
553.31738	9.4
554.21857	3.2
554.31671	1.7
555.22369	75.5
556.22711	11.9
573.23438	31.2
573.31915	2.4
574.23846	7.6
612.74915	1.3
681.36646	78.8
682.36926	21.8
691.35272	2.7
699.37653	26.1
700.38141	6.8
709.36212	23.3
710.36169	8.1
727.36945	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	727.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33025	1.4
59.01373	9.3
61.16708	1.5
61.98836	63.5
63.02380	2.1
66.26269	1.7
70.61730	4.4
71.01387	7.5
73.02953	1.7
75.06801	1.6
78.95927	10.8
81.03452	1.7
83.01392	2.6
83.05033	3.1
85.02964	6.6
87.00855	2.2
88.98837	3.2
89.02454	3.7
92.77953	1.4
93.03486	7.8
101.02454	4.1
107.01436	3.1
109.03000	4.1
111.04529	1.8
113.02464	4.3
116.92861	3.5
119.03522	2.1
119.05066	1.7
124.01699	1.9
125.02470	3.1
133.02931	2.1
134.03806	9.5
135.04530	4.9
137.02458	5.7
145.02966	4.2
149.06029	1.7
151.00424	8.3
151.04007	1.8
155.03499	2.4
160.01665	8.3
160.50987	1.5
161.02377	2.3
163.04074	2.1
163.48515	1.9
165.05525	2.6
166.02661	1.8
167.03537	2.0
173.04581	11.1
174.03311	2.5
175.04030	10.3
177.01830	2.0
178.02731	2.8
178.99907	5.9
179.03513	5.4
189.02045	2.0
191.05653	31.5
193.05092	7.4
194.05838	1.8
201.11348	22.2
202.11636	2.3
209.11841	100.0
210.12169	6.6
210.78331	1.7
227.12921	23.8
228.13341	2.0
235.06216	1.9
235.08301	5.2
253.09456	8.6
283.13287	2.0
301.03485	2.1
301.40506	1.7
337.09201	4.9
437.20255	3.0
445.20816	17.7
446.21207	2.0
463.21997	2.0
565.17371	6.3
566.18024	2.2
629.31812	5.6
669.40387	1.8
727.33820	36.3
728.34906	8.1
756.56500	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	727.211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.4
57.12865	0.5
58.80709	0.4
59.01378	6.5
61.98834	1.4
62.05537	0.5
67.01947	0.6
69.03458	3.3
71.01387	4.9
71.71273	0.6
73.02960	0.6
77.79279	0.7
78.48541	0.5
78.95926	1.1
81.03468	2.0
83.01403	5.9
85.02943	2.9
87.00880	0.8
89.02473	1.1
93.03481	1.4
95.01408	3.1
97.02962	4.4
99.00880	0.6
99.04536	1.3
101.02455	3.0
107.01423	2.0
108.02193	3.5
109.02982	1.8
113.02468	3.2
117.94495	0.5
121.02978	1.0
123.00907	11.4
123.04486	1.3
124.01694	23.7
125.02473	79.9
126.02787	3.3
129.07520	1.1
135.04518	3.0
136.01682	0.8
137.02501	5.9
147.08556	0.8
149.02452	1.1
149.99615	39.7
151.00464	5.1
151.03979	1.1
152.01187	2.9
153.01500	0.7
157.07787	0.5
161.02553	1.2
161.04579	1.0
165.01913	0.7
167.03531	7.8
167.75218	0.6
168.00668	74.3
168.03760	2.2
169.01436	9.7
170.01836	0.5
173.04697	0.8
177.01958	0.8
179.03505	2.8
181.68416	0.6
191.05641	2.5
194.90253	0.5
195.66927	0.6
236.06726	0.5
245.06546	0.6
255.02931	0.7
263.97107	0.6
269.06653	0.7
271.02448	0.7
279.08997	1.2
287.07782	1.8
300.02780	1.9
301.03397	1.9
313.05661	5.1
314.06070	0.6
331.06738	9.1
332.07193	0.9
355.06848	0.8
373.07959	1.0
407.00070	0.6
432.94370	0.7
447.09290	2.8
448.09439	1.1
491.51709	0.6
709.20001	0.8
727.21069	100.0
728.21393	22.9
739.21777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88069	0.1
54.44318	0.1
57.03461	0.2
59.01374	0.2
61.98837	0.6
71.01395	0.2
71.70253	0.2
85.02968	0.1
89.66122	0.1
93.03484	0.4
99.92600	9.1
100.92645	0.6
101.02464	0.1
107.01413	0.2
108.02224	0.2
109.02991	0.3
111.04570	0.1
114.93454	0.5
116.92883	100.0
117.92891	6.9
117.94725	0.1
121.03013	0.2
125.02494	0.2
135.04581	0.1
137.02504	0.1
151.00380	1.0
151.03868	0.1
152.01170	0.1
158.63431	0.1
160.04070	2.0
163.04118	0.2
165.85062	0.1
171.86670	0.1
173.04614	0.1
178.99884	0.4
189.16405	0.1
191.05598	0.5
226.02682	0.1
243.03070	0.5
254.02257	0.1
255.03012	1.5
271.02454	3.2
272.02893	0.4
299.01990	0.3
300.02777	7.3
301.03470	3.2
302.03860	0.2
382.95468	0.1
474.33432	0.1
609.14789	12.4
610.15125	2.4
610.24890	0.1
673.05078	0.3
709.07465	1.0
710.08551	0.3
727.19781	0.1
728.24188	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	727.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01377	1.6
60.99274	0.4
61.98820	1.0
67.01878	0.8
69.03465	0.3
71.01376	1.7
73.02955	0.4
74.90458	0.2
77.27529	0.2
80.38350	0.2
81.03441	0.5
83.01391	0.6
83.05062	0.3
85.02960	5.5
87.00900	1.8
89.02452	0.6
93.03471	8.0
94.03777	0.3
96.96019	0.4
97.02994	0.2
99.04520	0.5
101.02437	0.4
109.02978	1.0
111.04520	1.9
113.02454	0.5
116.92847	0.5
125.02451	0.6
127.04035	1.3
133.01479	0.3
133.02977	1.7
134.03845	0.3
135.04543	8.9
136.04887	0.3
137.02457	0.4
139.48820	0.2
143.03505	0.3
145.02937	0.3
147.04533	0.3
151.00305	0.3
151.04024	0.4
152.01154	0.4
153.01947	0.2
155.03484	0.6
160.96967	0.2
161.02454	3.0
167.03532	0.3
171.02989	0.5
173.04570	11.3
174.03230	0.2
174.04875	0.5
177.01897	0.5
179.03523	2.4
191.05626	100.0
192.05963	4.9
206.08188	0.4
271.02335	0.6
300.02838	0.9
337.09317	1.8
338.09705	0.5
341.88968	0.2
351.07318	1.1
353.08780	23.0
354.09076	2.6
362.03055	0.8
365.18253	0.4
389.06461	38.3
390.06754	3.5
446.63608	0.2
466.61548	0.2
469.03500	0.2
471.11978	0.3
625.34180	0.3
647.75073	0.2
727.17365	1.2
728.15784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34904	2.2
55.01862	2.8
57.03452	6.6
59.01380	35.5
59.94778	2.3
66.76832	2.3
67.01905	2.6
69.03464	6.2
71.01389	23.7
71.70947	5.4
73.02943	13.7
81.03471	4.6
83.01403	4.5
85.02965	56.7
87.00885	100.0
93.03465	10.1
95.01392	17.0
97.02955	24.3
99.04540	3.3
103.04016	9.6
109.02969	11.0
111.00880	7.5
113.02480	15.9
115.00398	7.1
116.92892	22.0
117.57179	2.8
121.02979	3.3
125.02501	4.7
127.04016	14.4
133.03014	5.7
134.30252	2.9
135.04544	10.4
137.02478	6.5
138.54340	3.0
139.00424	15.7
145.05098	7.3
155.03558	3.9
157.01437	8.3
159.04526	2.9
169.05115	2.7
173.04543	10.9
175.02483	54.9
179.03537	9.0
181.01392	3.1
191.05620	51.4
192.05913	3.4
199.02487	34.7
201.01912	3.5
209.91704	2.7
215.05568	3.6
217.03569	21.4
229.01349	3.3
267.06201	2.8
269.33170	2.5
295.06207	2.7
303.07138	14.9
321.08224	6.4
339.05121	4.2
345.08316	9.8
353.08698	6.5
375.06952	12.2
387.09531	18.5
405.10379	8.9
535.08350	7.1
542.96063	2.8
623.14923	5.5
709.18250	19.2
710.18079	3.8
727.19769	28.0
728.19025	7.4
740.94415	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	725.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94880	0.5
59.01379	3.0
61.98862	0.5
66.41429	0.4
70.96216	0.4
71.01392	2.9
73.02956	1.1
78.95917	8.1
80.02699	1.2
81.03471	1.5
83.05033	5.1
84.31534	0.5
85.03007	1.1
86.70425	0.5
89.02474	1.7
93.03465	6.7
93.69037	0.4
95.05051	0.6
96.97010	0.5
98.20628	1.4
101.02481	1.6
109.06597	1.0
111.04546	1.8
113.02466	1.0
125.09784	0.5
127.11310	0.5
128.78833	0.4
135.08212	0.7
137.02458	3.6
152.99620	10.9
155.03543	1.2
156.24831	0.5
161.02443	0.7
161.04579	0.7
163.11319	3.8
165.12897	1.8
171.00722	1.2
171.10300	10.2
173.04588	0.7
173.06079	0.6
179.14464	0.9
183.04514	4.3
184.05319	1.5
185.06061	1.5
187.03929	1.1
191.10974	0.6
195.13954	1.6
196.05321	0.8
197.06100	1.4
197.15486	3.0
198.03378	0.7
199.04030	0.8
199.09726	1.2
201.05569	1.2
201.11307	1.1
207.10309	2.7
208.10646	0.5
209.06151	1.9
209.11853	100.0
210.03233	0.4
210.12184	7.8
211.04039	1.6
212.04779	1.2
213.05611	0.7
217.45972	0.5
222.06876	2.0
223.07813	0.5
224.04716	1.1
225.05600	4.1
225.11351	3.6
226.06422	1.2
227.03357	1.2
227.12921	10.4
228.13312	0.7
235.08078	0.9
237.05528	0.7
239.07082	1.1
243.06569	0.8
243.88574	0.5
244.06516	0.5
251.03444	0.7
251.07170	0.6
253.05144	0.9
253.09306	7.5
253.21779	2.2
254.09633	0.7
255.23369	0.6
261.13089	0.5
263.07108	0.6
277.21866	0.6
278.21909	1.1
279.23297	53.3
280.23645	5.7
295.17038	1.1
297.18628	1.0
300.17279	0.9
313.18097	10.2
313.21814	0.6
314.18460	1.4
321.18628	2.4
323.16498	0.9
324.16922	0.8
337.18146	3.1
338.18948	4.5
339.19626	7.7
340.20190	1.3
341.17542	0.7
351.19589	0.7
355.19119	1.1
357.17111	4.0
358.17319	0.8
361.10532	0.8
362.18774	0.5
363.19687	6.1
364.20294	1.0
365.17593	2.7
366.18280	2.4
371.22363	1.2
376.20432	1.4
379.19290	0.7
380.19653	0.8
383.18369	0.8
399.14246	3.9
445.20892	1.2
453.15323	2.9
465.34094	0.8
467.31604	0.9
471.16321	4.8
475.32245	12.0
476.32413	1.9
477.30164	1.7
478.30112	0.6
489.17337	0.6
491.31909	0.9
492.32474	0.9
493.33261	18.6
494.33847	3.4
513.21289	8.2
514.21777	1.6
519.31183	6.3
520.31647	0.9
525.35986	3.8
537.32007	3.1
538.31842	0.9
551.33484	0.9
569.34869	1.8
635.35962	2.9
636.35553	0.6
689.36914	1.6
693.25024	1.0
693.36713	17.3
694.37012	5.1
707.37799	6.8
708.38452	2.0
725.39124	16.6
726.39349	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	725.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85980	0.5
59.01379	6.0
61.98835	18.5
69.03463	0.6
69.66677	4.5
71.01387	14.2
72.99315	0.9
73.02985	0.9
75.00883	0.7
80.02691	1.5
81.03458	2.1
83.01408	0.6
83.05042	5.1
85.02976	1.6
87.00900	1.6
88.98817	2.4
89.02468	3.0
93.03477	1.4
95.05054	1.0
97.02961	2.9
99.00899	2.1
101.02472	4.6
109.03028	0.6
109.06611	16.6
110.03796	0.6
113.02473	2.2
119.03496	0.9
121.06656	1.2
125.06084	0.7
125.09743	1.2
134.03734	0.6
134.12563	0.5
135.04546	0.9
135.08171	2.5
142.02734	0.9
143.03534	0.8
145.05098	0.6
161.04539	1.2
161.09798	1.1
163.11316	12.5
164.11629	0.7
165.12852	1.7
171.10263	4.8
173.04480	0.9
181.12399	4.3
185.11855	2.3
187.09843	0.8
189.09267	1.1
191.05650	2.2
199.09807	0.9
201.11398	1.5
207.10286	51.3
208.10614	3.3
209.11852	100.0
210.12173	8.2
215.12582	0.6
221.11749	1.1
222.45699	0.6
225.11340	32.0
226.11664	1.9
227.12912	19.9
227.14764	0.3
228.13368	0.7
235.08183	4.0
243.12395	1.0
249.11354	1.1
253.09299	12.6
281.14218	0.8
299.15137	0.8
373.24155	0.8
399.21799	2.4
407.08743	0.6
417.22855	3.2
418.22885	0.6
443.19330	2.4
445.20798	0.7
461.20294	11.3
462.20499	1.7
549.98798	0.6
552.96252	0.7
609.29938	0.7
635.30902	4.4
636.31171	1.2
653.31921	7.3
654.32416	1.3
671.32898	10.7
672.33453	6.3
707.31030	1.7
725.31677	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	723.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62303	0.1
55.01890	0.2
57.03437	0.1
58.00598	0.2
59.01381	3.0
70.69434	0.2
70.69794	0.3
71.01386	2.4
73.02968	0.3
80.02681	1.0
81.03030	0.1
81.03470	1.1
81.17269	0.1
83.01383	0.5
83.05034	4.3
83.82816	0.1
84.02185	0.6
85.02950	0.6
87.00896	0.4
89.02451	1.5
95.01437	0.2
95.05054	0.5
97.06596	0.2
99.74271	0.1
101.02458	1.8
109.06647	0.2
113.02482	1.2
119.03496	0.3
125.06069	0.5
125.09729	0.1
127.07652	0.1
135.08211	0.6
143.03543	0.3
147.11858	0.2
161.04596	0.7
163.11305	3.2
164.11601	0.2
165.12875	2.2
179.05608	0.4
181.12392	0.5
183.96010	0.1
191.10820	0.9
205.71837	0.1
209.11847	100.0
210.10622	0.1
210.12172	6.8
227.12897	9.9
228.13231	0.8
235.08197	1.2
253.09285	7.0
254.09651	0.4
259.20605	0.2
275.20142	0.1
277.21732	46.8
278.22073	5.0
445.20828	1.2
446.20831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02533	0.4
53.27302	0.4
57.03451	1.5
59.01384	11.6
61.98838	1.3
69.03455	0.7
69.61456	4.3
71.01386	7.4
72.99334	0.8
73.02950	3.5
81.03500	2.2
83.01398	9.3
85.02966	4.6
87.00899	0.5
89.02453	2.5
93.03484	1.7
95.01398	3.4
97.02977	0.6
98.19815	0.4
99.00854	0.6
101.02464	4.7
108.02193	71.2
109.02990	32.6
109.03545	0.4
110.03344	0.9
113.02479	2.5
119.03525	0.8
121.02977	0.9
123.00855	2.2
123.04539	1.7
125.02459	5.0
133.02979	1.0
134.03789	1.2
135.00914	0.7
135.04564	1.8
137.02463	0.7
151.04024	2.5
152.01178	69.5
153.01971	28.8
154.02351	1.1
160.01711	1.5
161.04572	1.2
163.03987	2.6
165.01970	1.8
167.03465	0.6
173.04613	0.6
173.06067	0.6
175.04007	1.7
177.02084	0.8
178.32713	0.5
179.03474	1.3
181.05148	0.5
181.43414	0.5
185.11882	0.5
191.05647	1.2
191.07231	0.8
193.05089	0.9
203.12839	1.6
207.03053	0.6
216.04352	0.8
217.05116	2.6
245.13925	1.5
273.07681	0.7
285.04056	1.2
297.06229	0.5
315.07217	35.9
316.07477	2.7
353.08609	0.5
357.08282	11.8
358.08630	1.6
397.11383	2.1
399.09351	2.5
423.09421	1.9
614.48267	0.5
707.21924	0.8
725.23114	100.0
726.23578	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	723.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03438	0.2
58.00597	0.2
59.01084	0.2
59.01380	3.5
61.98838	0.1
71.01387	3.1
71.41441	0.2
72.99296	0.2
73.02956	0.6
74.19962	0.1
78.95905	0.2
80.02684	1.0
81.03460	1.0
83.01401	0.5
83.05033	4.6
84.02165	0.7
85.02972	0.8
86.00084	0.1
87.00890	0.5
89.02457	2.4
89.49447	0.1
95.01410	0.2
95.05032	0.7
97.02975	0.1
97.06607	0.1
99.00924	0.2
101.02457	2.8
109.06609	0.3
111.08178	0.2
113.02477	1.5
119.03527	0.5
125.06116	0.4
125.09761	0.1
131.03505	0.2
133.05043	0.2
135.08176	0.5
143.03546	0.3
145.05078	0.4
147.11823	0.2
161.04607	1.0
163.10007	0.2
163.11311	3.2
164.11655	0.1
165.12866	2.2
166.13293	0.2
179.05635	0.4
181.12337	0.6
191.10841	0.8
199.13293	0.2
207.10237	0.2
209.11845	100.0
210.12181	7.6
227.12907	10.3
228.13258	0.8
233.22729	0.2
235.08252	3.6
235.10612	0.2
236.08565	0.2
253.09286	8.7
254.09624	0.5
259.20651	0.3
275.20175	0.2
277.21729	76.7
278.22073	8.6
445.20886	0.8
513.30695	0.3
723.42737	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82479	0.1
55.01893	0.2
57.03439	0.2
58.00602	0.3
59.01382	4.3
64.79408	0.1
71.01385	3.4
71.01759	0.2
72.99339	0.2
73.02955	0.9
75.00854	0.1
80.02673	0.8
81.03445	0.8
83.01403	0.7
83.05034	3.6
84.02175	0.4
85.02972	0.8
86.00135	0.1
87.00883	1.0
89.02459	1.7
91.03969	0.1
93.03513	0.1
95.01411	0.3
95.05052	0.4
97.02979	0.1
98.20647	0.2
99.00871	0.2
101.02460	2.8
103.04041	0.1
109.06597	0.3
111.08186	0.2
113.02479	1.4
119.03520	0.5
125.06103	0.4
127.07687	0.2
131.46883	0.1
133.05165	0.2
135.08170	0.5
143.03531	0.4
145.05086	0.7
145.06091	0.1
147.11781	0.1
161.04565	1.6
163.11319	2.5
164.11549	0.2
165.12891	1.6
166.13303	0.2
179.05588	0.2
181.12378	0.6
182.63298	0.1
191.10768	0.7
205.19553	0.2
209.11848	75.1
210.12189	5.6
227.12909	9.2
228.13158	0.6
233.22758	0.3
235.08237	5.5
235.10657	0.3
236.08557	0.3
253.09296	9.3
254.09627	0.3
259.20602	0.4
275.20154	0.3
277.21729	100.0
278.22070	11.3
344.94180	0.1
445.20935	0.4
509.44406	0.1
513.30701	0.3
723.43036	0.2
752.47748	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86116	0.4
56.94925	0.4
57.03451	0.4
59.01392	1.0
61.98861	1.3
63.92595	0.4
65.03986	0.9
67.01906	0.5
69.65094	0.4
71.01392	1.0
71.01952	1.3
73.02977	1.9
78.95914	1.2
79.74684	0.4
81.03486	1.1
83.05043	2.3
85.02971	0.9
93.03470	16.3
93.39811	0.5
98.19936	0.5
99.00974	0.4
101.02530	0.5
109.02989	1.5
111.04533	4.0
121.03027	1.2
123.00957	2.1
124.01694	3.9
125.02467	4.4
126.27001	0.5
135.04625	0.7
137.02472	5.8
138.03267	1.9
139.04025	3.3
153.05667	0.9
155.03586	2.0
157.06659	0.7
159.04536	0.7
159.08191	0.6
160.05222	0.6
161.02414	0.6
171.13983	0.6
172.05368	1.8
173.04605	4.0
173.06120	2.6
175.04025	0.9
185.06195	1.1
186.06905	1.5
187.04039	0.7
187.07658	19.6
188.08081	1.3
191.05580	4.8
197.06110	0.9
209.11887	0.6
211.07516	0.6
211.13489	0.8
213.05630	0.8
215.07152	3.2
216.04276	0.9
217.05086	0.8
218.05817	0.9
225.09322	0.6
231.06578	4.3
241.05083	0.9
242.05487	0.6
251.06764	0.6
253.05104	0.6
259.06186	3.7
260.06625	0.5
265.04843	0.5
265.08591	0.7
267.06702	1.0
267.10172	0.6
268.07526	0.7
273.07678	1.2
275.07114	0.7
277.05161	0.6
278.05734	0.7
279.06650	1.5
280.03979	0.9
280.07394	0.9
281.04538	2.6
281.08179	0.6
282.05362	3.4
283.06009	0.8
283.09506	0.7
292.07065	0.7
293.08264	1.8
294.05426	0.6
295.06284	3.1
295.09378	0.7
296.06952	5.0
297.07727	5.3
298.08084	0.7
309.07727	2.6
310.08444	4.2
311.09256	14.0
312.09714	1.8
321.07629	1.0
323.05444	0.6
323.20206	0.7
324.10062	1.3
325.10852	4.6
326.11615	5.1
327.19727	0.8
339.08798	1.2
339.12411	1.1
340.13113	0.9
341.14020	5.1
341.21194	9.9
342.21701	1.0
349.10828	1.0
351.12421	1.4
354.11145	1.4
355.08206	1.0
358.10544	0.8
367.12070	0.8
368.12585	0.7
369.13452	4.8
371.11270	0.8
371.18729	1.2
385.12943	4.7
385.20209	11.2
386.13358	0.9
386.20575	1.9
395.11252	1.5
413.12433	21.7
414.12704	2.7
436.19241	0.6
447.22180	0.8
451.21341	1.0
465.22922	5.4
466.23206	1.2
478.22946	0.6
479.24359	1.1
480.25528	3.2
481.25238	0.5
495.27557	12.4
496.27856	3.2
509.21939	1.1
512.24207	0.8
539.26477	36.3
540.26703	5.9
567.25909	1.3
569.16711	63.7
570.17017	11.9
602.36670	0.5
625.87378	0.5
695.30914	100.0
696.31305	26.4
718.25751	0.6
723.30219	12.1
724.30872	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	723.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01379	1.3
59.89590	0.3
60.99302	1.1
62.38774	0.2
66.26020	0.3
67.01897	2.7
69.03449	0.6
69.53496	2.4
71.01379	1.8
81.03463	0.9
83.05052	0.5
85.02953	7.0
85.03445	0.5
86.03293	0.3
87.00893	3.6
93.03468	19.5
94.03819	1.0
95.05061	0.4
99.00893	0.5
99.04519	0.5
99.70921	0.3
105.03484	1.1
107.05066	0.9
108.55079	0.2
109.02968	4.7
111.04539	3.3
111.22592	0.3
119.04989	0.3
121.02951	0.8
123.04549	6.2
127.04039	2.2
133.02975	11.5
134.03395	0.6
135.04536	5.7
136.04915	0.3
137.02460	6.0
146.03772	0.4
147.04543	3.1
148.04976	0.3
149.02454	0.6
149.06097	0.4
150.03278	0.4
151.04082	1.5
155.03510	1.2
159.04532	2.0
161.02441	1.5
171.03035	0.6
173.04570	26.1
174.04901	1.2
175.02560	0.5
175.04027	1.3
177.00450	0.5
177.01952	6.6
177.05508	0.3
179.03514	5.1
179.05080	0.3
191.05627	100.0
192.05992	4.7
195.03001	4.7
196.03285	0.3
201.01845	0.4
215.05606	2.0
219.02998	2.5
229.01468	0.5
253.05211	0.4
254.05882	0.6
267.06552	0.3
269.04425	0.3
269.04965	0.4
269.08176	4.8
270.08511	0.5
277.04987	0.4
287.09164	0.6
293.04407	0.4
295.06232	1.3
297.04099	0.4
307.08258	0.4
313.07120	0.5
321.04080	0.7
339.05026	0.5
351.07251	7.8
352.07578	0.8
353.08774	13.4
354.09048	1.6
357.06183	1.4
358.06573	0.3
367.10541	0.7
369.08258	20.7
370.08627	2.3
375.07248	1.9
513.10284	0.3
531.11652	1.7
549.12347	2.1
550.12317	0.6
705.17017	0.4
723.04968	0.6
723.17914	9.4
724.18530	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	722.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94917	0.6
57.03445	0.9
59.01391	1.2
61.98525	0.6
61.98838	12.5
63.02402	4.3
64.99986	0.8
65.00330	10.9
71.01398	1.3
71.50877	0.6
72.92939	0.6
78.95898	1.4
83.01401	7.0
85.02930	0.7
88.98810	2.4
89.02468	1.0
93.03458	1.9
95.01357	0.7
107.01406	16.7
109.02961	1.3
111.04549	0.9
123.00876	0.7
124.01694	3.0
125.02478	8.2
133.02966	1.3
135.04536	1.1
137.02481	1.3
140.47307	0.7
145.02968	0.8
151.00394	59.6
152.01210	10.2
153.02037	3.1
161.01131	0.7
161.02461	12.2
162.03268	6.7
163.00372	1.8
163.03963	1.2
169.01450	13.1
173.02336	0.7
173.04533	2.5
174.03235	1.2
175.04062	0.8
178.99883	46.1
180.00243	2.4
181.01399	1.4
187.04024	1.0
188.01146	1.5
189.01961	2.7
190.02693	4.2
191.03522	2.6
191.05595	4.2
193.01512	0.9
204.04105	0.7
207.10283	0.9
211.04012	1.4
213.05624	0.7
214.02711	0.9
217.14436	0.7
226.02969	0.8
227.03506	1.5
228.04228	0.8
235.03955	0.7
236.04794	1.0
237.05554	2.7
239.03346	1.0
240.04210	1.8
251.03587	0.9
252.04384	0.9
253.05014	1.1
256.03735	0.9
268.03683	1.2
269.04550	0.8
271.02557	1.5
271.17023	1.1
279.02930	1.4
280.03799	4.0
281.04544	11.9
281.07355	0.6
282.04883	1.4
287.16550	1.1
295.02481	2.0
296.03262	7.4
297.03961	3.7
299.02051	1.6
299.16531	2.9
300.02472	1.1
300.16830	0.7
314.04312	0.9
315.16022	9.6
316.16714	6.4
317.17432	3.8
320.03296	0.7
323.02219	1.0
323.98901	1.5
324.02765	30.7
325.03406	12.4
325.14410	0.9
326.03857	1.0
327.16046	2.2
337.03516	1.9
343.15408	1.4
344.16330	5.1
345.17084	19.4
346.17337	3.3
352.02338	1.2
353.13736	1.0
370.14206	1.1
393.17166	1.6
393.61337	0.7
411.18378	0.8
433.16498	1.1
435.18002	3.8
451.17554	7.9
452.17889	1.2
469.18692	2.6
478.16193	1.4
479.17108	25.2
480.17566	4.4
497.18161	21.9
498.18729	3.5
507.22446	8.2
533.20325	5.7
534.20721	1.4
631.24005	1.5
632.24304	2.7
640.39441	0.8
641.22321	1.4
659.23566	100.0
660.23969	23.7
660.32690	0.5
695.30994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
57.68566	0.2
59.01379	1.5
60.99318	0.4
67.01893	3.6
67.02194	0.3
69.03481	0.7
69.69368	0.5
69.69782	1.4
71.01389	2.8
73.02988	0.3
81.03485	0.8
83.05051	0.9
85.02960	4.2
85.03432	0.4
87.00864	1.1
89.03999	0.4
93.03469	19.6
94.03841	0.7
95.01394	0.2
95.05055	0.5
98.20605	0.4
99.00937	0.3
105.03486	1.6
107.05058	0.7
108.02202	0.3
109.02976	2.5
111.00936	0.6
111.04545	4.0
113.02525	0.3
117.03411	0.2
119.05086	0.4
121.02980	0.4
122.03808	0.5
123.04540	5.8
124.04850	0.4
127.04034	1.2
133.02975	15.6
134.03842	1.9
135.04561	9.2
136.04877	0.4
137.02458	5.2
138.02760	0.3
147.04555	1.7
149.02472	0.8
149.06105	0.6
151.04036	5.1
152.04385	0.2
155.03522	3.6
159.04497	1.2
161.02473	1.0
171.03046	0.3
173.04572	100.0
174.04893	4.2
175.03992	0.7
177.01949	6.6
178.02301	0.4
179.03516	9.6
180.03932	0.7
183.87750	0.2
191.05629	39.6
192.05972	2.2
193.01385	0.3
193.04967	1.8
194.02113	0.2
194.05457	1.0
195.03004	11.4
196.03308	0.5
209.11415	0.2
219.02986	1.5
229.01405	0.6
243.06731	0.4
252.91968	0.2
269.08194	1.7
295.06107	1.5
299.32339	0.2
313.07123	0.6
331.92389	0.2
339.04919	1.1
351.07278	2.0
352.07654	0.3
353.08786	13.3
354.09207	2.0
355.08963	0.3
357.06314	1.2
367.10333	1.7
368.10498	0.8
369.08234	18.4
370.08685	2.2
375.07040	0.4
505.13382	0.3
513.10370	0.3
531.11255	1.0
549.12573	1.4
550.12408	0.4
723.18115	3.5
724.17743	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	26.5
63.02399	2.2
65.00325	7.6
65.59716	1.0
69.70132	1.1
70.17025	1.3
71.01451	1.3
78.31493	1.1
78.95887	1.3
83.01416	4.4
85.02966	2.7
93.03462	2.6
95.01414	1.7
107.01407	11.1
109.02924	1.6
111.00909	1.5
123.00901	1.9
124.01686	13.6
125.02484	8.8
135.04541	1.5
139.00392	2.6
141.01938	1.2
145.03006	2.2
150.99165	2.3
151.00400	46.9
152.01184	75.2
153.01546	3.0
161.02455	6.7
162.03223	5.0
163.04070	5.3
169.01506	5.6
173.04590	4.1
175.03969	1.5
178.99886	72.2
180.00237	3.3
189.01952	3.7
190.02681	1.9
191.03485	4.4
191.05640	12.9
192.00693	1.6
205.01439	1.2
209.11743	1.5
217.01404	1.9
218.50397	1.2
229.38908	1.6
239.03557	1.1
243.03078	1.6
271.02493	4.2
281.04648	1.8
285.04196	4.5
286.04584	1.4
295.02475	2.2
296.03201	3.4
297.03983	8.6
299.02100	5.4
299.16409	1.4
300.02823	4.5
314.04343	12.4
315.04901	2.2
316.16928	2.1
317.17557	4.1
324.02905	2.5
325.03583	5.1
342.03751	2.2
343.04428	6.6
343.15518	7.7
354.97021	1.2
368.05756	1.6
395.04346	1.7
407.18140	1.2
409.60205	1.2
433.16522	2.4
451.17517	3.3
461.15894	2.7
469.18671	11.4
470.19141	1.9
505.09888	50.4
506.09979	8.4
565.91772	1.3
576.95648	1.2
631.24091	100.0
632.24500	20.5
641.22333	4.0
642.22516	2.2
659.23553	47.3
660.23920	10.2
722.15137	6.3
723.15491	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	722.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24795	0.7
61.98839	16.6
63.02403	2.7
65.00330	6.6
71.41515	2.0
83.01386	3.6
91.00935	0.8
95.01411	1.6
97.67452	0.9
107.01400	9.5
111.00852	1.5
123.00900	2.4
124.01688	14.9
125.02479	6.9
133.02968	1.0
135.04497	2.0
139.00404	1.8
141.01917	1.2
151.00400	44.7
152.01175	72.7
153.01595	3.5
161.02438	7.4
162.03189	3.9
163.04022	4.8
169.01413	4.9
172.79491	1.2
173.02428	1.3
175.04042	1.5
178.99884	65.5
180.00281	3.6
188.78770	1.0
189.01912	4.5
190.02666	1.2
191.03500	4.8
191.05338	1.1
193.01395	1.5
207.02959	1.0
217.01399	2.9
227.03487	2.1
243.03003	2.3
257.04572	1.2
264.60373	0.9
269.04489	1.9
271.02435	4.5
279.03030	0.9
285.04028	3.5
289.18176	1.0
295.02512	2.0
296.03268	5.2
297.04025	7.8
299.01953	7.1
300.02826	4.0
307.56110	0.9
313.03329	1.5
314.04343	14.0
315.04916	2.1
315.15872	1.5
316.16696	1.3
317.17490	3.7
324.02567	2.5
324.06500	0.8
325.03568	5.0
342.03790	2.1
343.04706	6.8
343.15610	6.6
344.15979	2.1
433.16516	1.1
451.17551	3.9
461.15918	3.1
468.18048	1.0
469.18655	8.4
470.18930	1.8
479.17651	1.0
505.09888	43.9
506.10162	7.2
569.17365	0.9
631.24127	100.0
632.24426	26.8
641.22760	4.4
642.22437	1.0
659.23553	67.4
660.23932	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	721.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
57.03443	0.4
57.59614	0.1
58.00606	0.3
59.01379	7.7
60.01720	0.2
61.98826	0.3
67.01904	0.2
68.99860	0.2
69.03458	0.3
71.01385	4.5
71.05069	0.1
72.99312	0.4
73.02955	1.5
75.00872	0.2
80.02685	0.6
81.03461	1.3
83.01389	1.0
83.05037	1.4
84.02238	0.2
85.02957	1.5
86.00133	0.1
87.00883	1.2
89.02458	2.3
91.04005	0.2
93.03469	0.3
95.01410	0.5
95.05025	0.3
97.02969	4.9
97.06598	0.3
98.20633	0.3
99.00895	1.0
101.01778	0.3
101.02452	5.2
106.04267	0.3
107.05072	0.5
109.03023	0.1
109.06612	16.9
109.38084	0.2
110.03728	0.8
110.06976	0.5
111.00880	0.4
111.04536	0.2
113.02470	2.2
115.04028	0.2
119.03516	1.0
121.06593	0.8
123.04556	0.5
123.08131	0.2
125.02453	0.4
125.09746	0.3
127.07697	0.2
129.01990	0.3
131.03522	0.2
133.05099	0.4
133.06560	0.2
135.08179	2.1
136.05309	0.9
136.08598	0.1
141.01958	0.2
142.02745	1.6
143.03522	0.4
145.05116	0.9
145.10249	0.2
147.08240	0.2
152.99686	0.2
161.04587	1.8
161.09747	1.0
163.11308	10.1
164.11584	0.9
179.05608	0.4
179.10797	0.6
181.12373	1.9
182.12621	0.1
189.09224	2.2
207.10280	57.7
208.10617	4.1
209.11852	1.2
225.11330	17.6
226.11610	1.1
233.22749	0.5
235.08224	6.2
243.12384	0.6
253.09279	10.7
254.09686	0.7
259.20670	0.5
263.12958	0.2
275.20197	0.6
277.21722	100.0
278.22061	11.7
281.13971	0.4
299.14944	0.8
305.13882	0.2
423.32657	0.4
441.33719	0.7
443.19250	3.0
444.19589	0.5
461.20306	4.2
462.20456	0.5
467.31720	0.6
468.32355	0.2
485.32816	0.5
513.30731	0.4
559.36523	0.5
577.37543	0.2
674.87897	0.2
687.14325	0.2
703.40387	0.7
704.41040	0.3
721.41858	26.5
722.42218	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	721.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35276	0.7
51.84897	0.8
53.00314	0.8
57.03423	0.8
59.01385	9.3
61.98835	46.9
69.03459	0.9
71.01391	82.0
71.05016	0.8
71.08830	2.3
73.02956	2.2
76.25887	0.9
76.33516	0.8
80.02681	1.2
81.03474	4.2
83.01413	1.4
83.05024	7.5
84.02164	1.5
85.02959	5.4
87.00893	3.0
88.98824	1.9
89.02467	4.0
93.03461	2.9
95.05042	2.2
97.02959	2.4
99.00893	2.6
101.02468	5.0
109.06611	12.9
113.02456	3.3
125.02426	0.9
125.06156	1.3
125.09722	3.6
127.11289	2.2
133.02986	1.1
135.04532	1.2
135.08153	2.6
137.02449	1.3
145.05113	1.0
161.04556	1.3
161.09735	2.1
163.11324	13.8
165.09297	0.8
165.12869	3.2
171.10307	23.1
173.04538	2.7
175.91302	0.7
181.12343	5.2
185.11806	2.8
189.09267	2.1
191.05675	7.8
191.10794	1.4
197.11925	1.8
199.13445	3.6
201.11372	8.9
207.10280	33.0
208.10573	3.4
209.11855	100.0
210.12199	8.2
215.12863	1.4
225.11336	31.8
226.11667	3.0
227.12901	11.4
228.13239	1.7
235.08234	4.7
243.12358	2.5
251.12842	0.9
253.09285	11.2
254.09584	1.1
265.14404	1.1
298.23993	0.8
355.23175	0.8
399.21353	2.0
417.15247	1.5
417.22849	2.7
443.19263	1.2
461.20389	8.4
462.20340	1.5
501.21701	1.1
635.31110	2.0
653.31519	3.2
671.32764	4.7
672.33148	2.5
689.34161	3.7
721.37549	4.6
722.36414	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	721.4188
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
55.01878	0.4
57.03444	0.5
59.01381	11.9
69.03461	0.3
69.70466	1.4
69.70871	0.3
71.00994	0.3
71.01391	5.3
72.99303	0.3
73.02952	1.1
80.02686	1.0
81.03455	2.1
81.04272	0.2
83.01394	0.9
83.05033	2.3
85.02949	1.7
87.00883	0.8
89.02459	3.6
93.03497	0.6
95.01418	0.5
95.05040	0.7
97.02968	6.4
97.06635	0.5
98.19840	0.3
99.00898	1.4
101.02462	4.8
106.04270	0.5
107.05056	0.9
109.06607	33.1
110.03760	1.1
110.06975	1.2
111.00888	0.3
111.04530	0.3
113.02455	2.2
119.03510	0.8
121.06609	1.9
123.04538	0.5
123.08209	0.2
125.02467	0.6
125.09785	0.4
129.01909	0.3
133.05031	0.5
133.06596	0.4
135.08186	3.6
136.05350	1.3
142.02748	1.6
143.03552	0.4
145.05078	0.4
145.10248	0.5
151.29080	0.2
161.04585	1.6
161.09775	1.7
163.11313	17.7
164.11563	1.5
165.09196	0.3
179.05588	1.0
179.10777	0.7
181.12375	4.4
185.74730	0.2
189.09219	3.1
207.10275	100.0
208.10609	6.8
209.11775	1.2
221.11795	0.3
225.11325	35.3
226.11649	2.4
235.08235	3.4
243.12424	0.7
249.11356	0.3
253.09294	13.9
254.09564	0.8
259.20511	0.3
277.21719	71.7
278.22049	7.8
281.13910	0.9
299.15057	1.3
423.32822	0.6
441.33920	1.4
443.19278	5.1
444.19864	0.4
461.20297	11.6
462.20316	1.5
467.31772	0.6
485.32831	0.5
559.35706	0.3
703.41022	0.9
704.40802	0.3
721.41870	34.4
722.42194	8.5
722.52130	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57821	0.4
55.01874	0.5
57.03440	1.9
59.01383	5.9
61.98833	8.2
64.73225	0.5
68.47418	0.5
69.03485	0.6
71.01384	6.0
71.05019	3.2
71.71446	1.2
73.02952	1.0
80.02678	0.8
81.03460	1.2
83.01385	1.1
83.05038	3.7
84.02168	0.6
85.02955	2.3
87.00919	1.3
88.98817	0.7
89.02458	2.6
93.03461	2.8
95.01384	0.8
95.05045	0.8
97.02969	3.8
97.06599	2.2
99.00895	15.9
101.02453	3.9
106.04247	0.7
108.72787	0.5
109.02956	1.2
109.06586	1.4
111.04504	0.9
113.02460	2.2
116.92899	0.8
119.05034	0.6
123.08163	1.1
125.02497	0.9
125.09742	6.2
126.10075	0.5
133.02963	0.7
135.04501	1.1
135.08145	1.1
136.05255	0.8
137.02444	1.3
142.02708	1.1
145.10211	0.9
149.02423	0.5
151.04010	0.5
161.02441	0.6
161.04535	1.5
163.10011	1.0
163.11307	13.6
163.12656	0.8
164.11603	0.7
165.12823	1.7
171.10306	10.3
173.04617	3.4
177.01917	1.0
179.05576	1.0
181.12366	16.3
189.01947	1.5
191.05626	9.8
197.11813	1.7
199.13419	9.7
205.33372	0.5
207.10287	24.6
208.10565	1.9
209.11842	45.0
210.12207	3.7
217.01402	1.1
225.11330	38.0
226.11658	2.9
227.12901	4.5
235.08260	0.7
243.12372	20.2
244.12701	1.4
253.09312	3.0
283.13312	1.2
301.14395	0.9
317.16196	0.6
341.06677	2.5
342.07153	0.7
407.19147	0.7
445.20908	0.8
461.20169	2.1
479.21268	4.5
480.21494	0.8
671.33020	3.3
672.33661	0.8
689.34106	100.0
690.34460	23.0
721.36847	8.3
722.37085	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	721.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
69.66100	1.5
69.66515	5.9
71.01408	2.0
77.03974	1.0
81.03465	1.9
82.29092	0.8
83.01404	1.5
83.05040	1.7
85.02947	1.2
91.05558	0.8
91.65002	0.8
93.03474	18.4
94.03819	1.0
95.05041	2.5
98.20601	1.2
99.04500	1.0
100.93201	0.7
105.03484	7.5
107.05011	1.7
109.02969	3.7
111.04529	5.3
121.02964	1.4
123.04520	1.9
125.02441	1.2
132.02209	1.9
133.02980	64.5
134.03241	8.8
135.04546	89.7
136.04892	4.0
137.02475	7.9
149.02461	2.8
150.03241	4.6
151.03996	1.7
153.01892	1.2
155.03535	4.0
161.02460	20.4
162.02731	1.3
173.04605	7.9
174.04932	1.0
177.00484	1.6
177.01956	16.6
178.02293	2.7
179.03523	82.2
180.03828	3.2
191.05685	8.0
243.06613	1.5
329.10953	1.0
333.06180	25.3
334.06467	5.1
335.07730	100.0
335.57681	0.9
336.08072	10.6
352.15811	0.8
353.08667	1.1
471.75986	0.9
721.22217	2.2
722.19293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83918	0.1
59.01357	0.1
61.98836	100.0
62.08124	0.1
62.98547	0.2
63.10515	0.1
71.01432	0.1
71.25464	0.2
71.25807	0.1
80.96498	0.1
86.76559	0.1
93.03492	0.2
97.02395	0.1
109.03021	0.1
111.04538	0.1
151.00444	0.1
166.77573	0.1
173.04591	0.3
179.03493	0.1
191.05621	0.5
209.11908	0.4
210.12256	0.1
211.13470	0.3
212.13799	0.3
288.02817	0.1
367.00592	0.1
419.91553	0.1
482.23474	0.1
544.80249	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45991	0.4
57.03447	2.3
58.47597	0.4
59.01389	1.8
65.57989	0.4
67.01895	2.7
69.03468	0.5
69.85091	2.5
69.85503	1.0
71.01401	1.8
73.02932	0.4
75.47160	0.5
81.03475	0.6
83.01411	0.7
83.05051	1.0
85.02960	5.1
87.00900	1.8
89.03989	1.7
93.03466	14.3
94.03815	0.5
97.02956	0.5
98.38560	0.4
99.04568	0.9
105.03506	1.2
109.02996	1.7
111.00889	0.6
111.04527	4.8
113.02429	0.5
117.03497	6.3
119.05072	0.9
125.02471	3.8
126.02821	0.6
127.04041	1.2
133.02971	6.1
134.03767	76.6
135.04579	23.3
136.04877	1.1
137.02460	4.0
147.85457	0.4
149.06120	6.0
151.04071	1.0
152.84160	0.4
153.33517	0.4
155.03545	3.9
156.03851	0.5
159.04514	0.6
161.02461	2.6
163.04079	0.9
171.03029	0.6
173.04584	45.5
174.04897	2.9
175.03984	1.0
177.01939	2.3
179.03529	22.2
180.03835	1.6
191.05644	42.3
192.05994	2.0
193.05084	100.0
194.05428	5.8
237.05386	0.5
239.07132	0.5
242.05959	0.7
243.02930	0.9
269.04654	0.8
283.06229	0.6
289.07397	1.1
293.04437	1.1
304.91974	0.5
311.05588	1.0
329.06564	0.7
337.03409	0.9
351.07181	3.4
353.08804	30.9
354.09366	2.6
355.04352	0.6
367.10364	54.6
368.10696	6.3
373.09390	0.9
395.15656	0.6
503.11374	0.5
529.09650	2.5
530.10437	0.5
547.13965	0.6
702.73901	0.5
721.18774	1.6
722.18842	0.7
745.07538	0.5
747.02588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99396	0.1
57.03440	0.2
59.01382	1.9
61.98835	100.0
62.98516	0.2
67.08820	0.1
67.38639	0.1
71.01385	1.2
73.02956	0.3
78.95937	0.2
83.01415	0.5
85.02968	0.6
88.98811	0.2
89.02442	0.4
93.03498	0.4
94.60791	0.1
95.01442	0.2
96.96056	0.1
101.02464	0.7
101.64248	0.1
105.54569	0.2
109.02957	0.3
113.02482	1.0
114.02862	0.2
119.03523	0.2
120.15861	0.2
125.02486	0.3
135.04553	0.4
137.02486	0.3
143.03545	0.2
161.04611	0.6
162.04929	0.3
163.11310	0.2
171.10283	1.7
173.04623	0.4
179.03621	0.2
191.05643	1.1
197.12029	0.2
203.05667	0.2
207.10358	0.2
209.11850	2.8
225.11311	0.9
227.12929	0.4
252.06847	0.4
253.09386	0.2
306.92496	0.1
331.53375	0.1
371.21463	0.2
385.12680	0.2
461.21021	0.2
575.27490	0.3
576.27515	1.2
577.28174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07394	0.1
55.49822	0.1
59.01389	0.2
64.47947	0.1
67.01884	0.2
69.03480	0.1
70.28734	0.3
70.29129	0.3
71.01373	0.2
85.02966	0.6
87.00922	0.2
90.11694	0.1
93.03476	1.7
105.03478	0.2
109.02954	0.3
111.04520	0.4
116.05077	2.0
116.93118	0.1
121.02980	0.5
123.04538	0.3
131.03876	0.1
133.03000	1.2
134.03748	0.7
135.04550	3.0
137.02496	0.3
139.04063	0.3
149.02469	1.1
151.04025	0.5
155.03563	0.2
159.03363	0.4
160.04070	100.0
161.02490	0.3
161.04416	5.9
173.04578	4.1
173.05815	0.1
175.04028	0.2
177.01929	0.7
179.03522	2.7
184.99374	0.1
191.05627	7.2
192.06006	0.3
192.90903	0.2
193.01419	0.5
193.05095	0.4
195.03046	0.2
204.03052	4.0
205.03433	0.3
256.34262	0.2
265.04956	0.1
267.06711	0.2
311.05545	0.3
337.03650	0.5
351.07263	0.7
353.08804	5.2
354.09152	0.4
366.08340	47.7
367.08740	4.9
369.08115	0.3
432.78055	0.2
529.09949	0.2
598.15540	0.1
645.91602	0.2
649.70129	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03462	0.4
58.00602	0.2
59.01376	2.7
61.98833	3.1
69.03452	0.2
69.46919	1.2
71.01385	3.0
71.05038	0.2
72.99333	0.3
73.02952	0.5
80.02676	0.7
81.03471	1.5
83.01391	2.2
83.05032	4.6
84.02173	1.6
84.05357	0.1
85.02969	1.0
87.00896	0.6
88.70023	0.1
88.98805	0.3
89.02458	1.9
93.03458	1.0
95.01396	0.1
95.05043	0.7
97.02975	0.6
97.06606	0.4
98.19912	0.3
99.00905	0.2
101.02458	3.3
106.64576	0.1
107.01418	0.2
109.02958	0.2
109.06614	0.4
110.09423	0.1
111.04517	0.3
111.08212	0.3
113.02462	1.6
119.03536	0.5
123.08210	0.2
124.01665	0.2
125.02478	0.2
125.06097	0.4
125.09743	2.7
125.10603	0.2
126.10046	0.2
127.11324	0.7
129.01981	0.1
131.03546	0.1
133.02988	0.3
134.03651	0.2
135.04544	0.6
135.08170	0.9
137.02470	0.4
143.03546	0.3
145.05090	0.3
147.11836	0.5
151.00410	0.3
153.09189	0.2
155.03502	0.2
161.04614	1.1
163.11314	3.8
163.12672	0.2
164.11707	0.2
165.12857	2.7
166.13229	0.2
171.10295	2.0
173.04604	1.2
173.09663	0.3
177.01866	0.2
178.02760	0.4
178.99879	0.4
179.03528	0.1
179.05606	0.5
181.12440	0.6
182.13121	0.4
191.05702	1.4
191.10793	2.8
192.11090	0.2
195.10295	0.2
197.11905	0.4
197.15334	0.3
207.10326	0.4
209.11842	100.0
210.12178	8.6
211.13441	0.4
223.13402	0.8
226.12099	0.8
227.03589	0.2
227.12892	10.7
228.13130	0.6
235.08206	2.9
236.08530	0.2
241.14476	1.1
243.16074	0.7
253.09282	11.6
254.09680	0.7
271.02435	0.4
273.17059	84.3
274.17404	7.6
299.01999	0.6
300.02548	0.5
445.21002	1.2
446.08597	0.5
446.21030	0.3
463.21902	0.2
465.28577	1.9
466.28891	0.4
477.60587	0.2
483.29468	0.4
509.26154	1.5
510.25903	0.3
610.22839	0.1
719.37585	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	719.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01386	5.4
61.98837	7.9
67.01918	0.5
69.03460	4.2
69.86671	0.4
70.06310	0.4
71.01387	4.9
71.05043	2.4
73.02956	0.9
80.02689	1.1
81.03477	1.2
82.52113	0.4
83.01400	1.2
83.05050	4.7
84.02195	1.0
85.02961	1.6
87.00877	0.8
89.02461	3.1
95.01398	0.5
95.05025	0.7
97.02946	0.7
97.06596	1.0
99.00887	0.8
101.02463	3.9
103.68239	0.4
109.06617	0.6
113.02460	2.3
114.02849	0.4
119.03506	0.6
123.08208	1.4
125.06120	0.6
125.09742	2.4
135.08191	0.7
149.09694	0.6
151.11316	2.8
153.12865	1.1
161.04585	1.4
161.09718	3.6
163.11269	3.4
165.12860	2.1
173.04562	0.5
179.10814	8.3
180.11232	0.5
181.12340	0.6
191.05687	1.1
191.10831	0.9
195.50952	0.4
197.11853	88.6
198.12199	5.8
209.11853	54.2
210.12157	4.3
223.09744	1.3
224.30255	0.4
225.11365	0.4
227.12866	3.3
237.15027	0.6
241.10825	4.5
242.11250	0.7
243.23454	0.5
253.09331	3.6
258.67294	0.5
296.10739	0.5
477.19888	2.7
669.30939	0.5
687.32568	100.0
688.20764	0.6
688.32947	22.4
719.35242	31.8
720.35602	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	719.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28844	1.1
57.03446	1.7
59.01387	7.9
61.98835	33.8
62.28529	1.0
63.02412	1.1
65.23695	0.9
69.03472	1.0
71.01377	8.9
71.69977	1.3
73.18661	1.1
78.95892	1.7
81.03460	2.1
83.01410	3.1
83.05034	7.0
84.02169	1.6
85.02959	3.4
87.00888	3.3
88.98816	1.0
89.02467	6.3
93.03482	4.8
97.02969	1.2
99.00922	1.1
101.02465	7.2
109.02985	1.5
111.04554	1.1
113.02454	4.3
116.92860	1.6
125.02475	1.9
129.79221	1.0
133.02873	1.3
135.04530	2.3
137.02432	1.7
143.03560	1.5
151.00369	0.9
151.11246	1.1
153.12825	1.1
155.03485	1.1
161.02486	1.6
161.04576	3.6
161.14651	1.1
163.04057	1.3
163.11349	6.7
165.12859	3.0
169.12369	38.5
170.12721	1.9
171.10281	3.3
173.04546	4.7
178.99887	1.6
179.03487	2.0
185.11861	1.8
191.05669	9.8
191.10791	2.3
197.11858	48.9
198.12148	2.5
209.11852	100.0
210.12225	7.3
213.11372	2.5
215.56938	1.0
227.12901	8.2
235.08289	1.2
239.06810	1.0
253.09334	7.3
272.99390	0.9
273.17148	11.2
359.44360	1.1
437.03430	1.1
575.27307	1.5
687.32568	42.2
688.32788	8.0
719.35217	77.4
720.35474	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	719.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57126	0.4
53.50266	0.5
56.84507	0.5
57.03458	0.5
59.01384	5.3
59.87424	0.5
71.01389	5.4
71.69448	0.5
78.95917	1.8
84.81648	0.5
85.02975	1.4
87.00890	1.8
88.98826	3.3
89.02457	7.8
94.89011	0.6
96.96969	0.8
101.02451	3.5
113.02493	2.4
119.03488	2.9
125.02485	1.1
143.03508	0.7
157.35583	0.6
159.04633	1.0
161.04504	1.1
164.91859	0.8
173.04601	2.0
179.03476	0.9
179.05640	3.3
181.69379	0.5
182.62939	0.5
191.05617	4.5
197.02203	0.5
198.93817	0.5
215.03285	4.0
216.03653	0.7
240.97496	1.0
266.05939	0.7
281.08362	0.5
283.09744	0.7
299.02228	0.7
302.90799	0.7
304.84473	0.5
309.07773	0.5
327.08609	0.9
335.02057	0.9
341.10916	19.8
342.11301	1.6
353.06580	1.1
364.91037	0.6
376.84317	0.8
377.08582	100.0
378.08936	8.9
391.04178	0.8
484.01447	0.7
519.57111	0.6
527.11823	0.7
609.15009	0.8
642.42834	0.6
700.43390	0.5
719.17743	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03452	2.7
58.00602	0.8
58.16827	0.3
59.01382	52.5
60.01717	0.7
61.95603	0.4
61.98834	9.3
67.01901	0.3
68.99812	0.4
69.03477	1.2
70.52243	0.4
71.01389	29.4
71.71603	0.5
72.99319	1.7
73.02951	8.5
73.03337	0.6
75.00903	0.5
78.81987	0.4
81.03490	0.7
83.01396	8.4
83.05053	0.4
85.02962	13.8
86.03310	0.4
87.00880	3.0
88.98815	0.7
89.02454	12.1
89.97066	0.4
93.03478	1.0
95.01398	3.9
97.02959	1.4
99.00906	3.0
99.04538	0.7
101.02457	23.5
102.02804	0.6
108.02202	0.8
109.02974	1.2
111.00965	0.4
112.01704	0.6
113.02465	28.7
114.02814	0.8
119.03523	4.7
121.02999	0.4
124.01704	0.4
125.02473	6.5
127.04022	0.5
131.03558	1.0
134.02515	0.6
135.04549	1.7
137.02487	1.2
143.03526	3.7
149.04575	0.7
152.01126	0.5
153.01944	0.4
155.03557	0.9
159.03021	1.3
161.02440	1.4
161.04579	16.4
162.04965	0.6
163.04115	0.5
165.01926	0.6
173.04491	1.0
175.03984	0.5
179.03468	0.6
179.03946	0.5
179.05647	5.8
191.05627	2.5
203.05630	4.4
209.15346	0.7
221.06656	1.4
225.05310	0.4
285.04324	0.5
301.03528	0.4
323.09900	0.7
371.20932	0.9
383.11755	0.6
413.21820	0.6
515.24811	2.5
533.25983	11.2
534.25946	1.7
575.27148	100.0
576.27417	17.7
659.29565	2.9
660.29657	1.4
719.26831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98536	0.2
78.87886	0.1
78.95920	0.2
82.79897	0.1
93.03494	0.2
95.47974	0.2
117.43377	0.1
147.04536	0.1
173.04646	0.2
177.01974	0.1
178.48772	0.1
191.05696	0.3
209.11879	0.4
211.13399	0.4
276.08841	0.1
382.05734	0.1
424.36658	0.1
674.32196	0.2
718.40173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36740	0.5
57.94678	0.5
59.01384	5.7
60.99300	0.7
69.91292	1.3
69.91724	1.8
71.01379	3.6
72.99326	1.0
78.95926	1.2
83.14166	0.5
87.00891	3.3
88.98833	4.2
89.02462	7.0
96.96996	1.0
97.93171	0.5
98.20617	0.8
101.02460	2.2
108.90228	1.4
109.12202	0.5
110.89902	0.6
113.02460	2.2
114.47054	0.5
119.03534	3.1
131.03568	0.7
143.03569	1.1
161.04561	1.1
164.91762	2.4
165.04218	0.9
179.05643	3.1
191.05597	0.5
198.89795	1.3
215.03308	4.6
228.97586	1.3
240.97554	3.0
302.90744	2.5
309.13861	0.5
341.10904	21.3
342.11282	1.6
358.89600	0.5
376.84195	0.8
376.90897	1.3
377.08591	100.0
378.08917	10.0
378.13409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
58.02971	1.6
58.03262	0.6
59.01381	4.0
60.92395	0.6
60.99328	0.8
67.01889	3.7
69.03452	1.3
71.01387	5.0
71.69845	0.6
72.38745	0.7
72.99321	1.1
81.03461	1.3
83.05032	1.2
85.02959	7.4
87.00888	4.3
93.03470	28.3
94.03812	0.9
95.01398	1.2
97.06600	1.3
108.02183	1.4
109.02961	2.5
111.04549	7.2
121.02953	0.8
122.06072	0.6
123.04487	0.8
125.02454	1.5
127.04044	2.2
129.01978	0.8
133.02940	1.8
134.03708	2.0
135.04529	1.0
136.01640	1.3
137.02477	3.7
146.03732	2.1
147.04529	5.5
148.05222	0.7
149.06102	0.9
150.03311	0.6
151.00365	0.8
151.04008	2.2
152.01131	0.9
155.03543	4.6
159.04472	1.3
161.02376	1.4
161.06062	0.8
164.07196	10.3
173.04578	69.5
174.03418	1.2
174.04921	3.8
175.07663	13.6
176.04808	6.6
176.08058	0.9
177.01877	1.6
177.09209	10.6
178.09712	0.8
187.07669	9.0
189.05595	0.8
190.06384	2.2
191.05632	100.0
192.05977	4.4
201.09201	2.9
202.06396	5.4
203.07097	1.3
205.08730	11.3
206.08220	15.8
207.08554	2.3
215.07123	1.1
219.10306	9.6
221.11888	0.8
231.10286	12.7
232.10541	1.2
233.06456	1.0
249.11328	26.1
250.11739	2.3
257.08243	1.9
261.06104	3.8
263.09299	1.4
266.05811	2.0
267.06467	1.2
275.09259	2.1
293.04749	1.0
293.10300	12.1
294.05359	2.1
308.06912	0.7
309.08078	1.0
327.08633	1.8
338.04337	1.5
353.06635	13.9
437.14691	4.2
438.15237	0.8
449.14783	1.6
467.15628	98.8
468.15930	13.7
501.14218	1.4
527.12079	11.0
718.18024	1.3
719.19788	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	717.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97481	0.3
57.03467	0.4
59.01382	2.9
61.98833	10.3
62.55156	0.3
65.82489	0.3
69.03444	0.9
69.87580	0.9
69.87987	1.4
71.01380	3.2
73.02952	0.8
78.05542	0.3
81.03442	0.9
83.01396	0.5
83.05038	2.8
84.02141	0.4
84.45389	0.3
85.02959	0.9
87.00887	0.6
89.02462	1.7
93.03494	0.5
101.02453	3.0
105.76678	0.4
109.02923	0.6
109.06596	0.5
113.02464	1.3
119.03532	0.5
125.02482	0.4
135.04524	1.3
143.03447	0.4
152.01236	0.6
161.04594	1.0
161.05901	0.4
163.11256	2.4
165.12862	1.6
167.14473	0.7
171.10324	0.9
173.04565	1.5
178.99916	0.4
179.03525	1.0
179.05499	0.4
179.10892	0.5
181.12378	0.5
183.13936	6.6
184.14232	0.7
191.05606	2.4
191.07104	0.4
191.10764	0.7
193.12436	1.8
207.10269	1.4
209.11850	76.0
210.12180	5.5
211.13412	100.0
212.13774	7.1
212.44385	0.3
227.12904	12.7
228.13248	0.8
235.08247	3.8
239.12793	0.5
253.09276	7.5
271.15512	6.8
272.15970	0.6
273.17062	0.5
312.12512	0.4
337.72638	0.3
403.25186	0.5
429.21356	0.8
445.20541	1.8
447.22327	8.1
448.22791	1.3
463.21936	0.5
494.79117	0.4
621.32941	1.1
631.24365	0.5
639.34082	1.0
640.33533	0.5
649.40442	0.4
657.34912	0.4
673.89746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14352	0.5
57.03443	0.6
59.01378	7.9
61.98834	100.0
63.22312	0.6
69.03453	1.7
71.01380	5.5
72.99323	0.9
73.02960	1.5
80.02245	0.5
80.02695	1.5
81.03471	2.9
83.01400	3.6
83.05049	4.5
84.02187	1.8
85.02969	2.0
87.00897	1.3
89.02478	3.4
93.03516	1.5
95.01464	0.7
95.05048	1.4
97.02968	6.2
97.06599	1.0
98.19814	0.9
99.00903	1.3
101.02462	5.2
108.38457	0.5
109.06614	18.9
110.03773	1.3
110.06966	0.7
111.00903	0.6
113.02476	2.2
118.25170	0.6
119.03509	0.7
121.06602	1.8
123.04492	0.6
123.08198	1.0
125.02407	0.7
125.09745	3.5
127.11314	1.0
129.01967	0.6
135.08195	3.0
136.05325	1.4
142.02766	1.5
161.04602	1.6
161.09717	1.5
163.11310	17.9
164.11650	1.6
165.12885	2.4
171.10286	2.2
172.44737	0.6
173.04579	1.0
179.10786	2.0
179.80711	0.7
181.12331	2.9
182.13243	0.7
189.09218	1.6
191.05635	2.2
191.10811	2.4
207.10280	73.0
208.10590	5.1
209.11847	86.4
210.12166	7.9
211.13472	5.3
221.11842	1.3
223.13345	0.6
225.11320	21.9
226.11829	2.1
227.12903	8.8
228.13158	0.9
235.08249	4.4
239.12901	32.9
240.13260	1.8
241.10661	0.7
241.14500	1.2
252.20573	0.7
253.09309	16.1
254.09814	0.8
271.15491	11.4
273.17081	72.5
274.17413	5.4
437.29199	1.2
443.19269	2.6
445.20749	1.9
461.20395	5.4
462.20383	0.6
463.26874	1.3
509.26221	1.4
699.36737	0.8
700.36865	0.8
717.37311	22.2
718.37286	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	716.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52009	0.1
59.01385	0.4
61.98835	100.0
62.98547	0.1
71.01389	0.2
71.18151	0.2
78.95924	0.2
87.00938	0.1
89.02470	0.1
93.03492	0.4
101.02601	0.1
111.04538	0.1
113.46604	0.1
120.42119	0.1
133.03134	0.1
135.04587	0.3
137.02594	0.1
173.04558	0.7
175.71861	0.1
191.05666	1.0
192.05933	0.2
223.77721	0.1
235.26797	0.1
235.77544	0.1
236.15216	0.1
255.23434	0.4
256.23703	0.3
257.23959	0.2
270.15927	0.1
275.87009	0.1
302.50992	0.1
315.63208	0.1
363.63095	0.1
398.14041	0.3
399.14148	0.3
441.67465	0.2
489.19110	0.2
653.26337	0.3
707.30109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03453	5.4
58.00594	1.0
59.01382	63.8
60.01707	0.8
61.98832	2.7
67.01891	0.3
69.03461	2.2
69.42930	2.9
71.01389	51.7
72.01737	0.7
72.99299	1.7
73.02959	7.6
75.00928	0.4
78.95922	0.3
81.03447	2.0
83.01403	6.5
85.02964	29.0
86.03310	0.9
87.00888	3.0
88.96940	0.3
89.02460	19.4
93.03470	0.8
95.01402	11.2
95.01997	0.7
97.02963	2.1
98.20603	0.5
99.00902	1.9
99.04517	2.0
101.02460	16.5
111.00877	0.4
111.04566	0.6
112.01714	0.3
112.40301	0.3
113.02470	100.0
114.02811	2.9
115.26585	0.3
119.03521	6.8
123.04533	0.9
125.02473	14.8
127.04037	0.5
131.03545	2.8
135.04538	0.9
137.02505	0.8
137.09717	1.5
139.00380	0.7
143.03525	12.3
149.04576	3.6
155.03529	6.6
156.03915	0.6
160.52536	0.3
161.04584	81.8
162.04927	2.3
167.03494	0.9
173.04643	1.5
179.05641	16.2
180.05963	0.5
185.04659	0.4
191.05690	1.6
203.05632	30.3
204.05991	1.6
221.06680	7.9
222.06918	0.4
229.60106	0.3
233.06647	1.3
245.06615	1.6
263.07733	3.9
305.08731	1.4
323.09863	4.9
383.11975	12.5
384.12106	1.3
407.04025	0.5
467.13947	1.0
573.25830	3.0
574.25592	0.9
657.27771	2.0
658.28204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18911	0.4
59.01371	0.8
71.01389	2.8
71.28573	0.9
81.03471	2.5
83.05031	6.1
85.02962	1.1
87.00892	4.6
88.98807	0.6
93.03471	13.4
93.87174	0.5
94.03815	0.7
95.01369	0.4
99.00862	0.9
102.98597	0.6
108.02193	3.5
109.02976	8.4
110.03297	0.4
111.00918	0.4
111.04538	21.0
112.04838	0.7
112.31832	0.3
113.00590	0.7
115.00385	2.6
118.98062	0.4
119.05047	2.8
120.05423	0.5
121.02967	1.8
123.04533	2.0
127.04032	1.3
133.02968	1.1
134.03705	1.2
135.04544	35.7
136.04886	1.9
137.02467	3.9
137.04123	0.6
147.04543	1.0
148.05299	1.3
149.06123	2.2
151.04010	0.4
153.03685	0.4
155.03526	20.8
156.03850	1.4
161.02478	0.9
161.04466	0.4
161.06023	2.3
163.03986	3.0
163.07651	0.5
164.04440	0.5
173.04578	6.1
177.01929	0.4
177.05528	0.4
179.03481	4.8
180.03838	0.5
181.03172	0.9
183.04608	0.4
191.05630	5.4
193.05042	0.6
198.04543	1.0
199.04204	13.5
200.04645	0.7
205.03134	0.5
213.05507	0.6
217.05151	0.7
225.05611	0.5
241.05005	1.3
242.05853	9.6
243.06589	5.4
244.07022	0.5
269.04636	8.4
271.02307	0.5
271.09741	8.3
272.10056	0.8
297.04291	1.1
297.09583	1.1
298.04996	0.6
299.01913	0.9
300.39862	0.4
301.03564	0.5
309.07913	1.9
311.05829	1.1
337.07385	2.0
341.08820	4.9
342.09329	0.7
353.08731	1.4
354.08887	1.9
355.08453	27.9
356.08707	3.4
361.07330	1.7
367.09842	0.4
373.09399	2.4
374.10107	0.4
377.06451	9.1
378.06784	0.5
391.10431	0.8
425.10437	1.0
443.11960	0.4
497.12878	0.9
535.12531	0.6
541.11646	0.7
541.75012	0.4
607.94812	0.5
625.14276	0.9
715.17114	100.0
716.17395	23.0
716.30389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00241	0.6
59.01087	1.1
59.01383	22.2
63.86925	0.5
69.53983	5.6
72.99298	1.0
75.98165	0.5
83.01414	0.9
107.01421	1.0
108.02205	0.7
109.02962	0.7
115.08642	0.6
115.57171	0.6
117.04647	0.6
119.05063	2.5
121.02951	0.7
147.04549	55.0
148.04910	3.8
151.00401	7.4
163.00352	1.7
165.05598	47.4
166.05910	2.2
169.24786	0.6
173.04546	0.6
178.99860	3.3
191.05557	0.9
202.20824	0.5
206.08273	1.5
207.06648	36.2
208.06918	2.5
226.02737	0.9
227.03342	1.1
243.02972	4.9
254.02257	1.2
255.00458	1.1
255.03000	14.7
256.03366	2.2
271.02475	31.9
272.02927	4.5
273.03778	0.8
300.02771	66.6
301.03458	32.4
302.03903	2.9
463.08835	100.0
464.02786	1.2
464.09192	16.7
689.76355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.52884	0.3
57.03436	0.7
58.00590	1.4
59.01384	26.4
61.98824	1.3
67.01906	0.3
68.99803	0.5
69.03481	1.8
70.77501	0.5
70.77845	0.7
71.01391	25.0
72.99322	2.0
73.02956	4.4
75.00883	0.7
78.95897	0.8
81.03454	1.2
82.85278	0.3
83.01395	3.5
85.02961	5.3
87.00894	5.1
89.02460	21.8
91.04014	0.4
93.03480	1.4
95.01392	1.9
96.96027	1.2
97.02968	4.1
99.00884	1.7
101.02461	20.1
109.02948	0.6
109.53212	0.3
111.00912	0.5
111.04548	1.0
113.02475	9.9
114.02946	0.4
115.67968	0.3
116.92888	0.5
119.03520	6.2
119.32471	0.3
121.02976	0.4
124.01712	0.5
125.02469	9.1
127.03969	0.6
128.41467	0.3
131.03516	1.0
133.05103	0.9
139.04045	0.7
141.01933	0.4
143.03558	3.3
149.04564	0.5
161.04591	4.5
163.49219	0.4
173.04591	1.5
179.05647	4.1
185.04526	0.5
191.05640	2.8
199.06157	0.6
211.13391	0.3
211.36978	0.3
213.97850	0.3
217.07193	0.7
221.06662	1.4
228.16002	0.4
235.08263	10.8
253.09308	2.2
255.23302	70.3
256.23627	5.9
263.07669	0.7
265.14798	1.9
277.09363	0.5
277.21744	0.6
287.07742	3.0
305.08731	3.8
323.09961	1.2
379.12350	0.9
397.13544	100.0
398.13834	8.2
410.30130	0.3
415.14600	29.7
416.14996	2.6
653.37732	5.6
654.38281	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	713.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.5
58.69841	0.9
59.01382	27.3
61.98825	3.4
62.90513	1.0
65.86232	0.9
68.99830	1.1
69.03483	1.2
71.01391	22.0
71.71465	0.8
72.99303	2.3
73.02958	4.4
78.95902	2.4
81.03472	1.0
83.01392	3.1
85.02949	4.8
87.00884	5.3
89.02457	19.5
93.03465	2.1
95.01385	2.6
97.02961	5.0
99.00877	1.9
101.02457	19.6
106.65404	0.9
111.04498	1.0
113.02473	9.6
119.03534	5.6
121.03025	1.0
125.02489	8.1
131.03444	1.0
133.05124	1.2
137.02460	1.0
143.03523	1.9
161.04527	4.6
172.88559	0.9
173.04599	4.4
179.05600	4.4
184.32309	1.0
190.25958	0.9
191.05678	6.1
198.18414	0.8
221.06749	1.1
235.08250	9.6
236.88194	0.9
253.09280	1.8
255.23288	61.6
256.23761	6.5
263.07773	1.5
273.85352	1.0
281.19070	1.0
287.07797	2.9
305.08804	3.3
323.09705	1.4
397.13538	100.0
398.13904	8.9
415.14609	28.5
415.20285	1.3
416.14923	2.6
653.37433	5.3
686.81824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99477	0.3
59.01370	0.6
61.98837	3.5
70.33362	0.2
71.01408	0.4
78.95904	0.6
85.02971	0.4
89.03992	0.8
93.03468	1.1
107.05080	0.3
108.02216	0.5
109.02986	1.0
113.02504	0.4
117.03487	3.5
119.05064	0.7
121.02968	0.9
123.00891	0.5
123.04537	0.6
124.01678	0.7
125.02448	0.6
132.02214	0.7
133.02986	4.5
134.03767	50.3
135.04572	19.2
136.04900	0.7
137.02478	4.1
139.04048	1.3
145.02995	0.8
147.04579	0.8
148.05284	0.3
149.02548	0.3
149.06100	6.4
149.07230	0.5
150.03241	1.1
151.00395	0.9
151.04016	0.7
152.01190	2.0
153.01912	0.9
153.05534	0.3
155.03520	0.5
159.04570	0.7
159.71658	0.3
160.01686	4.0
161.02480	7.8
162.03076	0.6
163.04041	1.2
165.01956	0.3
165.05608	0.5
167.03532	2.2
170.02159	0.3
171.04463	0.3
171.10277	0.5
173.04604	1.2
175.04044	3.6
175.07562	0.3
176.04665	0.7
177.01927	0.9
177.05551	0.8
178.02740	6.2
179.03526	18.8
180.03868	1.2
181.04977	0.4
187.03995	0.6
188.04857	1.2
189.05602	0.7
191.04022	0.4
191.05656	2.1
191.07161	0.7
192.04298	1.4
193.05078	29.8
194.05421	2.3
201.40552	0.3
203.07213	1.0
205.05070	0.7
206.05768	1.8
207.06638	0.8
209.11841	0.8
214.73897	0.4
219.06659	0.4
221.08174	1.3
255.95537	0.4
311.09271	0.4
312.09921	0.6
341.10254	0.6
342.11020	1.7
343.11853	0.4
345.13486	0.4
357.13522	1.5
366.00687	0.4
399.10724	0.4
438.61743	0.4
536.16699	1.1
551.19189	100.0
552.19537	19.2
594.31830	0.3
594.40454	0.3
688.80103	0.3
713.24658	9.1
714.24792	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	713.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.6
59.01381	7.6
61.98832	10.5
71.01369	7.9
73.02970	1.4
85.02979	4.2
87.00921	2.2
88.98839	3.8
89.02471	2.6
93.03474	37.3
94.03842	2.0
96.96028	1.5
97.03018	1.2
99.00891	3.4
101.02486	2.3
107.05096	1.2
108.02230	3.4
109.03020	1.7
113.02493	4.9
116.92924	1.8
117.03510	3.3
119.03547	1.8
119.05084	1.3
121.03002	6.8
122.03783	18.2
123.04591	5.1
125.02507	2.4
132.02208	18.1
133.03001	9.7
134.03773	47.6
135.04584	16.8
135.76682	1.3
136.01730	5.3
137.02470	48.3
139.04076	1.2
145.02975	3.0
146.03812	1.9
147.03516	1.5
147.04524	6.9
148.05363	3.3
149.02473	24.8
149.03575	2.1
149.06085	11.2
150.03253	100.0
151.00572	1.4
151.04047	11.4
158.03824	1.7
160.01688	74.9
161.02454	10.3
161.04630	2.7
161.06154	1.7
162.03288	1.8
163.04112	3.7
164.04851	5.3
165.05595	72.5
166.06050	5.0
173.04594	4.1
173.06131	3.1
174.03253	1.3
175.04028	84.8
176.04797	19.1
177.02008	3.9
177.05597	3.4
178.02762	8.6
179.03545	12.1
179.07230	3.1
180.04318	7.2
181.05020	7.2
191.03842	2.0
191.05647	14.0
191.07242	25.1
192.04364	2.9
192.05963	1.8
192.07553	1.4
193.05084	50.9
194.05560	4.0
195.06638	21.8
196.06940	1.7
205.05145	1.5
207.06636	9.0
217.05229	2.2
220.03810	2.6
235.06125	65.4
236.06430	5.4
265.07181	13.1
270.07828	1.9
274.04486	1.2
284.03165	1.6
285.04129	3.8
295.08246	23.2
295.11295	1.4
307.08331	1.2
323.08047	2.0
327.12460	2.0
337.09225	6.4
355.10336	9.4
498.82486	1.3
537.19666	1.8
551.19403	3.1
552.20215	1.7
569.26013	1.8
571.18372	9.3
575.16705	5.4
576.16931	1.3
616.87146	1.3
623.14453	1.8
651.26910	5.5
665.22559	29.0
666.22919	6.3
677.22827	7.3
678.25049	1.4
695.23657	25.3
696.24365	6.1
713.25104	52.4
714.25305	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	711.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03445	1.5
59.01381	10.4
65.00307	0.4
69.03468	1.1
70.46491	1.5
71.01386	8.1
71.01764	0.7
72.99319	0.3
73.02956	2.8
81.03473	2.0
83.01401	11.0
85.02964	6.6
87.00906	0.4
89.02434	0.8
93.03487	1.7
95.01407	3.4
97.02975	0.4
99.00894	1.3
101.02450	4.7
107.01435	0.6
107.05054	0.6
108.02193	80.0
109.02987	41.9
109.03540	0.5
110.03317	1.4
113.02474	3.8
121.02970	2.0
123.00908	2.7
123.04531	1.7
125.02467	5.1
131.64244	0.4
133.02983	1.0
134.03798	0.6
135.00914	1.3
135.04546	1.4
137.02498	0.5
151.04063	2.2
152.01181	80.3
153.01970	36.9
153.02888	0.3
153.03314	0.7
154.02321	1.5
161.02501	0.5
161.04588	1.8
162.60727	0.3
163.04033	2.3
165.01971	1.8
172.05301	0.5
173.06154	0.6
177.01927	0.6
177.27467	0.3
179.03442	0.5
191.05453	0.7
191.07210	0.4
195.03000	0.4
207.20396	0.3
216.04224	1.1
217.05055	3.1
225.04048	0.5
269.10306	0.6
271.02435	0.4
297.06171	0.8
300.02783	0.8
315.07233	32.9
316.07547	3.6
325.82095	0.3
329.00119	0.3
357.08310	12.5
358.08676	0.8
379.10342	0.4
394.49567	0.3
397.11475	2.7
399.09366	3.1
405.12500	0.4
423.09402	2.3
447.09146	1.6
688.89063	0.4
693.21338	0.7
711.21631	100.0
712.21960	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	711.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
68.99821	0.6
71.69772	1.0
73.02957	1.5
78.95911	1.8
81.03505	0.7
83.05026	1.5
83.49579	0.5
85.02995	0.8
87.00887	2.9
88.42330	0.6
93.03477	14.4
99.04527	0.8
104.23422	0.5
109.02966	1.1
111.04543	4.1
112.74487	0.6
134.03748	1.5
134.89499	0.5
136.87413	0.5
137.02477	6.0
138.50780	0.5
143.33203	0.5
146.03764	1.2
152.99648	1.0
153.01985	1.1
155.03528	4.0
158.03777	0.7
159.04549	5.5
161.02483	5.4
169.16020	1.5
172.05305	2.2
173.02390	0.7
173.04619	9.5
173.06021	1.1
174.03255	2.1
185.06082	1.8
186.03227	0.7
186.06709	0.7
187.04033	2.5
188.04817	0.7
189.01990	8.2
191.05676	2.3
197.11835	0.9
197.15514	5.6
198.15733	0.6
199.03973	2.9
200.04823	1.6
201.05600	1.9
202.06007	0.6
203.03596	0.7
203.07195	1.5
213.05609	4.9
214.06036	0.9
225.05603	0.8
227.03474	2.4
227.07031	0.9
228.04166	0.8
229.05193	0.9
241.05074	1.3
241.08612	0.8
243.05077	1.4
246.31607	0.5
255.10237	1.5
269.12033	1.6
277.21680	1.5
283.13354	1.1
295.17184	0.7
311.16605	1.4
313.18103	29.4
314.18469	3.1
315.19669	1.3
339.15979	1.0
339.19638	1.2
341.17612	46.6
342.17929	5.7
353.17642	2.9
357.17084	14.3
357.20804	1.0
358.17493	1.5
363.19702	2.3
367.18991	1.3
381.17200	2.5
382.17807	1.6
383.18704	1.6
467.31689	100.0
468.32050	18.4
468.38690	1.0
475.32159	3.0
476.32388	1.3
493.33514	2.2
495.31253	20.8
496.31741	4.4
511.34271	1.0
513.21277	22.9
513.29041	1.2
514.21881	4.2
519.31152	1.7
537.32190	2.5
538.32874	0.7
693.36682	1.4
711.38312	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	711.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71228	0.3
55.01877	0.5
57.03454	2.0
59.01381	10.2
63.62890	0.3
65.00327	0.6
69.03456	1.0
69.38739	0.3
71.01385	7.4
73.02953	3.0
81.03462	2.2
83.01398	10.7
85.02965	5.8
87.00900	0.4
89.02464	0.5
90.01546	0.3
93.03482	0.9
95.01392	2.5
99.00890	1.6
99.04498	0.4
101.02458	5.2
107.01405	0.7
108.02192	76.9
109.02982	39.4
110.03263	0.9
111.87545	0.4
113.02451	3.3
121.02964	1.7
123.00894	1.6
123.04548	1.6
125.02467	5.0
133.02974	1.3
135.00909	0.8
135.04533	1.4
140.84291	0.3
151.03979	2.1
152.01178	79.7
153.01967	33.9
154.02267	1.8
161.02536	0.9
161.04582	1.4
163.04025	2.4
165.01962	2.4
172.05370	0.5
173.06071	1.0
179.03427	0.5
191.05640	0.7
191.07227	0.8
195.02979	0.5
216.04283	1.3
217.05061	2.9
229.46626	0.5
269.10391	0.4
297.06259	1.0
300.02707	0.5
315.07230	31.6
316.07443	2.7
344.33325	0.4
357.08267	11.1
358.08670	0.9
388.98355	0.4
397.11374	2.2
399.09424	2.9
423.09390	2.4
449.50293	0.4
456.28616	0.4
693.20209	1.1
711.21594	100.0
712.21948	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63617	0.3
55.01860	0.4
57.03446	0.9
58.00608	0.7
59.01381	5.4
61.98830	2.5
67.54443	0.3
69.03453	0.4
70.61922	1.2
71.01385	4.1
73.02960	1.1
78.95911	16.3
80.02684	0.6
83.01392	0.6
83.05034	1.9
84.02129	0.3
85.02949	1.7
87.00890	0.5
89.02463	3.0
95.05058	0.9
96.96971	1.5
97.06614	2.6
101.02441	3.2
113.02464	1.6
117.94124	0.3
119.03543	1.2
119.42346	0.3
125.09763	1.1
127.11335	1.6
129.13692	0.3
143.03500	0.3
151.11317	9.5
152.11671	0.8
152.99609	23.3
155.10808	0.5
161.04594	1.1
163.11313	1.1
165.09204	1.0
165.12883	0.7
169.12366	71.0
170.12692	4.3
171.00691	2.7
171.10310	1.0
179.05574	0.5
191.05605	0.4
195.10243	1.7
199.09772	0.8
201.11351	23.0
202.11674	1.4
209.11848	23.9
210.12199	1.5
213.11349	9.1
214.11728	0.5
227.03241	1.9
227.12891	1.9
235.08258	0.9
245.04359	0.7
245.14032	0.6
253.09291	2.1
253.21753	3.9
254.22127	0.4
255.23326	1.1
277.21729	16.1
278.22055	2.0
337.10532	0.5
363.12167	0.8
381.13193	1.3
411.14301	0.4
429.15283	0.7
431.19232	1.9
437.15732	0.8
449.20297	4.6
450.20648	0.8
455.16980	4.5
458.39182	0.3
473.17926	19.2
474.18353	1.6
581.41345	0.4
691.38458	3.9
692.38580	0.9
704.83655	0.3
709.41150	100.0
710.41492	25.5
710.59796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60107	0.3
57.03452	65.7
58.03787	1.3
59.01378	2.0
61.98830	2.5
62.44164	0.3
67.01903	0.4
70.61946	1.1
71.01391	1.6
78.95952	0.6
81.03474	1.0
83.01408	1.0
85.02966	0.8
93.03485	0.9
99.00928	0.4
99.04537	28.4
100.04902	0.9
101.02458	14.1
102.02834	0.3
108.42384	0.3
109.02968	1.5
111.00938	1.4
113.02475	0.6
121.02981	0.3
123.00871	0.7
123.04568	0.6
124.01685	1.1
125.02467	11.4
126.02810	0.5
127.00397	1.0
134.03714	0.4
135.04555	0.9
136.98851	0.8
137.02472	1.4
137.99573	0.4
138.03250	0.6
139.00391	4.6
139.04031	1.5
140.01025	0.4
143.03575	0.5
146.08308	0.4
148.21671	0.3
151.00395	5.0
151.04045	1.2
152.01192	4.8
153.01958	1.4
154.02765	1.0
161.02356	0.4
163.04062	0.9
163.07651	0.4
164.04800	0.8
166.02739	19.7
167.03508	6.0
168.04140	0.5
171.10205	0.4
173.04604	0.8
173.06068	0.7
175.04063	0.6
176.04805	0.6
177.01756	0.3
178.06355	1.2
179.03531	1.2
179.07111	1.6
180.04309	2.9
181.05096	26.5
182.05415	1.3
189.01988	0.7
190.06369	2.6
191.04129	0.3
191.05612	1.6
191.07173	3.3
192.07780	0.4
193.05148	0.4
193.08736	0.8
194.05901	1.0
195.06653	3.1
205.08681	1.6
206.09503	1.4
209.08182	0.7
209.11888	1.2
215.03564	0.8
217.01407	0.6
218.05879	0.4
219.02853	0.4
219.06598	0.4
221.08203	0.9
227.12842	0.3
233.08176	1.1
243.02721	0.6
271.02487	0.4
305.08685	0.4
341.06693	1.2
345.13727	0.6
355.11905	1.5
370.14224	1.3
373.12946	6.0
374.13385	1.0
385.16266	0.9
387.14453	0.6
388.10522	0.7
388.15335	10.8
389.15656	2.3
393.05994	1.6
403.17654	100.0
404.17966	14.1
501.68121	0.3
503.09854	3.4
504.10431	0.7
547.22198	0.5
565.22821	0.8
612.17065	0.6
624.82239	0.3
649.37225	0.4
667.38702	0.3
709.18994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14038	0.3
56.68898	0.3
59.01384	1.3
61.40109	0.3
61.72852	0.3
62.99594	0.3
63.93036	0.3
67.01897	1.9
69.03471	0.6
69.94851	1.8
69.95260	0.9
71.01385	2.1
73.02968	0.4
78.95918	0.5
81.03473	1.0
83.05023	0.9
85.02959	9.3
87.00893	5.5
93.03468	13.0
94.03823	0.7
96.96996	0.4
98.20580	0.7
108.02186	1.1
109.02974	4.1
110.03306	0.4
111.00848	0.5
111.04531	3.2
115.00372	2.0
121.02970	1.1
127.04060	2.0
133.02968	0.9
134.03757	1.7
135.04544	23.2
136.04890	1.0
136.99571	0.3
137.02446	1.1
139.97398	0.4
149.06096	1.3
155.03513	2.0
159.04489	1.4
161.02457	3.2
161.06084	1.6
171.03050	0.8
173.03076	0.8
173.04576	16.0
174.03217	0.3
174.04900	0.9
175.03931	0.6
176.09587	0.4
179.03516	18.5
180.03818	0.8
187.03999	0.7
191.05627	100.0
192.05988	5.1
193.06174	0.4
219.02893	0.6
223.07428	0.4
229.01505	0.8
230.01750	0.5
231.02440	0.4
241.05067	1.5
242.05849	4.6
243.06636	4.2
251.07002	0.7
253.08696	0.4
267.06607	0.9
268.07074	0.7
269.08035	0.5
271.09750	5.4
272.10052	0.6
279.06589	0.5
289.05539	1.7
293.04486	0.4
295.06042	0.8
296.06668	0.7
297.07782	2.5
298.07806	0.4
299.01834	0.6
301.03531	0.7
315.08289	0.6
323.05429	1.0
339.05096	5.1
340.05365	4.5
341.05759	4.4
353.08807	23.5
354.09329	2.0
359.07742	3.3
364.90698	0.7
391.04138	0.5
462.08072	0.6
463.10812	1.2
489.13742	0.6
513.10406	2.3
514.10828	3.1
515.11084	8.4
516.11652	0.8
533.12970	8.0
534.13306	1.3
609.14948	1.3
657.73413	0.4
689.16345	0.5
707.18469	29.7
708.19037	6.1
724.50665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
67.01891	0.3
69.03457	0.3
70.90064	0.9
71.01393	0.6
71.02225	0.3
81.03449	0.5
83.05038	0.7
85.02966	7.0
87.00902	1.3
91.05551	0.5
91.31100	0.3
93.03470	3.8
98.58606	0.3
107.05047	1.1
109.02969	0.8
111.04537	2.0
117.03473	0.5
127.04060	2.1
133.02975	2.2
134.03806	4.6
135.04556	61.3
136.04895	2.5
137.02477	0.4
149.90948	0.3
155.03542	2.1
161.02448	4.0
162.02859	0.3
171.03018	0.4
173.04564	4.5
174.04932	0.3
179.03526	52.5
180.03853	3.5
191.05638	100.0
192.05989	4.6
353.08801	72.9
354.04724	0.5
354.09146	8.8
538.29498	0.4
707.18365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02804	0.1
58.74891	0.1
59.01390	0.3
61.98834	100.0
62.79198	0.1
62.98551	0.2
70.27766	0.2
70.28165	0.2
71.01385	0.2
78.95947	0.2
83.05050	0.1
85.02978	0.2
88.98814	0.3
89.02453	0.1
90.60973	0.1
93.03484	0.4
93.52453	0.1
98.19973	0.1
100.01823	0.1
101.02512	0.1
109.06618	0.1
111.04559	0.2
125.02470	0.2
135.04544	0.2
151.00401	0.1
156.00793	0.1
161.02419	0.1
165.05669	0.1
173.04613	0.3
174.03407	0.1
179.03479	0.1
183.13901	0.6
184.14334	0.3
191.05614	1.0
192.06018	0.1
197.11914	0.3
207.10258	0.2
209.11830	1.0
210.12302	0.3
218.77809	0.1
225.11421	0.2
227.12860	0.1
245.04140	0.1
253.09387	0.1
300.02560	0.1
339.05145	0.1
340.05426	0.2
397.24875	0.1
413.32928	0.1
481.19437	0.1
488.33475	0.1
514.11243	0.2
652.30475	0.1
674.35333	1.0
706.37646	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34655	0.9
56.10344	0.7
59.01371	1.7
60.99200	0.7
61.98833	11.7
63.02402	2.7
65.00324	6.0
70.85056	2.4
71.01391	3.5
71.65422	0.7
78.95911	3.0
82.41972	0.9
83.01392	3.6
93.03480	2.1
95.01389	1.0
106.32958	1.0
107.01408	8.3
109.02971	0.9
111.00904	2.0
111.99372	0.8
123.00930	1.1
124.01704	8.7
125.02485	7.8
135.04576	2.4
137.02458	0.8
139.00426	1.8
141.01959	1.4
141.33847	0.9
149.02625	0.9
151.00398	33.9
152.01187	42.0
152.99666	1.5
153.01755	1.7
158.84985	0.9
161.02466	7.9
162.03232	2.9
163.04027	6.6
163.11302	1.1
169.01439	5.4
171.10500	0.9
173.02524	1.1
173.04521	1.4
178.99884	39.4
180.00122	1.9
189.01967	4.2
191.03540	2.6
191.05614	5.0
192.00690	2.1
193.01439	1.0
197.11810	3.1
207.10362	1.3
209.11855	2.0
211.13474	4.2
212.13763	0.9
217.01530	1.2
225.11290	1.1
267.02875	0.8
269.04480	1.1
271.02484	2.8
285.04111	1.9
289.18146	1.1
295.02332	1.9
296.03271	3.6
297.03986	7.8
297.15106	1.1
299.02042	3.9
299.16464	1.0
300.02655	6.2
313.03726	1.4
314.04401	5.0
315.05078	1.8
315.16406	0.9
317.17606	5.4
324.02740	1.2
325.03415	2.3
343.04648	3.5
343.15546	9.0
344.15689	1.0
348.61264	0.9
376.90189	1.0
451.17520	2.5
461.16147	1.6
466.96927	1.0
469.18747	9.8
470.18954	1.7
489.10419	14.5
490.10754	1.6
615.24634	100.0
616.24933	21.6
625.22882	4.0
625.32501	0.8
643.13892	1.9
643.24072	27.2
644.24329	9.4
646.22821	1.1
707.38019	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	705.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
59.01377	2.0
61.98818	0.2
62.99738	0.1
71.01389	1.6
71.05023	0.2
71.53311	0.2
73.02954	0.4
78.88415	0.1
80.02682	0.8
81.03025	0.2
81.03453	0.9
83.01395	0.3
83.05035	3.9
84.02165	0.7
85.02971	0.5
86.69207	0.1
87.00880	0.5
87.46954	0.1
89.02445	1.2
93.03452	0.3
95.05042	0.6
97.06573	0.1
101.02462	1.6
109.06595	0.5
113.02444	0.8
119.03519	0.4
125.06127	0.4
125.09711	0.3
135.08188	0.5
145.05122	0.2
147.11821	0.2
161.04597	0.9
163.11314	3.4
165.12878	1.9
166.13208	0.3
171.10295	1.0
179.05586	0.2
181.12363	0.4
187.87630	0.1
191.05573	0.2
191.10808	0.8
199.13434	0.2
209.11844	100.0
210.12169	7.8
215.12958	0.2
227.12892	14.4
228.13202	1.0
235.08215	1.6
247.13326	0.4
253.09283	5.7
265.14426	0.2
310.69318	0.2
419.24878	0.2
445.20883	1.7
446.21161	0.2
532.92542	0.2
570.08173	0.2
637.32385	0.5
655.33777	0.2
673.34344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89460	0.4
55.01880	1.0
57.03460	1.9
58.00603	0.5
59.01132	0.5
59.01388	6.0
61.98843	2.3
67.59182	0.4
69.03461	1.2
70.87576	1.0
71.01387	6.4
71.05027	2.8
72.99325	0.7
73.02946	1.6
81.03470	0.6
83.01364	0.6
83.05038	1.6
84.02130	0.4
85.02959	3.0
87.00887	1.6
89.02455	3.6
93.03476	3.2
95.01394	0.4
95.05016	0.8
96.96045	0.4
97.02979	3.1
97.06593	2.7
99.00905	18.5
99.04519	0.7
100.01205	0.5
101.02475	4.3
109.02953	1.5
109.06612	1.1
111.04557	1.3
113.02491	2.3
115.04110	0.4
119.03486	0.9
121.03016	0.4
123.04503	0.5
123.08153	1.0
125.02436	0.9
125.09756	7.5
127.04017	0.5
133.02943	1.0
135.04526	1.5
135.08174	0.6
136.05325	0.5
137.02463	1.4
142.02751	1.0
145.02974	0.4
145.05043	0.6
151.11241	0.8
153.12901	1.2
155.14478	0.7
161.02460	0.6
161.04587	1.7
161.05931	0.4
161.09738	1.1
163.04004	0.5
163.10025	0.6
163.11314	10.0
164.11633	0.6
167.87958	0.3
171.10275	2.1
173.04582	4.8
175.03998	0.5
179.03557	1.1
179.05585	0.6
179.10820	1.7
181.12366	16.4
182.12709	1.1
191.05641	12.0
192.06004	0.8
194.10410	0.4
197.11862	11.4
198.12146	1.2
199.13425	10.1
200.13695	0.5
201.11334	5.1
207.10286	26.6
208.10660	2.0
209.11847	8.8
210.12148	0.7
225.11337	43.1
226.11745	3.1
227.12912	1.1
241.10745	0.5
243.12381	26.6
244.12712	2.0
253.09267	1.4
267.07043	0.4
283.13370	0.5
299.01941	0.5
317.15997	0.6
339.05130	1.6
353.09155	0.4
461.20047	1.6
479.21344	6.0
480.21301	0.7
513.10327	1.7
514.10809	0.4
543.27765	1.5
561.29425	1.2
633.31256	0.6
661.30658	3.0
662.32501	0.5
687.32629	10.4
688.32544	2.2
705.33624	100.0
706.33917	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	705.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16016	0.2
57.03452	0.7
59.01364	0.8
60.99302	0.3
61.95971	0.2
66.62630	0.3
67.01879	0.8
69.03465	0.3
71.01382	1.2
71.02995	0.8
73.02937	0.3
81.03454	0.5
82.96328	0.3
83.05029	0.3
85.02964	6.8
86.03300	0.2
87.00888	2.4
93.03475	8.1
94.03819	0.4
99.04527	0.4
109.02994	1.9
111.04530	2.4
119.05025	0.3
121.02980	5.8
122.03299	0.3
127.04047	1.4
129.01970	0.3
132.02170	0.5
133.02992	2.0
135.04555	2.5
137.02501	0.6
147.04544	1.8
155.03517	1.1
159.04533	1.5
160.01701	0.9
161.02478	4.0
163.04080	0.3
167.08672	0.4
168.20798	0.3
169.06552	0.3
170.48587	0.3
173.02414	0.9
173.04590	3.9
174.03285	0.4
174.04912	0.3
177.01892	0.4
179.03496	1.4
185.02505	0.4
187.04044	0.3
191.05640	38.9
192.05891	1.7
193.05016	0.4
193.06628	0.9
195.08209	2.8
196.05241	0.5
206.07333	0.4
207.08113	0.7
209.06096	0.6
211.07680	2.3
215.07188	0.3
221.06108	2.8
222.06859	1.9
223.07672	5.7
224.04851	1.2
224.08063	0.4
225.05597	0.4
229.01314	0.5
234.06763	0.8
237.05550	1.7
238.06390	0.8
239.07152	4.7
240.04402	0.4
240.07475	0.5
248.04790	0.6
249.05611	2.6
249.08105	0.4
250.06343	2.3
251.07137	6.4
252.04254	0.8
252.07480	0.6
265.05099	0.9
266.05869	1.5
267.06631	13.2
268.06903	1.3
269.08145	4.4
270.08569	0.4
277.05090	3.0
280.03793	0.5
283.06076	0.5
293.04523	1.5
294.05109	0.5
295.06134	16.2
296.06464	1.7
311.05594	3.4
312.05948	0.7
313.07220	1.4
321.04071	3.0
339.05118	100.0
340.05475	11.9
353.08914	0.5
456.18619	0.3
487.12518	4.5
488.13052	0.6
495.09433	1.0
513.10376	85.9
514.10742	16.0
519.01837	0.3
531.11615	2.1
532.11322	0.4
705.16864	2.4
706.17432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
67.01902	0.7
69.03439	0.4
70.67206	0.6
70.67618	0.8
71.01374	0.9
75.62164	0.4
81.03465	0.7
83.05031	0.7
85.02959	4.7
87.00880	1.2
88.98802	0.8
93.03468	8.2
105.03490	0.7
109.02969	3.3
111.00804	0.4
111.04523	2.1
121.02966	3.3
121.03797	0.5
127.04012	1.1
129.01959	0.4
132.02232	0.4
132.39795	0.3
133.02988	4.8
135.04543	3.2
137.02417	0.7
147.04552	1.1
155.03577	1.8
157.02946	0.7
159.04538	3.1
160.01651	0.9
161.02458	3.3
173.02325	0.6
173.04573	6.0
174.03247	0.5
176.42075	0.4
177.01962	2.0
179.03499	2.5
185.02484	0.5
191.05638	33.3
192.05954	1.5
193.06520	1.0
195.08157	3.3
196.05382	0.6
196.08449	0.3
203.03502	0.9
206.07265	0.5
207.08174	0.6
209.06062	0.4
211.07564	2.1
221.06146	1.8
222.06853	1.6
223.07649	5.0
224.04703	0.9
224.07857	0.4
225.05466	0.8
229.01414	5.0
234.06758	0.4
237.05569	1.2
238.06178	0.6
239.07133	5.0
248.04691	0.6
249.05568	3.1
250.06325	1.9
251.07091	5.0
252.04320	0.5
252.07375	0.5
253.05092	0.7
254.05917	0.6
264.04333	0.4
265.04907	2.0
266.05817	1.6
267.06610	11.9
268.07022	1.7
269.08148	4.1
270.08423	0.5
277.05054	3.1
278.05627	0.7
283.06073	0.4
292.03790	0.5
293.04514	2.3
294.05020	0.7
295.06134	16.0
295.09497	0.8
296.06473	1.8
311.05566	4.6
312.05826	0.4
313.07260	2.8
321.04028	4.0
322.04294	0.5
337.03458	0.5
338.04056	0.4
339.05099	100.0
340.05426	11.3
351.07233	0.7
353.08728	1.9
357.06418	0.5
381.06470	0.8
469.11520	0.5
487.12485	3.2
495.09436	1.1
513.10358	83.1
514.10681	14.1
531.11530	1.3
532.12360	0.4
705.17004	2.8
706.17499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
65.07279	0.3
67.01894	1.4
69.03466	0.8
71.01387	1.1
71.40796	0.8
81.03478	0.5
85.02951	3.8
87.00898	1.4
93.03471	8.1
99.04501	0.4
108.18667	0.3
109.02969	1.2
111.00853	0.5
111.04542	2.1
114.22333	0.3
121.02981	3.5
122.03461	0.3
127.04039	1.1
132.02129	0.4
133.03009	1.9
134.03732	0.3
135.04552	1.6
137.02457	1.6
145.02943	0.4
147.04530	0.5
155.03522	1.4
159.04507	1.6
160.01663	1.0
161.02486	4.3
167.08676	0.5
171.02959	0.4
173.02432	0.9
173.04568	7.2
174.04919	0.6
177.01942	0.6
179.03526	1.2
187.04129	0.3
191.05632	26.5
192.05998	1.4
193.06566	0.8
195.08243	2.2
206.07274	0.5
207.08147	0.5
209.06093	0.5
211.07622	1.4
212.04781	0.4
221.06018	2.1
222.06796	1.5
223.07668	4.7
224.04797	1.2
233.06143	0.5
234.06889	0.4
237.05571	1.3
239.07161	4.2
248.04762	0.3
249.05537	2.5
250.06454	2.5
251.07146	6.1
252.07423	0.6
253.05043	0.6
265.04990	1.4
266.05826	1.8
267.06589	11.4
268.06982	1.1
269.08200	1.2
277.05045	2.0
278.05640	0.6
280.03818	0.5
293.04453	1.9
294.05408	0.5
295.06119	14.0
296.06601	1.7
311.05655	3.7
312.05942	0.4
313.07193	0.5
318.71262	0.3
321.04074	3.7
329.73611	0.4
339.05115	97.8
340.05450	11.3
351.07095	0.4
381.06146	1.3
487.12659	2.4
491.52563	0.4
495.09714	1.9
496.09006	0.4
513.10376	100.0
514.10706	17.6
531.12085	0.4
705.17456	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.3
58.10287	0.6
59.01384	2.1
67.01888	4.7
69.03471	1.0
70.56601	1.3
71.01382	3.4
73.02950	0.7
77.03969	1.0
81.03468	1.2
83.05046	1.7
85.02962	10.4
87.00883	4.0
89.03979	1.6
93.03474	32.6
94.03809	0.7
95.05061	2.6
101.02435	0.7
105.03490	6.0
108.02178	0.7
109.02980	6.3
111.00884	1.1
111.04537	8.5
115.00378	1.3
117.03476	4.8
119.05094	1.8
121.02954	5.8
123.04541	3.0
127.04046	2.7
132.02257	0.8
133.02980	38.8
134.03781	42.7
135.04611	9.2
137.02464	6.9
145.02974	1.1
147.04500	0.7
149.02486	1.4
149.06104	4.8
150.03244	3.2
151.03995	1.7
154.11859	0.7
155.03561	6.0
159.04538	2.4
160.01616	1.2
161.02480	14.1
163.04039	2.4
171.03018	0.6
173.04579	100.0
174.04897	3.3
175.04019	1.0
177.01952	16.3
178.02527	0.8
179.03523	6.5
185.02394	1.0
191.05635	74.6
192.06013	3.6
193.05083	59.1
194.05405	3.9
195.02995	1.1
195.08095	1.7
203.03523	1.2
211.07622	1.2
212.04846	0.8
215.05579	1.2
221.06067	2.6
222.06900	1.8
223.07681	3.7
224.04752	1.7
225.05441	1.0
229.01477	3.7
237.05585	2.0
239.07089	4.7
240.07404	0.7
241.05028	1.4
249.05600	2.9
250.06149	1.8
251.07126	7.0
252.04259	1.2
253.04993	1.6
254.05898	1.8
265.05038	1.6
266.05817	0.9
267.06601	10.3
268.06955	1.2
269.08224	5.3
277.05075	3.8
279.03098	0.8
283.06158	0.8
293.04599	3.7
293.07443	0.7
294.05243	1.6
295.06140	16.4
296.06421	1.6
307.08264	3.0
311.05499	3.7
313.07190	3.1
321.04077	9.3
322.04288	0.8
339.05136	94.2
340.05377	8.9
351.07263	23.3
351.10532	0.5
352.07663	2.8
353.08771	8.4
354.09033	0.9
367.10358	29.6
368.10608	2.5
399.98447	0.6
463.10767	2.1
469.11356	0.9
487.12460	4.3
488.12726	1.0
495.09229	1.6
513.10394	86.1
514.10736	14.7
531.11578	2.6
532.11884	0.9
696.07288	0.8
705.17047	9.2
706.17084	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.11462	0.4
67.01899	1.9
69.03463	1.2
69.88739	1.8
69.89156	1.0
71.01401	2.0
71.21497	0.4
81.03483	0.9
81.50958	0.4
83.05071	0.8
85.02975	5.7
87.00895	1.3
93.03476	12.5
94.03795	0.4
99.04581	0.6
107.40157	0.4
108.02184	0.5
109.02988	1.5
111.00900	0.5
111.04562	2.9
113.02488	0.5
118.30766	0.5
121.02975	10.9
127.04023	0.9
133.02977	4.4
134.03743	0.9
134.49010	0.6
135.04552	3.9
137.02525	2.4
147.04541	2.3
148.05107	0.5
155.03520	2.2
159.04584	0.5
161.02477	11.8
162.02881	0.7
163.06787	0.4
173.02374	0.6
173.03011	0.8
173.04584	14.4
174.03336	0.4
174.04916	0.9
177.01949	1.6
178.02556	0.6
179.03564	2.6
191.05652	35.8
192.06035	2.1
193.06664	0.7
195.08264	2.2
196.05365	0.7
201.97350	0.4
206.07388	0.5
211.07672	1.6
221.06071	2.5
222.06790	1.6
223.07706	4.7
224.04881	0.9
224.07988	0.6
225.05350	0.5
233.06012	0.6
237.05531	1.7
238.06306	1.0
239.07172	4.8
249.05548	2.6
250.06313	1.6
251.07144	5.3
252.04520	0.7
252.07486	0.7
253.05119	0.5
258.60254	0.5
265.05026	0.8
266.05786	1.2
267.06635	10.4
268.06891	1.1
269.08133	5.9
270.08517	0.6
277.05099	1.8
283.06125	0.9
293.04602	0.7
294.05090	0.7
295.06137	12.5
296.06506	1.1
311.05630	3.6
313.07214	2.9
321.04199	1.3
339.05127	100.0
340.05475	10.6
351.07190	0.9
353.09155	0.5
373.99231	0.5
381.06360	0.8
487.12546	8.3
488.12726	1.2
495.09189	1.7
513.10376	80.1
514.10699	16.0
514.18494	0.9
531.11505	1.9
532.11218	0.5
564.52777	0.5
590.76086	0.5
705.17657	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	704.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.1
61.98836	100.0
62.98521	0.1
71.01400	0.3
78.95914	0.1
89.25303	0.1
93.03483	0.1
98.20593	0.2
109.06619	0.1
146.65018	0.1
152.99548	0.1
173.04645	0.2
191.05562	0.5
197.11917	0.3
198.12328	0.1
207.10327	0.3
209.11861	0.6
211.13422	0.3
223.13387	0.2
225.11435	0.2
227.12949	0.1
273.26953	0.1
285.04144	0.1
306.97693	0.1
313.03766	0.1
339.05383	0.2
459.22153	0.2
460.21283	0.1
513.10504	0.2
651.35461	0.1
705.33014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33644	0.3
58.94422	0.3
61.98832	57.9
63.02397	0.7
65.00331	1.6
71.05296	0.9
77.42687	0.4
78.95919	0.5
83.01410	0.9
87.56087	0.4
93.03476	0.4
97.65852	0.4
107.01418	2.4
124.01681	0.6
125.02494	1.0
137.02449	0.4
151.00392	7.2
152.01141	0.6
163.00456	0.6
169.01491	1.5
169.52289	0.4
173.04588	0.6
174.03339	0.4
178.99837	3.5
191.05690	1.1
209.11748	0.4
210.11967	0.3
224.04787	0.6
227.03526	1.0
246.82947	0.4
251.03548	0.5
265.05063	0.4
271.17035	0.5
279.03110	0.6
280.03845	1.0
292.03772	0.9
293.04550	0.7
295.02536	1.6
296.03143	0.5
304.03973	0.5
308.03116	0.9
309.04279	0.5
319.05893	0.5
320.03287	0.7
321.04105	1.6
322.04742	3.1
323.01892	0.8
323.16592	1.1
324.02740	1.1
326.15137	0.6
335.05731	1.6
336.06009	0.5
348.02762	10.6
349.03375	2.3
349.06976	0.5
351.01410	0.6
351.05176	0.6
361.03622	2.0
362.04205	1.9
365.17300	0.6
379.04605	0.7
391.12088	0.5
393.17255	0.7
417.17004	0.9
433.16519	1.1
434.17609	0.6
450.16928	0.8
451.17426	2.1
461.16052	54.7
462.16354	10.1
478.16278	2.8
479.17133	5.8
480.17538	1.0
513.10571	0.4
641.22516	100.0
642.22821	21.8
668.17236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28996	4.0
59.01387	11.3
61.24261	4.7
61.98839	15.4
64.96403	4.4
69.74682	35.0
71.01382	4.6
78.95916	12.3
109.06591	25.6
152.99561	6.8
163.11301	9.1
171.10321	7.7
174.82950	5.0
207.10262	43.8
209.11876	6.0
235.08165	5.8
241.14478	15.0
253.09297	9.3
255.23291	20.3
277.21735	100.0
278.22025	11.6
389.25800	5.0
395.04147	4.5
480.31244	5.1
660.52594	4.8
703.40723	16.0
704.44470	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	703.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21303	31.8
61.98824	89.4
70.84697	57.4
70.85065	70.9
78.95919	100.0
82.17027	31.7
168.86734	36.2
171.10300	41.8
183.66202	33.3
255.23276	69.6
264.85696	30.8
277.21732	68.2
301.20825	31.2
330.36426	32.1
346.26135	31.2
435.93802	34.9
459.53775	37.3
482.55966	39.2
703.38104	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	703.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35128	0.3
55.01874	0.4
57.03432	0.6
57.90371	0.3
59.01086	0.6
59.01380	10.2
61.19994	0.3
61.98835	1.0
68.82101	0.3
69.03456	0.6
69.50607	0.3
71.01388	5.7
71.05023	0.4
71.28245	0.3
73.02948	1.2
73.51532	0.3
80.02696	2.5
81.03466	3.1
83.01396	0.8
83.05034	7.7
84.02190	1.3
85.02956	1.6
87.00884	1.7
89.02460	3.8
93.03465	1.5
95.01402	0.6
95.05021	1.8
97.02966	5.4
98.20641	0.7
99.00935	1.6
101.02449	5.3
106.04253	0.4
107.05021	1.0
109.06610	24.4
110.03745	1.0
110.06950	1.2
111.04523	0.6
113.02460	2.6
114.02795	0.3
119.03548	1.0
121.06587	1.8
123.04539	0.5
123.08191	0.5
125.02486	0.4
125.06100	0.6
125.09763	2.4
125.10551	0.5
125.13485	0.3
129.01961	0.4
135.08189	3.4
136.05302	0.8
142.02731	1.4
143.03404	0.4
145.05147	0.5
145.10280	0.4
148.95918	0.3
161.04579	2.0
161.05724	0.3
161.09729	1.5
163.11314	16.9
164.11656	1.0
165.09229	0.4
165.12894	2.2
171.10277	1.0
173.04649	0.6
177.12947	0.3
179.05699	0.4
179.10748	0.6
181.12379	3.8
185.11819	2.2
187.09819	0.6
189.09195	1.7
191.05579	0.8
191.10744	1.1
197.11894	1.6
207.10283	60.3
208.10612	4.1
209.11847	100.0
210.12169	7.6
213.09297	0.4
221.11824	0.8
223.13492	0.6
225.11336	28.1
226.11754	2.4
227.12906	16.2
228.13217	1.1
231.10255	1.1
235.08237	2.9
235.13333	0.5
243.12387	0.6
247.13391	1.3
249.11406	0.9
253.09288	9.0
254.09694	0.7
263.12827	0.8
265.14444	1.2
281.13788	0.5
299.15033	0.7
355.22818	0.6
373.23840	1.1
381.20795	0.7
389.23306	0.5
399.21811	5.2
400.22134	0.7
405.17715	0.5
417.22964	4.5
418.23187	0.7
435.23856	0.5
443.19388	3.1
445.20840	1.2
461.20285	8.1
462.20724	1.1
485.20795	0.5
491.25854	0.5
497.06039	0.4
571.89038	0.4
609.29364	0.6
625.32892	0.7
627.30688	0.5
635.30872	15.8
636.31274	4.2
653.31927	13.5
654.32343	3.9
671.32928	24.2
672.33154	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	703.321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83028	0.3
55.01871	0.8
55.32151	0.4
57.03439	1.3
58.00587	0.4
59.01380	5.3
60.99308	0.3
61.98838	3.6
69.03463	2.7
70.35988	0.3
70.36339	1.2
71.01391	5.6
71.04674	0.3
71.05028	2.9
72.99329	0.4
73.02943	1.0
78.95927	0.4
80.02676	0.5
81.03479	0.4
83.01392	0.9
83.05029	1.3
85.02971	1.8
87.00886	1.2
87.02989	0.2
89.02459	3.1
90.55556	0.3
93.03480	1.7
95.01393	0.5
95.05032	0.6
96.96021	0.3
97.02969	2.7
97.06616	2.5
98.20556	0.3
99.00895	13.9
99.04554	0.3
100.01208	0.3
101.02464	4.2
106.04230	0.3
107.05061	0.3
107.29191	0.2
109.02979	0.6
109.06606	1.7
110.03757	0.5
111.04561	0.9
112.14460	0.3
113.02470	1.7
116.15916	0.2
119.03498	0.9
121.06621	0.4
123.08187	1.7
125.02444	0.5
125.09751	6.3
135.04576	0.6
135.08151	0.7
136.05318	0.5
137.02405	0.5
139.39754	0.3
142.02748	0.9
145.05070	0.4
145.10242	0.3
148.04048	0.6
149.09723	0.4
150.40520	0.3
151.11267	1.3
153.12894	1.3
155.03502	0.3
155.14380	0.4
161.02454	0.4
161.04555	1.0
161.09735	2.1
163.03995	0.4
163.11304	6.7
164.11699	0.5
171.10275	0.8
173.04604	1.5
179.10797	3.3
181.12364	10.8
182.12675	0.8
191.05646	3.3
197.11847	33.4
198.12193	2.4
199.13414	7.3
200.13768	0.5
207.10280	20.3
207.38821	0.3
208.10620	1.2
209.11819	4.9
210.12323	0.4
223.09781	0.8
225.11330	28.3
226.11638	1.9
227.12843	0.8
239.12654	0.3
241.10820	3.1
243.12366	14.0
244.12622	0.8
253.09215	1.9
261.63315	0.3
284.05740	0.8
311.05655	0.4
317.16278	0.3
337.03485	0.5
350.08105	0.3
399.22314	0.4
443.18576	0.4
459.19348	0.3
461.20013	0.7
477.19812	1.2
478.19818	0.4
479.21304	2.7
541.26331	0.7
631.30438	0.5
635.30695	0.6
653.31439	0.5
659.32806	1.9
660.33301	0.4
671.32538	1.1
685.31104	1.4
703.32019	100.0
704.32391	22.0
704.45306	0.5
713.82922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
58.00619	0.5
59.01381	17.1
61.98834	4.3
69.03470	0.9
70.25944	0.6
71.01384	6.5
71.22286	0.6
71.70483	1.0
73.02959	1.3
73.04566	0.7
78.92932	0.5
78.95919	0.8
80.02694	1.0
80.44408	0.5
81.03474	2.3
83.01413	1.3
83.05034	2.5
85.02961	2.6
86.39907	0.6
87.00889	1.8
89.02459	4.4
93.03455	1.1
95.01370	0.8
95.05048	1.2
96.32548	0.5
97.02966	4.5
97.06590	0.9
99.00901	1.1
99.64057	0.6
101.02465	4.6
109.06612	21.6
110.03793	0.7
111.00909	0.5
111.04549	0.6
113.02462	2.9
121.06603	1.0
125.02501	0.8
125.09789	1.2
135.04536	0.8
135.08180	2.6
136.05374	1.0
136.78326	0.5
138.37912	0.6
142.02753	1.7
151.11325	1.0
152.99686	0.8
153.09207	0.7
153.12865	1.3
161.03355	0.6
161.04596	2.3
161.09738	1.9
161.46651	0.9
163.11324	11.9
169.12378	8.3
173.04581	1.4
179.05716	0.7
179.10854	1.5
181.12386	2.4
185.11803	1.4
186.43829	0.6
189.09264	1.2
191.05753	2.9
191.10843	0.8
197.11855	100.0
198.12198	6.9
207.10286	51.8
208.10583	3.1
209.11839	4.7
211.13313	0.8
221.72305	0.7
223.13388	1.2
225.11334	24.8
226.11716	2.2
235.08252	4.3
237.11217	1.1
253.09254	9.8
254.09576	0.8
299.14902	1.0
315.23224	0.7
325.21817	1.2
359.22189	3.5
361.24103	0.8
364.78241	0.6
369.20758	5.4
377.23389	2.2
387.21783	12.1
388.22147	1.6
405.22891	3.5
422.44110	0.7
433.20795	5.4
443.19296	3.6
461.20184	7.1
461.25952	0.7
462.20804	0.8
595.31647	3.1
597.28473	0.9
605.29608	2.1
623.30835	31.0
624.31097	7.3
641.31934	30.4
642.32349	7.1
669.31317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
67.01903	0.4
69.83479	0.9
69.83875	2.6
71.01383	0.6
73.44062	0.4
78.95912	0.7
83.05067	0.5
85.02962	5.3
87.00912	1.4
88.98839	1.6
93.03497	3.3
96.96956	0.5
105.76477	0.5
107.05037	0.8
109.02998	0.9
111.04519	2.0
117.03518	0.5
127.04006	2.1
133.02989	3.2
134.03783	4.8
135.04552	51.4
136.04889	2.4
137.02466	0.6
139.18523	0.4
140.03523	0.4
155.03522	1.6
161.02446	4.6
173.04599	3.0
174.87793	0.4
177.01959	0.4
179.03526	50.8
180.03813	3.0
191.05632	100.0
192.06006	4.9
353.08780	82.1
354.09122	9.5
391.04272	0.5
556.76404	0.4
687.35889	0.5
710.66541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25819	0.6
60.99294	1.6
62.05357	0.5
70.72667	1.8
83.01380	0.8
88.98805	6.3
89.64432	0.5
95.39246	0.5
107.01406	1.9
108.02209	0.8
109.02980	0.9
121.02946	0.8
135.04507	0.5
135.87004	0.5
148.01663	0.7
151.00410	8.5
159.10788	0.5
163.00398	2.2
164.01147	0.6
178.99944	4.9
211.04047	0.9
217.01477	0.5
226.02704	0.6
227.03485	2.0
243.03012	6.2
244.03404	0.7
245.04463	1.4
254.02170	1.5
255.02997	17.3
256.03503	2.5
257.04556	0.7
271.02475	39.1
272.02911	4.2
273.03879	1.0
283.02649	0.7
299.02094	0.9
300.02765	85.8
301.03458	36.0
302.03934	2.8
313.79398	0.5
396.11859	0.6
565.69336	0.7
605.11267	0.5
609.14777	100.0
610.15076	20.6
616.70282	0.6
699.17682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39440	0.6
57.49363	0.5
59.01386	3.1
60.99311	16.7
62.05035	0.5
65.00308	0.6
70.91310	1.0
70.91658	1.1
71.01388	1.4
81.27234	0.5
83.01393	0.8
83.05042	0.5
87.00886	1.1
88.98817	85.2
89.02463	0.5
89.99144	0.9
93.03471	2.9
94.94460	0.5
101.02451	0.6
103.95882	0.5
107.01419	1.0
109.02979	2.0
111.04500	1.7
121.03032	1.1
125.02494	0.8
133.02963	1.6
135.04556	1.5
137.02483	1.1
149.02455	0.7
151.00392	5.6
152.03656	0.7
155.03546	2.7
161.02472	0.9
161.08209	3.6
162.08606	0.6
163.04016	0.9
173.04565	2.7
175.00400	0.8
178.99878	1.3
179.03542	1.4
191.05634	4.7
199.04150	2.1
203.09224	0.6
221.05963	0.5
227.03384	0.7
227.07159	0.6
243.02864	2.5
255.03096	1.3
255.10281	1.2
265.04947	0.6
269.04443	0.7
271.02463	25.7
272.02823	1.9
299.01981	48.6
300.02567	10.5
301.03540	44.9
302.03934	4.3
333.00235	1.5
337.08884	0.6
343.04633	1.1
355.08511	1.8
447.09210	4.7
462.08023	14.8
463.08508	7.3
609.14771	100.0
610.15112	18.9
697.11981	0.6
699.17242	7.8
700.18201	0.9
705.52472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01383	2.0
61.98822	0.3
64.35242	0.2
67.01881	0.8
67.11802	0.2
69.82767	0.2
70.56370	0.9
71.01392	1.7
72.99321	0.2
73.02964	0.2
76.14992	0.2
81.03437	0.4
83.05035	0.3
85.02960	5.9
86.03268	0.2
87.00871	1.4
88.98811	0.3
89.02457	0.8
89.58760	0.2
93.03474	5.7
94.03818	0.4
94.56046	0.2
99.00913	0.2
99.04517	0.5
101.02448	0.5
105.03471	0.5
107.05102	0.2
109.02972	1.7
111.04542	1.7
112.55713	0.2
113.02485	0.3
116.92897	0.4
119.05039	1.1
120.05384	0.2
127.04042	1.6
133.02037	0.4
133.02988	6.3
134.03433	0.7
135.04556	10.5
136.04881	0.6
137.02516	1.6
148.07704	0.5
149.06126	0.4
151.04022	0.3
155.03540	1.0
161.02477	22.2
162.02835	1.4
163.04080	1.8
171.03026	0.6
173.04582	13.7
174.04947	0.9
175.05072	0.4
176.01236	0.3
177.00465	0.4
177.01958	6.4
177.16281	0.2
178.02307	2.8
179.03581	11.0
180.03891	0.8
191.05638	100.0
192.05966	5.4
193.06010	1.1
203.03505	0.3
221.04510	0.3
221.46835	0.2
243.06635	0.3
255.06529	0.2
269.08084	0.3
337.09180	0.5
339.07217	1.7
340.07562	1.4
341.08746	10.7
342.09119	1.1
351.07413	0.6
352.07632	0.7
353.08804	23.1
354.09106	2.8
355.09628	0.5
378.71365	0.2
521.11707	0.6
695.17804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	0.5
70.77056	1.4
78.02658	0.4
78.95913	36.0
80.02702	1.7
81.03486	1.9
83.05032	8.3
84.02179	1.0
93.03472	0.5
95.05056	1.6
96.96978	3.3
125.06086	0.7
135.08197	0.9
139.31113	0.4
150.98013	0.6
152.99617	54.4
153.99971	0.8
163.11313	6.0
165.12875	3.4
171.00679	6.2
181.12392	1.0
191.10815	1.8
209.11852	100.0
210.12192	8.1
213.16832	0.5
227.03305	4.5
227.12912	9.1
228.13226	0.7
245.04326	1.8
253.21733	16.5
254.22060	1.8
277.21722	1.3
363.12183	6.4
381.13141	0.7
437.15912	5.5
438.16199	0.7
455.16888	75.8
456.17245	8.7
456.23499	0.5
691.38507	71.6
692.26813	0.9
692.38837	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	693.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81710	0.8
60.55262	0.9
61.98822	2.2
65.07534	0.9
70.71870	3.0
71.63294	0.8
78.95463	1.7
78.95911	28.4
81.03484	1.6
83.05020	3.3
96.96988	1.8
97.90075	0.9
150.98071	1.5
151.31563	0.9
152.91473	0.9
152.99614	34.2
155.17392	0.9
163.11295	2.8
171.00705	4.8
187.59357	0.9
197.11800	3.8
209.11848	37.6
210.12186	2.2
227.12866	5.7
253.21790	1.7
255.23299	100.0
256.23611	11.8
363.12170	6.4
437.15714	4.7
455.16925	1.4
457.18314	3.1
693.40063	96.3
694.40411	22.1
724.43317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.4
71.50885	1.5
78.95911	26.2
80.02700	0.8
81.03442	0.9
83.05023	3.6
96.96979	2.1
116.92941	0.8
120.17065	0.7
123.53241	0.7
145.76791	0.7
152.99603	31.4
153.99988	0.8
163.11351	2.3
165.12881	1.9
166.32484	0.6
171.00670	4.6
209.11841	37.0
210.12178	2.1
211.13383	1.6
227.12871	4.9
255.23288	100.0
256.23636	10.2
300.24918	0.7
363.12137	7.2
377.51044	0.8
437.15710	5.3
455.16861	1.8
456.16946	1.1
457.18048	2.6
693.40009	92.5
694.40417	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	691.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89389	0.8
55.38473	0.7
57.03440	2.0
59.01373	6.1
61.98830	4.9
69.03471	0.8
71.01393	11.1
71.69753	1.1
73.02956	1.0
78.95933	1.3
81.03458	1.4
83.01389	1.9
83.05041	6.1
84.02179	1.0
85.02959	1.4
87.00877	1.5
89.02443	3.4
93.03455	3.3
95.01448	0.8
95.05034	1.5
97.06624	4.8
98.61867	0.8
100.25108	0.9
101.02455	4.6
109.02989	1.4
109.06597	0.8
109.11564	0.7
111.04548	1.4
113.02453	3.1
113.51514	0.7
119.03516	1.0
125.02468	0.9
125.03548	1.1
125.06117	1.0
125.09727	1.6
128.29395	0.8
135.04521	1.3
137.02434	0.9
139.00401	0.8
145.05112	0.8
151.11322	17.6
152.11629	1.1
161.02368	0.7
161.04546	1.8
163.11267	4.0
165.12862	1.8
169.12369	73.4
170.12746	4.0
171.10280	3.0
173.04550	4.8
177.01971	0.7
181.12398	1.1
185.11865	1.2
191.05582	3.0
191.10806	0.9
195.10303	1.1
197.11919	0.8
207.10295	1.6
209.05495	1.0
209.11855	55.5
210.12175	3.2
211.13467	4.6
213.11310	11.7
214.11841	0.9
225.11386	1.3
227.12852	3.8
235.08292	1.3
253.04639	3.2
253.09267	4.2
259.04129	1.1
300.20938	0.9
305.04553	1.1
419.24927	0.9
431.19250	1.2
449.20322	3.8
450.20206	0.9
591.82513	0.8
619.31421	1.0
637.32416	3.0
641.32031	2.2
655.33411	1.1
659.32959	100.0
660.33411	24.4
691.24988	1.4
691.35858	11.0
692.36090	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	691.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04584	0.2
57.53207	0.2
58.23286	0.2
59.01380	0.8
66.84613	0.2
67.01884	0.5
69.03458	0.2
69.67617	0.2
71.01384	0.6
71.69906	0.3
73.02975	0.3
81.05044	0.2
83.05047	0.2
85.02962	5.4
87.00893	1.5
89.10320	0.2
93.03473	3.5
95.54308	0.2
97.87979	0.2
99.04604	0.2
108.02210	0.2
109.02948	0.6
111.04532	1.2
119.04998	0.3
127.04040	1.7
133.02975	1.0
135.04547	1.3
155.03542	0.2
160.33661	0.2
161.02457	2.6
163.04071	0.5
171.02960	0.4
173.04568	3.8
174.04848	0.2
179.03506	1.9
191.05627	100.0
192.05974	4.3
255.10382	0.3
337.09344	0.6
353.08792	19.0
354.09158	2.0
517.13409	0.3
618.48566	0.2
691.19061	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	691.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33915	0.1
55.01869	0.2
57.03411	0.6
58.00584	0.2
59.01379	2.5
61.98787	0.6
71.01389	2.5
71.04990	0.2
71.28867	0.4
72.99279	0.2
73.02908	0.4
78.95882	0.3
80.02650	0.7
81.03469	1.2
83.01367	0.4
83.05034	4.2
84.02173	0.8
85.02956	1.0
86.00117	0.1
87.00858	0.4
89.02454	1.2
93.03490	0.9
94.03681	0.1
95.04994	0.4
97.02938	0.3
97.06585	0.2
97.30190	0.1
99.04486	0.7
101.02460	1.9
106.04240	0.1
106.31661	0.1
109.02953	0.2
109.06602	0.3
111.04514	0.4
111.08150	0.3
113.02473	1.1
119.03506	0.4
123.08184	0.2
125.02482	0.2
125.06060	0.6
125.09735	1.0
127.04092	0.1
127.11344	1.0
130.33676	0.1
133.02995	0.2
134.03716	0.2
135.04503	0.4
135.08148	0.5
137.02440	0.3
137.09712	0.4
139.11417	0.1
143.03508	0.3
145.05083	0.2
147.11711	0.2
152.99614	0.2
155.03387	0.3
155.10764	0.5
161.04549	1.0
163.11308	3.0
163.54918	0.1
165.09169	0.6
165.12859	1.8
166.13251	0.2
171.10300	1.8
172.10661	0.2
173.04552	1.6
178.02745	0.2
179.05647	0.4
181.12344	0.6
183.10315	0.2
191.05629	3.1
191.10768	0.8
192.05974	0.4
199.09790	0.4
201.11340	21.6
202.11693	1.4
209.11845	100.0
210.12178	7.6
223.13234	0.1
225.11334	0.3
227.12901	14.8
228.13188	1.1
235.08247	2.8
236.08566	0.2
241.14511	0.2
247.13283	0.3
253.09288	8.0
253.18602	0.2
254.09766	0.5
271.02460	0.2
274.99103	0.2
300.02686	0.2
301.03510	0.2
305.16061	0.4
375.21976	0.5
393.22992	0.5
419.19321	0.2
437.20404	0.9
438.20724	0.2
445.20892	2.8
445.26755	0.2
446.21298	0.4
463.21875	0.4
520.20825	0.2
547.31824	0.3
563.73370	0.2
593.31189	0.2
611.31628	0.5
629.32275	0.3
637.32971	0.5
675.26935	0.2
691.37280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.3
59.01385	0.7
67.01894	0.9
69.03461	0.3
69.74024	1.3
69.74442	0.4
71.01385	1.1
73.02967	0.3
81.03470	0.5
83.05056	0.7
85.02960	6.0
85.40307	0.2
86.30375	0.2
87.00880	1.5
93.03470	7.3
94.03809	0.4
109.02984	0.6
111.04536	2.9
119.05046	28.3
120.05342	1.2
127.04027	1.5
133.02956	1.1
134.03711	0.4
135.04544	12.4
136.04852	0.7
137.02464	1.3
155.03496	2.2
161.02467	1.7
162.05186	0.2
163.04031	57.0
164.04347	3.4
171.02992	0.4
173.04573	20.5
174.04933	1.0
179.03517	12.9
180.03859	0.7
191.05627	100.0
192.05981	4.2
255.10220	0.3
291.11670	0.3
337.09299	24.7
338.09689	2.6
351.07071	0.4
352.07895	0.4
353.08792	29.7
354.09103	2.8
362.27460	0.3
517.13428	0.6
606.50055	0.3
691.18835	1.4
692.19250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
67.01892	1.0
69.03470	0.3
69.73935	1.7
69.74360	1.0
71.01386	1.3
73.02975	0.4
83.05056	0.8
85.02961	7.3
85.56421	0.3
87.00868	1.8
93.03471	8.7
93.07843	0.3
94.03789	0.4
108.22113	0.3
109.03011	0.4
109.34531	0.3
111.04545	4.3
119.05046	54.5
120.05367	3.1
127.04040	1.6
133.02913	0.7
135.04547	11.2
136.04857	0.4
137.02475	0.8
145.02994	0.7
146.01672	0.3
155.03552	3.0
161.02464	1.9
163.04030	97.0
164.04359	5.7
171.03021	0.4
171.89639	0.4
173.04567	20.9
174.04959	0.6
179.03525	9.3
180.03717	0.4
191.05629	100.0
192.05943	4.6
337.09296	57.6
338.09668	7.7
343.08115	0.4
353.08771	16.2
354.09177	2.0
500.79501	0.4
517.13385	0.5
576.77441	0.4
614.87372	0.4
691.19006	0.8
692.19733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15575	0.4
57.03445	1.1
59.01386	2.7
60.99312	0.6
67.01896	4.0
69.03461	1.1
69.69773	2.6
71.01398	4.1
81.03472	1.0
82.31664	0.3
83.05038	1.4
85.02959	8.7
87.00877	2.7
91.05531	0.4
93.03469	29.6
94.03806	1.2
96.04380	0.4
99.00886	0.6
99.04539	0.7
107.05025	0.8
108.02208	0.9
109.02979	2.4
111.00921	0.8
111.04542	6.5
113.02455	0.8
115.00390	1.7
119.05038	5.4
125.02509	0.4
127.04034	1.5
133.02968	1.0
134.03770	2.3
135.04546	65.1
136.04895	3.3
137.02452	4.4
139.00310	0.4
144.46808	0.4
154.05084	0.3
155.03510	5.0
156.04034	0.4
156.77153	0.4
161.02473	4.8
162.53783	0.4
163.04044	9.4
165.01939	0.4
171.03029	0.8
173.04573	100.0
174.04930	4.2
177.01855	0.7
179.03519	60.0
180.03889	3.0
191.05629	73.6
192.05989	3.1
207.87781	0.4
226.06380	0.7
227.07069	1.9
233.04602	0.8
255.10245	4.2
277.03537	1.5
281.08151	0.7
307.59854	0.4
319.04501	0.9
325.03476	1.3
337.05588	0.3
337.09286	6.6
338.09552	0.6
343.08246	1.5
353.08789	80.6
354.09067	8.2
499.11465	0.4
517.13617	3.0
518.13916	0.6
575.78625	0.4
676.64355	0.4
691.19000	12.5
692.19452	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	691.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01374	1.0
60.99297	0.2
61.98833	0.1
63.34718	0.1
67.01890	0.9
69.03462	0.2
71.01376	1.1
73.02941	0.2
78.95907	0.1
81.03458	0.4
83.01379	0.1
83.05014	0.4
85.02433	0.2
85.02963	6.2
87.00888	1.6
93.03469	6.3
94.03809	0.4
96.96037	0.2
98.20628	0.3
99.00881	0.3
99.04529	0.3
103.75088	0.1
105.03482	0.2
107.05061	0.1
108.02174	0.1
109.02978	1.0
111.00887	0.2
111.04536	1.6
112.04916	0.2
113.02474	0.2
113.74909	0.1
115.00404	0.3
119.05051	0.4
125.02475	0.2
127.04028	1.7
129.01939	0.1
133.02982	1.8
134.03716	0.2
135.04547	7.0
136.04878	0.4
137.02454	0.9
153.01907	0.1
155.03511	0.9
157.01466	0.2
161.02460	2.8
162.02785	0.1
163.04051	0.7
171.03035	0.5
173.04572	11.1
174.04851	0.6
177.01993	0.6
178.02213	0.1
179.03514	6.2
180.03879	0.4
191.05627	100.0
192.05972	4.3
215.05635	0.2
226.06310	0.2
227.07141	0.4
229.26678	0.1
233.04491	0.2
255.10254	1.0
259.68896	0.1
277.03513	0.4
280.91342	0.1
289.05847	0.2
329.44641	0.1
335.07736	0.1
337.09277	0.5
343.08023	0.3
351.07227	0.3
352.07483	0.5
353.08780	28.1
354.09146	3.3
354.12766	0.1
361.09680	0.2
370.52490	0.1
499.12506	0.2
515.51398	0.1
517.13678	0.7
518.13855	0.2
593.15491	0.1
691.19128	2.9
692.19653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.3
61.98834	18.8
71.01392	17.2
72.40867	3.7
78.95912	76.7
81.03456	4.7
85.02956	7.2
87.00911	4.0
87.48992	3.2
89.02448	9.8
93.03474	13.7
96.96983	8.3
101.02474	13.0
101.10323	3.7
103.73733	2.8
111.04578	5.7
111.49051	3.2
113.02467	3.5
113.09749	6.4
125.02444	12.0
135.04532	5.5
137.02449	9.8
152.99602	41.9
155.03555	6.5
161.04561	4.0
173.04596	19.3
179.03432	5.2
179.05528	4.3
191.05624	54.3
209.11842	25.9
235.08261	8.1
255.11923	3.3
255.23259	47.8
256.23569	6.1
276.29269	3.1
277.21664	5.3
284.68182	3.7
293.21237	26.6
294.21466	3.7
297.15884	3.1
363.11688	4.1
381.53134	3.5
397.13553	94.2
398.13751	8.7
415.14590	21.6
429.20477	12.8
447.21817	3.8
489.19495	4.3
495.01611	3.5
503.13663	4.1
560.90295	3.7
653.26489	8.0
653.37518	17.7
654.37994	6.3
657.33966	31.1
658.34698	7.4
689.35724	100.0
690.36835	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	689.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
58.00595	0.9
59.01382	6.5
61.98832	2.0
65.85487	0.3
67.01878	0.6
68.99857	0.4
69.03466	0.6
69.69025	2.6
70.19627	0.3
70.56573	0.3
71.01389	59.2
71.05043	0.4
72.01739	1.0
72.99311	0.7
73.02955	3.5
75.00873	0.4
78.95906	0.3
80.02678	1.7
81.03464	2.7
83.01400	1.1
83.05039	7.2
84.02184	1.0
85.02957	3.6
87.00889	2.7
89.02453	3.4
93.03474	3.3
95.01422	1.0
95.05031	2.4
97.02968	2.7
97.06617	1.0
99.00906	1.5
99.04566	0.4
101.02456	5.5
107.05022	0.6
109.02969	0.8
109.06610	7.6
110.03740	0.5
111.00940	0.6
111.04533	1.7
111.08192	0.4
113.02482	2.5
116.92876	0.4
119.03495	1.0
121.02993	0.5
121.06575	0.5
123.04542	0.7
124.01637	0.4
125.02494	0.8
125.06104	1.0
125.09763	2.4
127.04050	0.3
127.11285	1.7
128.34406	0.3
133.02945	0.8
133.06604	0.4
135.04556	1.5
135.08145	2.0
137.02461	1.2
137.09734	0.4
137.35031	0.4
139.07697	0.8
142.02765	0.6
142.67126	0.3
143.03473	0.9
145.05095	0.8
149.09735	0.4
151.00415	0.5
151.11243	0.5
153.09207	0.4
153.12791	0.4
155.03519	0.8
155.10803	0.8
161.02504	0.5
161.04610	1.6
161.09721	0.8
163.11322	9.7
164.11613	0.5
165.09207	0.7
165.12843	2.1
167.10814	0.6
171.10295	32.2
172.10617	1.7
173.04588	4.4
173.06049	0.8
177.01968	0.5
178.02728	0.8
179.05606	0.5
179.10753	0.6
181.12358	3.3
183.10295	0.6
185.11812	2.7
189.09166	1.3
191.05647	7.3
191.10767	1.1
192.05956	1.1
195.10251	0.5
197.11819	2.2
199.09731	1.4
199.13437	0.7
201.11343	14.6
202.11659	0.8
207.10278	22.5
208.10651	1.4
209.11847	100.0
210.12172	7.8
211.13348	0.9
215.12863	1.5
221.11803	0.9
223.13330	0.4
225.11331	26.4
226.11668	2.1
227.12900	11.6
228.13223	0.6
231.10318	0.5
233.11815	0.7
235.08223	3.7
235.13417	0.6
243.12338	1.7
245.11797	0.4
250.86124	0.3
251.12837	1.4
253.09306	9.7
254.09554	0.4
265.14096	0.4
281.21964	0.4
295.10419	0.6
300.02380	0.4
301.14493	0.4
337.34375	0.4
373.23587	0.5
399.21994	1.1
407.19022	0.4
417.22897	1.8
443.19174	1.0
445.20410	0.7
452.75128	0.4
461.20276	4.8
462.20523	0.8
479.21283	0.6
482.12201	0.4
487.21136	0.4
635.31146	1.3
636.31042	0.4
653.31653	2.1
654.32404	0.7
671.32849	3.0
672.33105	0.9
689.34094	6.3
690.34344	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	689.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03450	2.3
58.00604	0.7
59.01385	8.9
61.98835	1.8
69.03484	0.8
70.29131	1.9
71.01390	8.3
71.05026	4.0
72.99324	0.5
73.02966	1.7
80.02676	1.3
81.03479	2.4
83.01386	1.2
83.05033	6.5
84.02179	1.3
85.02965	3.6
87.00878	3.0
89.02443	3.9
93.03481	3.5
95.05026	1.5
97.02956	4.7
97.06590	2.9
99.00900	19.9
99.04485	0.7
101.02454	5.0
109.02976	1.1
109.06633	3.6
110.03765	1.4
111.04528	1.6
113.02466	3.0
119.03516	1.3
123.08182	1.7
125.02459	1.1
125.06135	0.7
125.09743	7.3
127.11341	1.0
135.04559	1.4
135.08208	1.6
136.05328	0.7
137.02498	1.2
153.12885	0.8
155.03575	0.7
161.04588	1.9
161.09810	0.7
163.11324	15.8
164.11679	1.0
165.12869	3.0
171.10301	31.3
172.10626	1.2
173.04601	6.4
177.31320	0.5
178.02800	0.9
181.12381	19.2
182.12735	1.3
189.09264	0.9
191.05653	12.9
191.10770	1.6
192.06081	1.7
192.39339	0.6
197.11865	1.8
199.09862	1.0
199.13422	11.0
200.13838	1.2
201.11334	2.7
207.10294	30.9
208.10693	2.4
209.11855	84.4
210.12187	6.2
211.13277	1.1
224.67229	0.6
225.11339	49.4
226.11646	3.5
227.12932	9.1
228.13200	0.7
235.08218	3.8
243.12364	22.9
244.12682	1.3
253.09299	7.0
281.79510	0.7
307.49442	0.7
407.19266	1.2
445.20593	1.5
461.20453	5.0
479.21304	9.2
480.21686	1.2
653.32019	1.0
671.32837	5.2
672.33386	0.7
681.26331	1.1
689.34106	100.0
690.34460	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74450	0.5
57.13896	0.5
59.01377	1.4
65.05659	0.6
69.51550	3.9
69.51962	1.5
71.01381	1.3
81.03488	0.7
83.05029	1.1
85.02970	5.1
87.00890	1.7
88.98804	0.6
93.03474	6.7
99.00902	1.6
99.04504	1.1
109.02971	1.9
111.04538	3.1
113.02503	1.0
117.03472	1.6
119.05034	2.7
121.02883	0.6
123.00869	1.2
126.75310	0.6
127.04008	1.6
129.01967	0.7
129.03505	1.0
130.04256	1.2
131.05080	2.8
133.03004	4.4
135.04555	5.8
136.04866	0.9
137.02412	1.2
143.03535	0.6
143.05019	1.8
145.02980	5.9
146.03807	4.0
147.04547	12.3
148.04929	1.1
151.04010	1.0
155.03548	1.5
155.05107	0.5
157.02968	2.4
158.03697	1.2
159.04552	15.0
160.01656	0.6
160.04852	1.6
161.02501	3.8
161.06082	1.4
162.03058	0.9
163.04056	5.3
169.03015	0.8
171.04529	2.2
172.01686	0.7
173.02451	10.5
173.04558	14.8
173.06000	1.4
174.03247	5.9
174.04767	1.1
175.02496	1.1
175.04021	21.5
176.04422	0.8
177.01933	1.5
177.05554	0.9
179.03503	1.4
183.04495	1.0
185.02463	4.9
185.06134	0.9
187.04024	11.9
188.04672	1.8
189.01935	3.6
189.05540	1.4
190.02585	1.1
191.03641	2.2
191.05629	36.0
192.06046	2.8
192.07487	0.6
193.06110	0.7
199.03979	1.5
201.01917	6.4
201.05611	2.3
202.02715	1.5
203.03520	18.3
204.03871	1.2
205.05051	1.6
211.04068	1.6
213.01950	5.8
214.02527	0.7
215.03494	2.1
216.00615	3.3
217.01440	24.2
217.03281	1.0
217.05057	2.1
218.01749	2.1
219.02959	2.4
227.03519	1.6
229.01480	5.1
229.04976	4.1
230.02133	2.1
231.02994	68.7
232.03329	5.8
243.03012	4.3
245.00758	0.7
245.04594	0.9
247.02432	2.9
255.02969	1.8
257.00909	11.5
258.01193	1.1
259.02469	1.2
261.03986	1.1
269.01276	0.6
271.02368	1.1
273.04053	13.9
274.04242	1.3
275.01953	4.2
277.03500	1.1
291.05072	12.7
292.05411	0.6
299.02078	3.9
307.04688	0.8
315.07355	0.6
317.03085	10.7
318.03406	0.9
335.04193	5.0
351.07272	2.2
353.08789	2.1
371.09863	2.0
372.10382	1.1
373.10315	1.8
391.06628	1.7
413.04312	0.7
449.07156	2.1
471.11447	0.8
491.08011	3.3
509.09366	100.0
510.09711	15.4
689.17279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
57.03701	0.4
59.01379	13.0
61.98827	1.0
65.00338	0.4
65.63322	0.4
69.03462	0.5
69.69042	2.8
71.01385	6.3
71.42587	0.4
72.99318	0.4
73.02946	2.8
73.78927	0.3
74.62254	0.4
81.03456	2.2
83.01392	10.3
83.01868	0.6
85.02950	3.9
87.00925	0.6
89.02449	3.8
93.03483	1.4
95.01405	2.4
96.96031	1.4
97.02970	0.4
99.00915	0.6
101.02467	4.1
107.01404	0.6
108.02190	69.0
109.02990	32.8
110.03313	1.1
113.02456	3.1
119.03522	1.3
121.02976	1.5
123.00876	1.6
123.04541	1.5
124.42950	0.3
125.02458	5.1
125.03284	0.4
131.03455	0.4
133.02988	1.3
134.03709	0.6
135.00864	0.8
135.04570	1.5
137.02512	0.5
142.17104	0.4
151.04016	2.1
152.01175	70.6
153.01965	29.8
154.02289	1.5
161.02496	0.5
161.04555	1.0
162.02939	0.5
163.04036	2.3
165.01924	2.0
172.05397	0.5
173.04649	0.6
173.06136	1.0
177.01930	0.7
179.03510	1.0
181.05119	0.5
191.05603	1.1
191.07170	0.5
195.02982	0.7
204.42918	0.3
216.04233	1.2
217.04979	2.1
221.11928	0.5
225.04060	0.4
239.05923	0.6
252.44351	0.3
259.07269	0.4
297.05829	0.8
315.07208	31.6
316.07584	2.9
357.08289	10.5
358.08655	1.0
379.10550	0.6
397.11127	1.8
398.11926	0.5
399.09503	3.0
400.09634	0.4
423.09482	2.1
502.07434	0.4
553.69763	0.4
671.21844	1.0
689.23181	100.0
690.23480	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3989
Annotation	Incarvillateine D
Peak:m/z	Relative Intensity
57.03445	1.4
59.01384	5.4
61.98830	7.8
71.01390	3.2
71.71223	0.7
73.02934	0.9
78.95903	0.9
81.03457	0.7
82.10614	0.5
83.01394	0.7
83.05003	0.8
85.02962	3.0
87.00897	1.6
88.27748	0.6
88.98813	1.6
89.02460	1.5
93.03448	2.5
96.43665	0.5
99.04525	1.0
101.02458	1.5
108.02214	0.8
109.02979	2.9
109.06622	0.9
111.04538	0.9
113.02469	1.3
113.06071	0.6
116.92889	0.5
119.05025	0.7
121.02885	0.8
123.08228	0.7
125.02480	0.8
133.02971	1.1
135.04543	2.4
135.08226	0.8
136.05389	0.7
137.02397	0.7
137.09772	0.7
145.03001	1.1
149.06120	3.5
150.06898	38.0
151.00388	1.0
151.07338	1.8
152.03506	0.6
155.10738	1.0
157.12341	0.6
161.02467	0.9
161.09746	1.7
163.04059	1.0
163.07677	7.6
163.11348	0.9
164.08444	6.1
171.10295	1.8
173.04590	2.4
176.08447	0.7
177.09300	1.0
178.10019	2.2
179.03519	1.6
179.10808	18.1
180.11174	1.1
188.49165	0.6
191.05643	8.1
197.11845	0.7
205.08672	0.7
207.10272	1.2
209.11809	5.0
213.11333	0.6
215.12929	0.7
216.54247	0.5
223.09802	1.2
225.11354	1.6
241.10835	1.2
253.09471	0.8
271.02496	1.0
272.09323	3.6
283.13489	0.8
299.02005	1.2
301.03064	1.1
315.04968	1.7
316.05130	0.8
343.24890	1.6
345.22784	4.1
434.14633	2.2
446.29907	0.8
461.32816	0.8
462.33478	0.5
464.31360	5.4
465.31992	0.8
478.32925	0.7
479.33746	7.4
480.34183	0.9
506.32446	0.9
507.33264	2.4
508.33713	0.7
524.33252	2.9
525.34320	27.8
526.34656	5.7
624.14209	4.5
625.15137	0.9
643.37012	0.6
669.31140	1.4
687.39905	100.0
688.40198	24.5
688.52423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98834	98.6
63.02417	1.8
65.00320	3.1
69.82582	2.5
71.01408	0.9
71.21281	0.5
78.95887	0.7
83.01393	2.5
93.03474	0.5
98.20532	0.4
107.01405	6.1
108.01720	0.6
124.01690	0.8
125.02486	3.0
126.02822	0.4
133.03014	0.4
139.80888	0.4
151.00397	17.3
152.01001	2.3
152.99716	0.5
153.01900	0.8
156.99605	0.4
160.12122	0.4
161.02458	1.8
162.03178	0.7
163.00386	1.1
164.01102	0.5
169.01442	3.6
170.01761	0.6
171.10356	0.6
172.05328	0.6
175.84319	0.4
178.99901	13.8
180.00214	2.1
180.66594	0.4
191.03430	0.5
193.01364	0.5
200.04695	0.4
201.11382	0.4
209.11850	2.4
211.03969	0.6
213.05511	0.4
224.04863	0.8
225.11264	0.7
227.03574	0.5
237.05766	0.4
240.04178	0.4
265.04837	0.5
266.05658	0.5
269.04199	0.6
271.17065	1.5
279.03128	0.6
280.03741	1.4
281.04504	1.5
282.04947	0.6
292.03735	0.6
293.04562	0.5
294.05038	0.5
295.02539	1.2
296.03165	1.7
297.03821	0.9
299.16507	1.2
305.04532	0.6
307.06107	0.4
308.03281	0.7
317.04501	0.4
320.03552	0.8
321.04120	0.6
322.04922	1.9
323.01846	1.1
323.16531	4.2
324.02759	3.8
324.16919	0.6
325.03183	3.6
326.03793	1.0
333.04202	0.5
335.01868	0.5
335.05515	0.7
338.04288	0.7
343.19144	0.6
344.19678	1.2
345.20416	0.7
347.16510	1.0
348.02835	9.3
349.03192	2.2
351.01459	0.6
351.05264	0.7
361.03619	1.6
362.04276	1.9
365.17480	1.3
373.20203	0.9
374.20563	1.0
389.17560	0.6
393.17130	0.8
395.18842	0.5
407.18768	0.9
417.17126	1.1
421.16357	0.8
423.18124	0.8
433.16696	2.0
434.17099	0.5
438.10281	0.5
451.17636	8.4
452.17932	1.2
461.16046	44.8
462.16330	7.2
478.16302	1.7
479.17017	19.0
480.16397	2.9
507.20273	1.4
508.20569	5.8
509.20880	0.5
525.21375	1.5
526.21637	4.2
527.21765	0.7
536.25958	1.4
562.23474	0.9
600.93817	0.4
625.23047	100.0
626.23395	22.4
688.27057	6.9
689.26575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3261
Annotation	Kidamycin
Peak:m/z	Relative Intensity
50.67010	0.2
52.63972	0.2
55.01882	0.7
57.03458	1.1
58.00601	0.3
59.01385	5.4
61.98834	0.9
69.03468	4.1
70.57034	0.4
70.57433	0.5
71.01394	5.2
71.05030	1.8
73.02959	0.9
77.23221	0.3
77.95552	0.2
78.95910	0.3
80.02692	1.1
81.03474	1.2
83.01408	0.7
83.05034	5.2
84.02166	1.1
85.02981	1.5
87.00910	1.2
87.89495	0.2
89.02452	2.5
93.03485	0.9
94.29249	0.2
95.01391	0.5
95.05039	1.2
97.02975	0.8
97.06619	1.2
99.00911	0.7
99.77180	0.2
101.02464	3.8
109.02979	0.3
109.06606	1.3
111.00870	0.3
111.04532	0.5
111.08186	0.2
113.02472	2.2
119.03479	0.5
120.81845	0.2
123.08188	1.2
125.02462	0.4
125.06111	0.6
125.09756	2.4
131.03477	0.2
135.08235	1.0
137.09784	0.5
143.03577	0.3
145.05089	0.3
147.11865	0.3
149.09747	0.4
151.11298	2.9
151.12341	0.3
153.12859	1.3
161.04568	1.1
161.09752	3.6
162.10107	0.3
162.48497	0.2
163.11316	4.2
163.12538	0.4
164.11650	0.3
165.12881	2.6
165.71634	0.2
171.10281	1.9
173.04604	1.4
179.05548	0.4
179.10794	7.1
180.11163	0.4
181.12354	1.3
185.11803	0.3
191.05679	2.4
191.10832	0.9
197.11855	45.8
198.12192	2.9
199.13397	0.6
207.10294	2.3
208.10486	0.4
209.11853	60.5
210.12206	4.3
223.09776	1.3
225.11394	1.8
227.12912	4.4
228.13170	0.5
235.08290	0.7
241.10835	2.5
243.12375	0.5
253.09288	3.7
296.16208	0.3
389.23245	0.3
403.02124	0.2
459.18704	0.7
477.19870	2.2
525.27814	0.3
651.29761	0.3
669.31427	1.0
670.31177	0.3
687.32562	100.0
688.32953	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01382	7.2
61.98830	2.7
68.99830	3.3
69.03453	1.5
71.01391	15.1
71.05048	0.5
71.69616	0.8
72.99301	2.0
73.02967	1.4
80.02676	1.4
81.03468	2.0
83.01389	1.3
83.05031	7.3
84.02168	1.2
85.02969	3.1
87.00879	2.0
89.02454	3.6
93.03476	2.2
95.01400	1.7
95.05029	1.8
97.02972	2.5
97.06606	1.7
99.00892	1.4
101.02456	4.1
107.05066	1.1
109.02963	1.8
109.06596	2.0
110.03745	1.4
111.00880	1.1
111.04539	9.7
111.08163	0.7
113.02494	3.1
119.03514	0.6
121.03012	0.6
122.03751	0.9
123.04530	1.9
123.08183	1.8
125.02460	0.8
125.06110	1.7
125.09755	4.6
127.11334	0.9
135.04523	0.8
135.08153	1.0
136.89201	1.5
137.02361	0.6
137.09763	0.9
149.09778	0.7
151.11316	2.4
153.09207	1.5
161.04576	2.0
161.09731	3.4
163.11310	5.3
164.08459	0.6
164.11568	0.6
165.12872	2.5
171.10292	40.5
172.10648	1.9
173.04611	1.6
177.09212	2.4
179.10808	7.4
180.11150	0.7
181.12315	0.9
185.11868	2.3
187.09743	0.8
191.05653	5.0
191.10822	1.5
195.10239	1.4
197.11794	4.4
199.09799	1.0
201.11224	1.7
203.03723	0.6
205.08710	9.8
206.09122	0.6
207.10295	5.2
209.11845	100.0
210.12164	8.6
213.11353	5.2
221.11903	1.1
222.12151	0.7
223.09772	31.2
223.13338	1.7
224.10139	2.1
225.11339	4.6
227.12909	14.7
228.13275	1.4
235.08205	4.6
239.12825	0.7
240.13028	0.7
241.10899	3.5
241.14424	1.2
253.09274	10.0
254.09573	1.0
259.05188	0.6
330.46790	0.6
356.30118	0.6
371.22452	0.7
397.20218	0.9
407.19385	1.4
415.21457	1.2
433.22186	0.7
441.17624	1.4
445.20630	1.4
459.18481	5.2
460.19580	0.9
465.35425	1.1
477.20093	1.3
581.30017	0.7
633.29047	1.2
643.29559	1.0
651.30432	5.6
652.30756	1.4
669.31256	9.6
670.32056	2.1
687.32587	17.7
688.32904	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	687.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01389	0.9
61.98833	0.8
62.89807	0.5
63.02397	2.8
65.00330	7.1
69.25436	0.4
71.40537	1.3
78.95923	1.3
83.01397	4.4
85.95153	0.5
89.41679	0.5
93.03477	0.6
95.01412	1.6
98.78162	0.5
107.01411	9.8
111.00887	2.0
112.23902	0.4
123.00919	2.4
124.01684	11.6
125.02484	6.7
133.03014	1.0
135.04559	1.8
137.02519	1.1
139.00375	2.6
141.01974	1.5
145.02991	1.5
151.00400	43.6
152.01186	62.5
152.99599	0.9
153.01498	2.4
160.01778	0.5
161.02473	5.0
162.03230	3.1
163.00351	0.7
163.04030	4.8
166.99860	0.6
169.01434	5.5
171.10234	0.7
173.02437	1.1
173.04596	0.6
173.41035	0.5
174.03239	0.5
175.04082	0.9
176.70099	0.5
178.99886	54.6
180.00220	2.7
187.04123	0.5
189.01967	3.6
190.02785	1.7
190.99911	0.7
191.03554	4.9
191.05524	1.0
192.00642	1.5
192.03951	0.7
193.01462	1.5
203.03455	0.6
207.03041	1.0
207.10252	0.5
209.11897	2.4
215.03360	0.7
217.01358	2.9
223.09702	0.6
227.03554	1.3
229.05209	0.7
239.03510	1.1
240.04141	0.5
241.05112	1.1
243.02995	2.3
255.03006	1.0
257.04553	1.0
267.03070	1.1
269.04602	1.2
271.02505	4.9
279.03015	0.6
280.03784	0.8
280.27130	0.5
281.04526	1.1
285.04004	4.8
286.04861	0.8
295.02539	1.8
296.03250	3.8
297.04053	8.0
298.04413	0.8
299.01941	6.2
300.02722	4.7
301.03485	0.6
302.71017	0.5
313.03650	2.0
314.00693	0.8
314.04309	14.2
315.04950	2.3
317.21161	0.6
324.02795	3.1
325.03503	5.3
327.01599	0.5
327.19998	0.6
342.03625	0.5
343.04477	6.1
343.19080	0.9
344.20020	1.1
345.20874	3.0
371.18753	6.1
461.19632	1.4
478.20313	1.2
479.20401	2.3
489.19009	2.4
490.19388	0.6
495.20386	0.6
496.21130	1.6
497.21790	10.7
498.22321	0.8
505.09903	51.8
506.10196	7.7
507.20090	1.1
641.26581	0.7
643.24402	0.8
659.27222	100.0
660.27539	24.4
669.25403	3.7
670.25989	0.9
687.26837	11.9
688.26929	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	687.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27219	0.6
53.00392	0.6
57.03450	1.0
57.42099	0.6
59.01361	1.0
63.02407	2.8
65.00328	7.4
66.13522	0.6
69.93829	1.0
69.94239	2.1
70.90604	0.5
79.79215	0.5
83.01402	4.2
93.13228	0.6
95.01409	1.3
96.02165	0.6
107.01416	11.2
107.23947	0.5
109.03038	0.5
111.00905	1.6
123.00892	2.7
124.01683	15.6
125.02472	8.5
133.03006	1.0
135.04509	1.3
139.00401	1.8
141.01945	2.0
145.02988	1.7
147.04568	0.7
151.00398	44.6
152.01183	72.8
153.01454	2.9
160.01680	0.6
161.02487	6.5
162.03230	3.4
163.04022	5.3
169.01456	4.3
173.02498	1.6
175.04007	1.4
178.99884	58.0
180.00185	2.8
189.01985	3.7
190.02673	1.9
191.03505	5.9
191.05252	1.0
192.00652	1.8
193.01305	0.9
197.11823	2.1
199.04044	0.8
203.03552	0.9
209.11830	2.2
211.13373	1.9
217.01460	1.9
227.03586	1.0
239.03493	0.6
241.04932	0.9
243.02965	1.5
253.05046	0.8
255.02988	0.8
256.03702	0.8
257.04498	0.8
267.02957	1.5
268.03595	0.8
269.04578	1.2
271.02499	5.5
271.05566	0.8
281.04703	1.4
285.04059	3.9
286.04706	0.7
295.02521	2.5
296.03299	4.4
297.04056	7.9
298.04398	0.9
299.02072	6.4
300.02789	4.2
307.02405	0.7
313.03601	0.7
314.00656	0.7
314.04321	14.8
315.04858	2.4
324.02753	2.8
325.03448	5.0
327.19675	0.8
342.03906	2.1
343.04663	5.4
343.19208	1.1
344.04550	0.7
344.19971	0.9
345.20776	2.6
348.02927	1.2
353.17468	0.9
371.18698	5.6
461.19659	1.1
479.20401	2.6
489.19104	2.5
496.20840	2.2
497.15060	0.5
497.21796	9.4
498.22214	1.4
505.09885	50.0
506.10223	8.0
535.25366	0.8
659.27216	100.0
660.27576	22.9
669.25610	2.7
687.26678	11.6
688.27179	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	687.268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.8
61.46257	0.5
61.98824	1.4
62.62592	0.5
63.02404	2.6
65.00326	6.2
69.99445	3.3
83.01383	4.1
95.01385	1.5
96.02150	0.8
98.19943	0.8
105.17570	0.6
107.01413	11.0
111.00890	2.2
115.83595	0.4
121.13880	0.5
123.00906	2.8
124.00833	0.9
124.01680	13.1
125.02477	6.7
133.02913	0.7
135.04530	1.2
139.00383	2.0
141.01927	1.6
145.02927	0.7
151.00394	43.9
152.01178	66.6
153.01508	3.4
159.04500	0.6
161.02495	5.7
162.03244	3.1
163.00375	1.5
163.04019	5.7
169.01414	3.9
173.02446	1.3
175.03975	1.3
178.99881	54.0
180.00246	2.6
183.04597	0.7
189.01888	3.8
190.02669	1.9
191.03511	5.6
192.00549	1.1
193.01390	1.5
199.03986	0.6
203.03566	0.6
211.04156	0.7
215.03342	0.6
217.01527	2.6
227.03496	1.5
239.03458	1.0
240.04236	0.6
241.04904	0.6
243.02930	1.2
251.03487	0.7
255.02951	0.6
256.03833	0.7
267.02988	0.8
269.04514	1.9
271.02438	4.8
281.04510	0.8
285.04034	3.7
295.02542	2.0
296.03244	4.2
297.04025	7.6
298.04562	0.9
299.02026	6.5
300.02716	4.6
313.03629	1.7
314.04337	13.4
315.04910	2.6
315.19482	0.9
317.21338	0.7
324.02789	2.7
325.03491	4.7
328.20389	0.5
342.03955	0.7
343.04523	5.5
343.19012	0.6
344.19882	0.7
345.20709	3.5
348.02664	1.2
371.18710	5.9
372.19022	0.9
461.19867	1.4
478.19867	0.9
479.20807	2.8
489.19308	3.0
496.20944	1.5
497.21841	10.9
498.22205	1.6
505.09875	43.2
506.10394	5.3
507.20511	1.0
535.25323	1.3
625.22998	1.9
659.27209	100.0
660.27533	21.0
669.25763	2.8
687.26776	16.5
688.27252	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	687.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
57.20481	0.4
59.01390	2.2
60.99313	0.9
67.01898	3.8
69.03452	1.0
70.77081	1.6
71.01385	3.3
78.95905	0.7
81.03485	1.1
83.05051	1.1
85.02972	4.2
87.00896	3.0
93.03475	28.0
94.03813	0.7
98.19983	0.6
99.00899	0.8
108.02197	3.3
109.02991	4.1
111.00890	0.4
111.04539	4.9
113.02508	0.4
117.70358	0.4
118.98199	0.4
121.02972	1.0
123.04541	2.7
127.04041	1.2
133.02997	0.7
133.96928	0.4
134.03720	0.6
135.04547	47.1
136.04866	2.3
137.02466	4.3
139.04050	0.6
147.04469	0.6
151.04021	1.8
152.01180	1.6
153.01930	1.1
153.05621	3.0
155.03537	3.6
159.04529	0.5
159.31966	0.5
161.02490	1.0
163.04039	0.6
167.03458	1.2
173.04575	100.0
174.04904	4.4
177.01958	0.6
179.03513	4.1
187.04117	0.5
189.02065	0.6
191.05635	60.3
192.05992	3.2
193.06221	0.7
197.04599	1.7
208.47998	0.4
229.01486	0.8
269.08212	1.0
278.05972	0.6
295.06021	0.6
299.78427	0.4
313.07303	0.6
315.07269	2.2
321.03918	0.5
333.06003	0.4
339.05252	0.7
341.08755	4.0
345.09381	0.6
353.08762	6.9
371.09854	86.2
372.10196	9.5
432.90082	0.6
495.09009	0.5
513.10162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49747	1.0
57.03445	2.5
59.01346	1.6
61.98833	40.8
63.02397	8.5
65.00325	14.1
68.99819	1.4
70.53989	3.6
71.01388	2.3
73.10233	0.9
73.76151	1.0
78.95917	1.9
81.03458	1.1
83.01393	12.4
93.03474	1.3
101.02445	1.1
107.01406	24.8
108.01694	1.5
109.02949	1.2
111.04534	1.7
121.80492	1.0
124.01701	3.7
125.02470	12.4
125.95716	1.0
133.02957	1.8
137.02501	1.7
145.02980	1.0
151.00392	100.0
152.01192	20.5
153.01956	6.1
161.02467	20.3
161.11900	1.0
162.03226	10.6
163.00359	3.2
163.03960	1.6
169.01457	21.9
171.10301	1.8
173.02441	1.7
174.03226	3.8
175.03979	1.2
178.99881	83.5
180.00186	3.0
181.01424	1.5
183.04533	1.3
187.04158	1.4
188.01183	5.1
189.01894	3.6
190.02701	4.2
191.03607	2.2
191.05542	2.2
192.00778	1.3
193.01318	1.3
199.03992	1.9
200.04764	1.7
203.03491	1.8
209.11880	4.9
214.02687	2.6
217.01306	1.3
224.04788	2.8
227.03426	2.0
235.03954	1.6
236.04839	1.5
237.05531	2.5
238.02803	1.4
239.03429	1.7
240.04234	3.5
251.03503	1.3
252.04219	2.5
253.05125	1.4
255.23245	2.4
256.03790	2.4
257.04834	1.2
264.04202	1.1
268.03827	2.3
269.04462	2.3
279.02994	4.0
280.03860	5.6
281.04562	14.8
282.04752	1.2
285.03958	1.0
295.02600	4.8
296.03262	13.9
297.03955	5.5
299.01913	2.0
299.20169	1.6
300.02502	1.1
309.03842	1.9
315.19592	2.8
323.02100	1.4
323.16580	1.5
324.02762	61.2
325.03452	23.0
326.03824	3.3
327.19577	2.3
337.03531	2.9
338.04001	1.6
343.19131	15.8
344.19904	7.7
345.20526	5.0
348.02640	4.4
352.02225	2.1
355.19070	2.4
371.18640	2.2
372.19376	4.5
373.20215	18.1
374.20404	3.0
381.16953	1.6
395.18744	1.2
399.17996	1.4
409.92831	1.0
439.20514	1.7
451.17609	4.0
461.15866	21.3
463.21304	4.4
464.28314	1.4
465.28671	1.8
479.15695	2.3
479.20612	14.3
480.20914	2.7
489.18967	1.5
495.20172	1.2
497.21664	5.1
506.19431	3.5
507.20209	54.4
508.20551	9.1
525.21277	52.2
526.21674	8.7
535.25427	11.9
536.25745	2.3
561.23529	7.7
625.23010	48.9
659.26660	2.2
687.26715	78.1
688.27209	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	685.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
60.99310	8.4
67.66944	0.4
69.51118	2.3
69.51551	1.6
71.01382	0.6
83.01379	0.8
83.12078	0.4
85.02967	0.6
87.00886	0.4
88.98820	38.4
89.99156	0.6
93.03467	0.9
95.05058	0.7
97.02937	0.7
101.02447	0.5
107.01423	1.4
108.02186	1.2
108.98167	0.4
109.02969	1.2
121.02970	0.8
125.02444	0.6
133.03020	0.4
135.04573	0.6
137.02499	0.6
139.04057	2.4
148.01747	0.9
151.00404	4.6
152.01201	0.8
153.01942	1.8
162.78419	0.4
163.00420	1.0
165.01973	0.6
173.04587	1.9
178.99887	3.1
179.03592	0.4
183.03047	3.9
191.05632	3.5
204.34047	0.4
226.02684	1.1
227.03510	1.5
243.03003	7.4
244.03500	1.0
254.02216	1.6
255.03003	19.7
256.03345	1.6
260.33469	0.5
267.06711	0.6
271.02484	43.0
272.02933	5.1
283.02853	0.4
293.04773	0.9
299.02051	1.4
300.02771	100.0
301.03284	14.3
311.05487	0.7
319.04730	0.7
337.03488	0.5
366.88651	0.5
467.09637	0.6
493.07660	0.7
511.08755	1.0
595.13104	97.2
596.13409	16.8
685.20715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
60.60371	0.6
61.98834	1.2
63.02406	0.8
65.00320	2.9
70.14893	1.5
70.15311	2.1
71.01398	0.7
78.95903	1.8
83.01384	1.4
93.03496	0.7
93.47519	0.7
98.20026	0.6
104.38200	0.7
107.01407	4.6
124.01687	1.0
125.02434	2.4
134.89508	1.6
135.04608	0.6
145.02962	1.4
147.04526	0.8
151.00391	13.6
152.01161	3.6
152.99611	0.7
160.01651	0.7
161.02466	2.8
163.00464	1.2
171.10268	1.3
174.03180	0.7
178.99857	8.0
180.00212	0.7
185.02429	0.6
189.01959	1.8
191.05623	2.1
201.01929	7.9
209.11884	1.2
211.03969	0.7
215.03519	0.8
225.05582	0.6
227.03549	1.0
229.01355	1.2
231.02885	0.9
239.03525	3.2
240.04121	0.9
243.03032	4.9
251.03539	1.7
254.02104	0.7
255.23355	1.3
258.65753	0.7
267.03033	1.3
269.04565	2.1
279.02924	1.3
279.23334	1.1
280.03638	0.9
281.24753	0.7
294.01694	1.2
295.02451	11.9
296.03232	17.2
297.03998	12.4
297.25104	0.7
298.04446	0.9
308.03287	1.4
309.03979	1.3
311.01813	1.0
313.03485	1.9
323.01968	7.5
323.05658	2.9
324.02786	3.6
325.03464	1.1
327.19693	1.6
336.02548	0.9
338.04272	1.2
340.02304	6.4
341.03018	28.6
341.17450	0.9
342.03326	2.8
348.02603	1.2
351.05093	4.7
364.02405	1.0
370.17645	0.9
371.18683	1.1
382.68829	0.7
461.15692	1.8
478.20120	3.1
503.08569	1.4
505.18814	3.1
523.19617	1.1
634.59003	0.7
685.25208	100.0
686.25574	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
61.98820	0.9
67.01883	0.8
69.03467	0.4
70.08216	0.7
70.08633	0.8
71.01389	1.7
73.02937	1.0
81.03449	0.7
83.01395	1.1
83.05013	0.8
85.02960	5.4
87.00874	1.2
89.02454	0.9
93.03472	8.1
95.01420	0.3
99.04534	0.6
101.02446	1.1
107.05019	0.3
109.02980	2.4
111.04536	2.1
113.02443	0.7
119.03465	0.4
119.05029	0.5
121.02972	7.0
125.02433	0.7
127.04030	1.2
131.86862	0.3
133.02974	1.8
134.03743	0.4
135.04556	3.2
136.04930	0.3
137.02492	1.8
145.02945	0.7
147.04520	2.0
151.00438	0.5
155.03519	1.1
159.04559	1.9
160.01660	0.8
161.02481	3.8
162.02679	0.3
167.08656	0.5
167.14400	0.3
171.03050	0.4
173.02486	1.9
173.04587	3.3
174.03122	0.4
175.04001	0.4
177.01804	0.6
178.99910	0.4
179.03520	2.5
181.06664	0.3
183.08176	0.5
185.02530	0.4
191.05626	32.9
192.05974	1.9
193.06633	0.9
195.08157	3.5
196.05281	0.4
196.08470	0.5
197.06093	0.4
201.01929	0.3
203.03386	0.4
205.06641	0.5
207.08177	1.0
209.06046	0.5
211.04056	0.3
211.07637	2.4
221.06062	4.0
222.06805	2.3
223.07642	6.1
224.04805	1.8
224.07985	0.7
225.05551	0.7
227.03543	0.3
229.01465	0.4
234.06905	0.3
236.99474	0.3
237.05598	2.0
238.06288	1.4
239.07118	5.6
243.02954	0.8
248.04733	1.0
249.05569	3.9
250.06262	2.3
251.03322	0.4
251.07130	8.3
252.04257	0.8
252.07433	0.7
253.04881	0.5
255.03079	1.6
265.05005	1.7
266.05856	1.9
267.06604	13.5
268.06995	1.5
269.08167	5.3
270.08475	0.7
271.02469	3.2
273.43484	0.3
277.05075	3.5
279.03058	0.5
280.03809	1.0
282.29819	0.3
283.06073	0.5
293.04663	2.2
294.05267	0.7
295.06125	21.7
296.06445	2.4
300.02762	7.7
301.03537	0.9
309.38605	0.3
311.05646	5.1
312.06058	0.8
313.07178	2.8
313.11334	1.1
321.04074	7.2
322.04446	1.0
331.14111	0.4
336.52875	0.3
337.09705	0.3
339.05106	100.0
340.05441	11.4
351.07047	0.5
353.08853	0.8
365.18198	0.6
381.06100	0.8
407.30896	0.3
411.06339	0.3
451.10352	0.9
469.11356	2.7
470.12180	0.4
487.12500	2.6
495.09320	84.9
496.09695	14.8
513.10382	10.6
514.10785	1.9
531.11255	0.7
545.84161	0.3
625.14252	7.5
687.15320	1.8
688.16028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10024	0.2
53.53613	0.2
55.88284	0.1
59.01391	0.3
61.98835	100.0
62.98544	0.2
66.35036	0.2
71.01403	0.4
71.69540	0.3
85.02998	0.4
87.00935	0.3
87.78476	0.2
93.03476	1.2
105.90266	0.2
111.04549	0.3
125.02483	0.3
135.04567	0.7
137.02501	0.6
155.03535	0.3
171.10341	0.3
173.04579	2.8
174.05003	0.2
178.02715	0.3
179.03625	0.6
191.05656	3.5
209.11932	0.3
313.03647	0.2
353.09131	0.3
393.19254	0.2
452.15640	0.2
486.81729	0.2
492.60080	0.2
681.25995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.8
59.01382	6.0
61.98846	0.3
69.03467	0.6
70.28497	1.4
71.01385	5.1
71.05029	0.3
72.99310	0.4
73.02959	0.6
78.95926	0.6
80.02681	0.3
83.05058	0.8
85.02965	1.0
87.00895	0.5
89.02451	4.1
95.01385	0.5
95.05058	1.4
97.06603	12.4
98.06960	0.6
101.02453	3.5
113.02471	2.3
119.03530	0.8
123.08177	6.4
124.08533	0.3
125.09744	96.6
126.10075	4.0
138.36813	0.3
143.03476	0.3
143.10803	1.6
161.04617	0.9
167.10811	0.4
169.08716	2.2
179.05643	0.9
183.15652	0.3
187.09775	73.2
188.10101	3.4
188.57452	0.3
191.05699	0.5
201.11411	0.3
211.09770	0.9
253.09294	1.7
255.23306	0.7
261.13370	1.4
277.21722	15.5
278.22092	1.8
295.22058	0.3
398.74258	0.3
405.17670	4.0
406.18231	0.4
407.61664	0.3
423.18710	14.5
424.19220	1.1
437.40414	0.3
521.34888	0.4
631.73065	0.3
683.40332	100.0
684.40662	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	683.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78566	0.3
57.03453	4.7
59.01381	4.2
61.98836	0.8
69.03468	1.2
71.01388	4.1
71.03185	0.8
71.05046	0.4
72.99336	0.4
73.02959	1.4
78.95902	0.6
80.02689	0.6
83.01390	0.8
83.05032	0.9
85.02942	1.8
86.00111	0.4
87.00887	2.3
89.02440	1.8
93.03482	1.2
95.05043	1.8
97.06605	14.7
98.06950	0.9
99.00903	0.4
101.02451	4.4
101.03075	0.5
104.74260	0.3
113.02452	1.9
119.03536	0.5
123.08183	9.0
125.02429	0.4
125.09743	82.7
126.10072	3.7
137.02493	0.8
143.10783	0.9
144.97641	0.3
145.05092	1.7
159.04530	3.1
161.04604	1.6
169.08710	1.8
169.15990	0.3
173.04698	0.4
182.32028	0.3
187.09779	35.7
188.10112	1.7
203.03494	1.6
226.25136	0.3
235.08247	2.2
253.09338	2.7
255.23036	0.4
259.20596	0.3
261.13577	0.4
277.21729	41.0
278.22043	4.3
313.17978	1.6
345.62073	0.4
359.07904	0.8
402.16196	0.4
405.17679	4.5
423.18652	4.5
424.19043	0.5
467.31589	1.5
513.31287	0.4
514.08661	0.4
529.24512	2.2
530.24542	0.4
565.40900	0.4
610.72504	0.4
646.84943	0.4
683.40338	100.0
684.40668	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	679.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.7
60.99300	1.1
67.01904	3.6
69.03459	0.8
71.01385	4.7
71.70896	1.2
73.02978	0.6
81.03455	1.7
83.05040	1.0
85.02956	10.2
85.16362	0.7
87.00886	3.0
93.03471	24.9
94.03812	0.9
96.74104	0.6
99.04528	1.0
107.05050	0.8
108.02215	1.0
109.02976	3.3
111.00888	1.6
111.04546	5.5
115.00369	1.0
119.05044	3.0
127.04005	2.5
133.02980	2.8
134.03810	3.6
134.43846	0.8
135.04544	49.8
136.04883	2.5
137.02477	4.2
143.49464	0.8
143.50516	0.7
147.04643	0.7
149.06036	0.9
155.03508	4.7
161.02469	3.9
163.04059	4.8
173.04575	78.6
174.04857	3.4
177.01927	1.2
179.03514	46.4
180.03860	2.9
191.05630	100.0
192.05934	4.8
193.05078	3.0
226.06285	1.5
227.07132	5.7
255.10281	5.4
257.51709	0.8
281.08344	0.7
341.08810	0.8
343.08047	4.4
353.08798	72.2
353.58984	0.9
354.09207	6.0
406.14133	0.7
505.13419	1.0
517.13647	4.2
599.45038	0.9
610.96198	0.8
679.18988	5.3
680.19604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09000	0.6
57.03456	1.1
63.02407	3.5
65.00320	7.1
68.33548	0.6
69.84068	3.0
69.84483	0.9
83.01398	4.7
89.15859	0.6
93.03464	1.0
96.95997	0.7
107.00704	1.0
107.01404	13.0
108.81834	0.6
124.01688	2.5
125.02468	6.7
133.02939	0.8
137.02422	0.8
137.27907	0.6
151.00397	46.6
152.01192	9.7
153.01958	4.6
153.28326	0.6
155.03496	0.6
161.02484	6.8
162.03238	6.9
163.00284	1.1
163.03964	1.3
169.01445	11.3
173.02472	0.7
173.04527	1.3
174.03230	1.3
175.03661	0.7
177.17424	0.6
178.99883	51.8
180.00195	2.4
181.01459	0.7
188.01160	0.9
188.04741	0.8
189.01924	1.1
190.02684	2.5
191.03477	0.7
191.05618	3.4
193.01378	1.1
215.03409	0.7
224.04805	0.8
228.04079	0.7
240.04250	1.0
253.05269	0.8
256.03720	0.8
268.03683	0.7
269.04514	0.8
279.02988	1.4
280.03781	3.0
281.04477	4.0
287.16467	1.5
295.02448	1.6
296.03223	5.7
297.04056	4.0
297.06927	0.9
299.01843	1.1
299.16327	1.7
315.16000	6.2
316.16782	6.9
317.17599	3.4
324.02750	23.2
325.03433	10.8
326.03955	1.5
327.15970	0.7
337.03439	1.3
343.15491	1.6
344.15942	0.9
345.17081	8.2
346.17264	1.2
371.15005	1.1
433.17072	0.8
435.17749	0.9
451.17584	8.5
452.18088	1.1
469.18530	1.1
473.70792	0.8
479.17166	14.9
480.17117	3.0
491.22830	0.8
497.18201	7.2
498.18716	1.2
517.20935	3.7
560.37109	0.7
616.24762	0.8
643.24078	100.0
644.24408	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48714	0.8
57.03450	76.5
58.00597	2.6
58.03773	1.6
59.01381	100.0
60.01722	1.4
61.98830	1.8
66.14542	0.9
68.68893	0.9
69.03448	2.2
70.90073	1.8
71.01389	61.1
72.01710	1.3
72.99306	4.3
73.02956	19.2
74.02486	1.7
74.21107	0.9
79.05526	1.5
81.03468	4.9
83.01393	14.1
85.02950	12.1
87.00883	4.3
89.02457	56.6
90.02814	1.1
93.03461	3.0
95.01410	4.6
95.04994	1.1
96.72223	1.1
97.02969	1.0
97.06578	1.5
99.00864	1.0
99.04534	56.4
101.02460	67.3
102.02828	0.9
108.02191	21.5
109.02990	11.1
113.02473	34.4
113.06080	2.1
119.03522	27.8
119.04906	1.1
120.03826	1.1
121.02985	1.0
123.04554	13.5
125.02470	40.1
126.02818	1.2
131.03531	5.9
133.02968	1.6
135.04539	10.1
139.84381	1.0
141.05609	2.0
143.03539	12.9
149.04587	8.5
149.05611	1.3
152.01173	24.9
153.01968	9.6
153.05597	2.7
155.03505	1.1
161.02473	2.3
161.04597	22.1
162.04926	1.7
163.04002	1.8
165.01884	1.4
171.51265	0.9
173.04530	2.6
179.03510	4.5
179.05637	40.4
180.06009	1.3
183.06433	1.2
191.05620	4.1
203.08347	1.0
216.04297	1.6
216.63596	0.9
221.06689	4.2
223.39204	1.0
245.09300	3.2
261.09579	1.3
315.07162	12.5
316.07425	1.6
349.42365	1.0
357.08258	3.3
503.10791	1.1
515.24701	5.0
533.26025	13.7
534.26508	2.5
575.26184	1.7
614.15985	1.2
677.22198	20.6
677.30566	36.9
678.20428	4.8
678.30835	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	678.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	14.5
63.02397	1.0
65.00321	3.1
69.70081	0.5
69.91403	2.6
83.01392	2.7
93.03474	0.8
95.01382	0.8
107.01408	4.3
109.02895	0.6
111.00877	1.2
116.92870	0.5
123.00917	0.6
124.01690	6.5
125.02499	5.9
129.76112	0.4
133.02998	1.0
135.04533	1.0
137.02393	0.7
139.00394	1.7
139.40155	0.5
141.01956	1.1
145.03003	0.4
150.99156	1.0
151.00392	23.2
152.01181	34.4
153.01768	1.6
161.02458	4.4
162.03223	1.7
163.04034	4.5
164.00987	0.5
169.01457	3.5
173.04535	0.9
175.04019	1.2
178.99879	31.3
180.00235	1.1
184.05252	0.5
189.01929	2.0
191.05602	1.4
192.00641	1.4
193.01393	0.8
207.02942	0.5
241.05046	0.5
243.02971	0.8
255.02853	0.6
267.03000	0.5
271.02411	2.0
285.03952	1.1
287.16504	0.7
289.17987	0.9
295.02234	0.6
296.03253	2.3
297.04028	4.4
299.01959	3.7
300.02649	4.1
313.03522	0.7
314.04208	1.1
315.05075	0.6
315.16064	0.9
315.19614	1.2
316.16681	1.4
317.17535	4.7
341.17133	0.6
343.15488	8.4
344.15869	1.0
347.18680	0.9
357.16742	0.5
359.18729	2.8
433.16568	0.7
451.17282	2.1
452.18066	0.5
467.93707	0.5
468.17532	0.5
469.18680	10.4
470.19012	1.9
515.22668	1.8
615.24597	100.0
616.24939	23.6
634.30396	3.6
635.30481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
59.01372	0.6
67.01913	0.3
71.01399	0.4
71.69502	0.3
71.69906	0.4
81.03483	0.5
83.05048	0.4
85.02965	1.3
87.00912	0.5
89.03975	1.1
93.03474	3.1
95.05097	0.3
96.96030	0.4
99.04565	0.4
105.03477	1.9
109.02970	0.4
111.04522	1.3
119.05051	23.6
120.05387	1.8
127.04066	0.4
133.02989	6.1
133.03993	0.3
134.03458	0.3
135.04500	1.2
136.99191	0.7
137.02492	1.6
148.01746	0.3
149.02454	0.7
151.04005	0.4
155.03500	1.2
156.65256	0.2
163.04034	46.4
164.04382	4.0
165.04546	0.8
173.04587	3.0
176.01151	1.6
177.01953	100.0
178.02292	5.4
179.03545	0.5
191.05644	15.8
192.05981	1.3
193.06161	0.5
283.09967	0.3
297.07376	0.3
323.05936	0.4
337.09311	18.6
338.09637	3.1
339.07211	42.6
340.07574	4.0
353.08817	0.3
366.77252	0.2
376.07684	0.3
397.02539	0.2
677.19440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57262	0.4
57.03446	1.9
59.01385	11.3
59.44847	0.5
65.00318	0.5
69.03473	0.8
69.51003	1.7
69.51425	2.5
71.01391	6.2
73.02967	2.3
77.88843	0.5
81.03464	1.5
83.01399	9.2
85.02959	5.2
87.00932	0.5
88.53683	0.4
89.02449	1.0
93.03464	1.8
95.01393	2.2
98.20631	0.9
99.00891	0.6
99.04522	0.7
101.02470	5.2
108.02193	61.3
109.02988	28.2
109.91473	0.4
110.03313	1.2
113.02486	2.9
118.82236	0.5
119.05070	0.4
121.02985	1.4
123.00885	1.8
123.04514	1.0
125.02463	5.1
128.22777	0.4
129.52191	0.4
133.03014	1.0
134.03696	0.5
135.00874	0.9
135.04549	1.6
137.02444	0.6
143.03394	0.5
151.04036	1.9
152.01183	63.4
153.01979	24.3
154.02332	0.9
161.04564	2.3
163.04030	2.1
165.01942	1.9
173.04663	0.7
175.04025	0.5
177.01872	0.6
179.03520	1.1
181.05017	0.5
191.05586	1.2
191.07158	0.8
195.03160	0.5
216.04185	0.6
217.05048	2.7
223.56531	0.4
235.11807	1.0
297.06131	0.6
315.07230	29.5
316.07480	2.8
357.08276	9.0
358.08627	0.6
397.11621	1.7
398.25220	0.5
399.09515	2.1
423.09448	2.3
428.52371	0.5
589.35260	0.6
659.21600	1.0
677.23218	100.0
678.23547	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	677.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
59.01380	8.3
61.98812	0.5
69.03466	1.0
69.55766	3.3
69.56179	1.1
71.01392	6.3
73.02956	1.4
81.03476	1.8
81.69501	0.4
83.01398	9.0
85.02964	5.0
89.02455	0.6
90.18588	0.4
93.03460	2.6
95.01386	2.6
98.19901	0.9
99.00897	0.9
99.04545	0.5
101.02469	4.9
107.01440	0.8
108.02190	61.1
109.02986	30.8
110.03324	0.5
113.02480	2.8
121.02979	2.1
123.00908	2.7
123.04534	1.4
125.02467	6.3
133.02998	1.5
134.03706	0.9
135.00880	0.6
135.04550	5.1
136.02936	0.4
137.02435	0.7
149.99734	0.5
151.04013	2.7
152.01176	68.5
153.01970	25.2
153.03810	0.7
154.02324	1.0
161.02487	1.0
161.04555	1.6
163.04016	2.6
165.01913	2.4
168.00703	1.8
173.04626	3.0
173.05951	0.8
177.01950	0.5
179.03485	4.8
180.03955	0.5
180.92665	0.5
191.05649	2.6
191.07156	0.7
195.02969	0.6
216.04312	0.7
217.05037	2.9
225.04077	0.7
235.11830	0.7
297.06204	0.9
315.07233	30.0
316.07449	2.1
320.54742	0.5
353.08908	1.0
357.08301	11.5
358.08594	0.6
397.11649	1.9
399.09406	2.1
423.09238	1.8
515.14111	2.7
659.22272	0.8
677.23340	100.0
678.23718	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	676.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98487	0.7
57.03453	2.1
58.00597	0.9
59.01395	6.8
61.98835	11.2
65.80639	0.8
67.76501	0.7
71.01389	4.6
72.99342	1.0
78.95914	1.9
81.03490	0.9
83.01416	3.8
85.02956	3.0
88.98823	0.9
89.02469	1.6
93.03474	2.3
95.05030	1.4
96.96015	2.8
96.96975	1.0
99.04502	1.7
101.02454	3.7
101.16290	0.8
108.02152	1.3
109.02973	28.7
110.03329	0.9
111.04571	1.0
113.02470	3.7
116.92847	4.0
117.92882	1.3
119.05075	1.0
121.03014	1.1
123.04552	11.8
125.02453	2.4
133.02979	1.3
135.04547	3.4
137.02440	1.5
145.03012	0.9
146.08240	0.8
147.04562	1.2
148.05933	0.9
149.02444	1.2
151.00377	1.0
151.04045	9.9
151.70984	0.8
155.03583	0.9
161.02469	4.0
163.04074	1.9
173.04593	2.3
175.04036	1.0
177.01939	8.4
179.03517	2.1
187.04048	1.4
189.01968	15.9
190.02704	3.5
191.03561	3.5
191.05646	5.2
193.05057	1.1
202.02785	1.8
203.03514	3.6
209.11858	1.9
214.02638	2.0
215.03506	14.2
216.00670	1.4
216.04102	1.9
217.01445	13.6
217.04948	0.9
219.02986	3.5
227.12950	1.3
229.01414	2.9
229.05182	1.0
231.03015	3.3
234.01660	1.9
239.03514	2.5
242.02245	7.7
243.02969	7.7
245.04453	0.9
255.02950	3.1
257.04456	1.5
265.05038	1.3
269.00894	6.3
270.01633	0.9
271.02615	1.8
274.01178	7.9
284.03259	3.7
285.03827	2.0
289.07153	3.5
293.04480	1.2
297.03851	0.8
297.07318	1.2
299.05670	1.1
300.02841	2.1
301.03506	1.2
307.06116	1.6
309.04077	5.6
311.05374	1.0
323.05707	6.5
323.09091	1.2
324.06046	1.3
337.03494	1.6
339.04941	1.3
341.06696	46.1
342.06940	4.3
349.06888	1.4
351.05139	3.4
352.05902	1.7
367.08362	2.8
379.04572	4.7
392.14520	0.8
393.06189	36.2
394.06558	6.0
451.10284	3.3
461.08820	7.4
462.09302	1.8
463.09192	0.9
463.58072	0.9
503.09845	62.3
504.10236	12.8
613.13647	100.0
614.14038	20.5
640.14270	2.0
640.25165	0.9
640.35675	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	676.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37997	0.7
57.03441	2.2
59.01376	5.8
61.98837	21.1
69.36575	3.1
69.37003	5.2
71.01382	3.1
73.02952	1.2
78.95902	1.1
80.53685	0.6
81.03452	0.8
83.01373	1.7
83.05019	0.8
85.02948	1.7
89.02478	2.0
93.03466	2.3
95.01391	0.9
95.05038	1.3
99.04497	1.2
101.02440	2.2
108.02172	1.3
109.02971	35.1
113.02460	2.6
116.92864	1.4
121.02989	1.8
123.04555	17.2
124.04864	1.2
125.02457	1.1
126.12194	0.7
133.03004	1.4
134.03835	1.0
135.04549	3.9
136.05322	2.6
137.02441	1.7
137.05673	1.0
145.02972	1.7
147.04474	1.2
151.00520	0.7
151.04037	12.5
155.03528	0.9
157.08730	1.4
159.04546	0.9
161.02486	5.7
163.03996	1.4
163.11337	0.8
165.09216	1.7
166.09566	1.5
173.04546	3.0
177.01971	9.3
179.03487	1.9
187.03954	0.8
189.01974	16.0
190.02657	3.3
191.03613	4.6
191.05460	4.1
197.02510	0.8
201.01947	1.1
202.02678	1.7
203.03476	3.0
209.06122	0.8
213.01988	1.3
214.02640	1.8
215.03494	14.4
216.00630	2.6
216.03909	1.5
217.01445	16.5
217.04865	1.1
218.01852	2.1
219.02985	5.0
229.01433	3.9
229.05051	1.2
231.03044	4.0
232.59694	0.8
234.01675	2.9
239.03493	1.7
242.02190	10.9
243.02895	8.2
255.02962	2.6
256.03558	1.1
265.04837	1.0
269.00900	8.0
270.00922	0.9
271.02451	1.1
274.01215	8.9
275.01419	1.0
281.04538	1.0
284.03284	4.7
285.03854	0.9
297.07526	0.9
300.01944	0.7
307.06033	1.6
309.04044	5.9
310.04636	1.1
311.05420	1.2
323.05579	5.9
324.06262	2.0
325.06931	0.8
337.03171	1.2
339.04877	1.3
341.06693	49.4
342.07013	5.2
349.07172	1.9
351.05154	2.9
352.05948	1.0
367.08295	3.3
379.04675	6.0
384.05103	0.9
393.06177	43.7
394.06680	6.6
451.10388	1.3
451.40915	0.8
461.08832	6.7
462.08862	1.0
467.33002	0.9
478.54050	0.8
503.09811	100.0
504.10202	14.5
512.32971	1.2
513.33331	2.4
515.11945	1.5
531.28320	1.7
567.89410	0.7
613.13635	93.7
614.13971	21.5
619.39197	0.7
675.38898	10.4
676.39404	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	676.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03144	0.6
53.00652	0.7
53.19181	0.7
54.30051	0.5
57.03455	1.3
59.01386	5.0
61.98834	6.2
71.01371	1.9
71.29137	1.7
78.93198	0.6
80.91129	0.6
81.03481	0.8
85.02982	1.1
89.02467	1.1
93.03452	2.0
95.05059	1.0
97.02946	0.7
99.08196	0.9
99.77837	0.6
101.02439	1.8
104.14645	0.7
107.01339	0.7
108.02174	1.4
109.02975	32.1
113.02471	1.9
116.92900	1.5
118.43607	0.6
121.02959	1.3
123.03711	1.1
123.04539	13.2
125.02461	1.0
133.02965	1.8
135.04515	2.9
137.02437	2.2
145.08702	6.5
147.04521	1.5
147.91739	0.7
149.02388	0.7
150.03265	1.7
151.00485	0.9
151.04048	8.8
161.02449	4.0
167.03543	0.8
173.04564	1.2
174.48384	0.6
177.01971	7.8
178.99792	0.7
179.03452	1.3
187.03943	1.3
187.09784	3.3
189.01968	15.1
190.02638	2.5
191.03496	3.5
191.05623	2.3
197.02567	1.1
201.01978	0.8
202.02744	1.3
203.03543	3.9
214.02702	2.0
215.01587	1.2
215.03508	12.5
216.00620	1.4
216.03853	0.8
217.01419	15.3
217.04834	1.2
219.02934	5.3
227.03198	0.7
229.01434	3.7
229.05054	0.9
231.02974	4.1
232.03273	0.7
234.01729	2.1
239.03545	2.8
242.02240	8.9
243.02986	9.1
244.03552	0.8
245.04482	0.8
255.03021	4.3
257.04440	1.2
258.04758	0.7
265.04889	0.8
267.24542	0.8
269.00888	7.6
270.01126	0.9
271.02579	3.9
274.01175	7.2
279.06552	0.8
281.04553	1.6
283.02429	1.0
284.03250	3.0
297.04022	1.3
300.02817	6.5
301.03519	7.6
301.87744	0.7
309.04102	6.6
323.05719	5.6
324.06421	1.6
333.04346	0.7
337.03510	1.3
339.05161	1.7
341.06683	47.3
342.03549	0.7
342.07135	5.1
349.07022	1.7
351.05194	3.2
367.08191	2.5
379.04602	4.5
380.05167	1.0
393.06168	32.5
394.06696	6.2
394.52368	0.9
445.07816	9.0
451.10321	9.9
452.10666	1.6
461.08694	3.7
462.99542	0.7
489.08508	1.1
503.09808	74.8
504.10214	11.6
604.48309	0.7
613.13647	100.0
614.14001	19.6
677.32294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23009	0.3
55.01883	1.4
57.03449	1.8
58.00606	2.5
59.01383	46.8
60.01709	0.5
61.98841	0.9
64.32957	0.3
67.01905	0.4
68.99816	0.6
69.03451	2.4
70.05872	0.3
70.54188	0.9
71.01389	44.1
72.01724	0.8
72.99316	4.0
73.02955	6.9
75.00905	0.9
78.95899	2.8
78.96226	0.3
81.03456	2.0
83.01398	4.5
83.05034	0.4
85.02960	8.9
86.00114	0.4
87.00890	11.0
87.01432	0.6
87.04530	0.5
89.02459	36.6
90.02779	0.7
91.04012	1.2
93.03479	0.9
95.01406	3.6
97.02966	8.0
99.00904	2.3
101.02460	36.4
102.02801	0.8
103.00398	0.4
103.04064	0.5
109.02975	1.0
111.00903	0.7
111.04556	1.7
113.02470	16.9
114.02792	0.6
115.04007	0.8
119.03519	11.1
121.02982	0.9
123.00867	0.4
123.04575	0.4
124.01694	0.6
125.02467	14.6
125.05964	0.3
126.02789	0.5
127.04028	0.7
128.96136	0.3
131.03523	1.4
133.05113	0.7
135.04463	0.4
137.02470	0.6
139.00417	0.6
139.04057	1.5
141.01953	1.1
143.03528	6.9
144.03978	0.4
147.04558	0.4
148.61285	0.3
149.04576	1.1
151.00388	1.0
151.04022	0.4
152.00671	0.3
152.99623	1.2
155.03546	0.4
161.04587	7.9
167.03542	0.9
169.05110	0.5
173.04501	0.4
178.99905	0.4
179.03322	0.3
179.05649	8.0
180.05978	0.4
185.04608	0.6
189.01907	0.8
191.05655	0.9
199.06097	0.9
203.05588	0.6
209.11838	0.7
217.07184	1.2
219.05205	0.7
221.06657	2.8
233.22693	0.6
235.08247	17.5
236.08578	0.6
245.06625	0.8
253.09267	4.0
260.61255	0.3
263.07681	1.6
275.20081	0.5
277.09393	1.2
277.21729	100.0
278.22052	9.9
287.07736	3.3
288.08209	0.5
293.21408	0.4
300.02859	0.5
301.03275	0.4
305.08817	4.1
306.09171	0.4
323.09753	1.8
327.01459	0.5
328.01801	0.7
329.02029	0.6
341.06711	0.7
361.11392	0.7
379.12500	1.3
397.13541	96.4
398.13876	8.6
415.14600	37.4
416.14825	3.4
447.09021	0.5
493.18597	0.7
494.18817	0.9
495.19290	2.3
497.18353	0.4
675.25952	1.4
675.35455	1.2
676.35651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03460	1.2
58.00597	2.7
59.01381	47.7
60.01719	0.6
61.98840	0.5
66.58138	0.2
67.01908	0.2
68.99826	0.6
69.03462	2.8
69.48159	1.9
71.01387	42.8
72.01729	0.7
72.99313	3.3
73.02954	6.7
74.03255	0.2
75.00880	1.2
76.87177	0.2
81.03471	2.1
83.01395	4.5
83.01871	0.3
83.05033	0.3
85.02959	9.7
86.00090	0.3
87.00886	10.4
87.04526	0.5
89.02454	37.7
90.02789	0.7
91.04015	0.9
93.03470	0.4
95.01404	3.0
95.05048	0.4
97.02963	6.9
99.00901	2.5
99.04543	0.7
101.02456	35.7
102.02805	0.8
103.00384	0.2
103.04032	0.6
104.42796	0.2
109.03000	0.8
111.00905	0.7
111.04541	1.2
112.01668	0.3
113.02467	17.2
114.02774	0.4
115.04034	0.7
119.03519	11.4
121.02996	0.8
123.00898	0.4
123.04509	0.3
124.01706	0.5
125.02464	14.7
126.02793	0.4
127.04011	0.5
129.01985	0.2
131.03535	1.7
133.01505	0.2
133.05104	1.3
135.04492	0.2
137.02437	0.5
139.04016	1.4
141.01926	1.0
143.03525	6.7
144.03856	0.2
149.02563	0.2
149.04570	1.2
151.04013	0.2
155.03531	0.3
161.04575	7.8
162.05028	0.2
163.04083	0.2
167.03491	0.9
169.05092	0.5
171.03011	0.4
178.47409	0.2
179.05627	7.4
180.06065	0.2
181.05072	0.3
185.04570	0.6
199.06171	0.8
203.05609	0.7
217.07205	1.4
219.05106	0.6
221.06670	3.0
233.22763	0.5
235.08221	17.4
236.08548	0.9
245.06616	1.0
253.09297	4.1
254.09506	0.2
259.20660	0.6
263.07623	1.7
275.20184	0.4
277.09628	1.1
277.21716	99.6
278.22061	10.4
278.25204	0.3
283.08267	0.2
287.07724	4.3
291.23190	0.5
305.08789	4.6
306.09058	0.4
323.09808	2.0
344.44183	0.2
361.11288	0.9
379.12527	1.3
397.13519	100.0
398.13855	8.3
415.14572	39.8
416.14880	3.3
516.93903	0.2
581.07941	0.2
625.58679	0.2
675.36047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.2
59.01379	6.1
61.98839	11.9
63.02412	4.4
65.00325	19.9
68.30331	2.5
71.01389	4.2
71.69725	4.0
83.01404	14.2
83.09634	2.3
89.02490	2.7
93.03468	3.7
95.01429	4.3
99.82111	2.3
104.99258	2.3
107.01397	26.7
109.02927	3.3
119.01411	5.3
121.03032	3.0
123.00892	3.2
124.01662	9.5
125.02460	18.0
132.02150	3.3
135.04523	2.3
137.02483	2.2
145.02957	5.2
149.02368	2.4
151.00401	100.0
152.01053	7.4
160.01660	6.1
161.02446	12.0
163.00414	34.4
163.04053	2.0
163.08617	2.2
164.00900	2.9
165.01910	5.4
169.01454	9.6
173.02469	4.3
173.04527	3.6
175.00337	4.1
175.03993	3.7
176.01184	4.7
177.01964	21.0
178.99847	16.5
180.00319	2.3
183.04521	2.6
185.02599	2.6
187.00462	4.3
187.04013	5.1
188.01183	6.5
189.01956	69.2
190.02330	2.4
191.05615	9.0
197.11871	2.5
199.03998	3.4
199.13408	2.2
205.01360	5.4
209.06219	2.8
209.11835	8.8
211.04060	8.7
211.13438	4.9
213.01920	3.4
214.02582	2.3
214.99919	9.7
217.01529	2.7
217.05086	2.7
223.04050	2.7
224.04674	3.9
225.05507	4.2
227.03481	10.4
227.12804	2.2
228.04343	3.3
229.05048	2.6
239.03496	9.7
240.04221	6.6
241.01563	3.6
241.05069	4.5
242.02060	4.2
243.02815	5.8
243.11021	2.3
251.03502	9.8
253.01376	2.8
253.05139	4.3
255.02953	18.4
256.03717	6.8
266.02161	3.0
267.02969	15.6
268.03815	3.6
269.04465	10.9
270.01224	2.5
271.02344	3.7
273.03940	4.1
279.02881	9.7
281.04550	3.3
283.02493	7.2
284.03217	9.8
285.03891	4.2
294.01904	3.2
295.02484	31.0
296.03238	18.5
297.04022	20.9
300.02655	2.8
301.03613	3.7
303.16144	2.8
308.02963	2.3
311.01990	24.3
312.02615	10.4
313.03525	6.5
314.15161	3.0
315.16037	11.0
323.02017	44.9
324.02472	10.2
325.03534	30.6
326.03809	3.0
327.01236	6.2
340.02261	38.5
341.03036	86.3
341.13971	4.0
342.03543	9.5
353.02957	8.1
439.16895	2.7
449.16037	15.4
451.17587	6.8
466.16345	10.0
467.17059	41.1
468.17523	6.7
494.13574	2.7
495.16614	78.6
496.17004	13.9
503.08337	84.4
504.08630	13.5
521.09247	5.0
629.22437	65.1
630.22870	16.0
647.23615	29.5
648.23865	5.4
675.23108	49.2
676.23291	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	675.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.6
61.98828	16.0
63.02407	5.6
65.00328	17.2
70.85605	3.6
70.85981	3.7
71.01389	5.1
78.95920	3.0
83.01395	10.9
85.02945	2.7
88.98777	1.8
93.03477	2.1
95.01397	2.8
107.01407	22.3
109.03009	2.9
113.02431	1.9
119.01424	2.4
121.03009	2.7
123.00928	3.5
124.01685	6.1
125.02467	13.4
132.02202	3.7
133.03014	1.8
135.00871	2.1
135.04506	1.9
137.02492	2.7
139.03871	2.0
145.02902	3.0
147.00983	2.4
149.02441	1.9
151.00398	85.9
152.01158	10.7
152.99672	1.8
159.00850	2.9
159.04456	1.6
160.01707	2.4
161.02486	8.6
163.00397	19.0
164.00868	1.6
165.01976	3.0
169.01399	9.0
171.04474	1.6
171.13937	5.2
173.02412	2.9
173.04576	3.4
173.56709	1.5
175.00426	5.6
175.03995	3.2
176.01118	2.1
177.01978	16.8
178.99895	18.6
180.00433	1.9
183.04639	1.7
185.02513	2.4
187.00403	4.7
187.03976	4.1
188.01193	5.1
189.01970	45.3
190.02357	2.8
191.05620	7.4
193.01521	2.8
195.04596	2.5
199.04025	3.3
201.01973	3.1
201.05714	2.0
205.01515	2.1
209.11876	7.5
210.12199	3.1
211.04002	6.4
211.13463	5.6
213.01939	3.2
214.99823	10.0
215.03445	2.6
223.04016	3.8
225.05692	3.8
227.03676	8.2
227.12689	1.9
229.05070	2.7
230.02223	1.9
235.04126	2.1
238.02682	1.8
239.03493	9.2
240.04260	7.0
241.05046	4.0
242.02254	4.7
243.02980	5.6
251.03477	6.2
253.05125	3.5
255.02980	16.8
256.03824	9.2
257.04465	3.0
267.02917	9.7
268.03680	3.7
269.04431	8.2
270.01727	2.9
271.02499	6.8
273.04065	3.0
279.03088	8.9
280.03516	1.9
281.00858	3.0
283.02374	9.2
284.03207	8.1
285.04071	6.8
294.01700	3.5
295.02502	26.2
296.03360	12.0
297.03983	16.1
298.01337	2.7
298.04407	2.6
299.01947	2.7
300.02771	5.7
301.03537	7.5
308.03287	2.2
311.02002	21.4
312.02737	8.0
313.03571	16.0
314.03738	2.4
314.15292	3.5
315.15979	3.8
323.01993	45.4
324.02493	9.3
325.03586	27.1
326.00653	2.8
326.04117	3.0
327.01501	5.3
340.02240	34.1
341.03043	100.0
341.13989	3.1
342.03436	10.8
353.03040	7.2
411.18280	1.7
421.16495	2.9
439.17505	4.1
449.16183	11.3
450.16718	3.1
451.17792	3.6
452.17999	2.1
466.16260	11.7
467.17090	54.6
468.17657	8.3
478.75897	2.0
495.16611	62.7
496.16882	9.5
503.08337	85.0
504.08658	13.9
513.17218	1.9
521.09534	7.7
522.09558	1.8
629.22614	65.3
629.33038	3.7
630.22961	12.7
631.24072	2.0
643.33875	1.9
647.23254	18.5
648.23376	4.4
675.23303	41.1
675.34467	3.0
676.23944	8.7
676.34094	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75898	0.2
55.01897	0.2
57.03444	0.7
59.01376	1.2
60.99314	1.2
65.03950	0.2
67.01896	3.3
69.03452	0.7
69.76077	0.9
71.01387	2.1
71.80219	0.1
72.99311	0.2
73.02949	0.4
79.08302	0.1
79.43706	0.1
81.03482	0.9
83.01402	0.5
83.05029	0.7
85.02959	5.0
87.00883	5.2
93.03470	22.0
94.03823	0.8
95.01386	0.2
96.96005	0.8
97.02997	0.2
98.20525	0.2
99.00892	2.4
99.04553	0.3
102.98611	0.4
109.02982	1.3
111.00902	0.6
111.04530	4.2
113.02438	0.2
115.00391	2.7
117.03496	0.3
119.05044	8.1
120.05358	0.4
121.03003	0.4
125.02441	0.2
127.04032	1.3
129.01962	0.5
133.02974	0.7
134.12103	0.1
135.04553	1.2
136.04836	0.2
137.02444	0.9
137.79590	0.2
138.02774	0.2
139.00334	0.9
143.03502	0.3
143.04912	0.2
145.02948	1.5
147.04558	0.3
149.06122	1.2
155.03542	1.2
157.01436	0.6
159.03041	0.3
161.02477	3.5
161.06076	0.3
162.02808	0.2
163.04028	9.1
164.04362	0.4
165.01923	0.9
171.03035	0.4
173.04572	21.0
174.04916	0.9
175.02487	1.7
175.04004	0.4
175.06125	0.2
177.01953	4.5
177.03502	0.2
177.05504	0.2
178.02289	0.2
179.03470	0.8
179.10423	0.2
187.04028	0.2
189.05624	0.3
191.05627	100.0
192.05974	3.9
193.04968	0.2
205.05063	0.2
206.02188	0.7
209.01025	0.3
219.02980	0.4
233.02295	0.3
233.04555	3.3
234.04839	0.2
237.04086	0.5
265.08704	0.2
277.03537	8.3
278.03857	0.5
293.06577	0.2
296.38846	0.2
319.04633	3.3
320.04947	0.3
327.08643	1.0
335.07758	0.2
337.05768	2.8
337.09296	43.5
338.05811	0.3
338.09662	4.1
501.14075	0.2
514.39545	0.2
575.85144	0.2
675.19525	1.8
676.19983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45306	0.1
52.02662	0.2
59.01374	0.6
60.99294	0.2
67.01890	0.5
69.03459	0.2
69.50028	0.6
69.50455	0.9
71.01389	0.4
72.89412	0.1
85.02957	5.1
86.03285	0.1
87.00883	0.9
93.03468	3.2
99.04544	0.2
100.24115	0.1
109.02972	0.4
111.04527	0.7
119.04993	0.7
121.23956	0.1
127.04028	1.4
128.04399	0.1
134.72974	0.1
145.02974	0.7
155.03528	0.2
163.04041	1.4
171.03029	0.2
171.72823	0.2
173.04559	1.6
181.82538	0.2
191.05627	100.0
192.05965	4.6
216.63229	0.2
221.44679	0.1
227.83177	0.1
337.09299	25.1
338.09589	3.1
390.38193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01370	1.7
60.99297	1.0
66.24314	0.3
67.01893	5.4
69.03461	0.9
70.51900	0.8
70.52267	0.7
71.01394	3.6
73.04659	0.3
81.03458	0.9
83.05019	0.7
84.94115	0.4
85.02960	4.8
87.00888	3.6
93.03471	32.7
94.03822	1.1
95.01392	0.3
96.96015	0.5
99.00905	0.4
99.04554	0.6
105.46288	0.4
109.02963	0.9
111.00916	0.5
111.04539	6.0
112.70952	0.4
119.05045	18.2
120.05382	1.1
127.04012	1.8
129.02005	0.4
137.02466	3.0
145.02977	1.6
155.03520	4.5
163.04033	16.6
164.04369	1.0
173.04575	100.0
174.04916	4.7
177.30534	0.4
191.05632	78.7
192.06003	3.6
269.01431	0.4
298.17630	0.4
327.08603	1.2
328.09088	0.4
337.09314	51.8
338.09674	5.9
349.71683	0.5
406.52869	0.4
495.78766	0.4
535.84180	0.4
540.62592	0.4
612.14990	0.8
675.19574	2.6
676.20728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91571	0.9
55.89988	0.9
57.03450	2.2
58.40512	0.9
59.01384	9.3
61.98824	3.2
63.62844	0.9
67.01889	2.1
69.62752	7.5
70.05101	1.0
71.01391	8.9
73.02959	2.8
80.02668	2.0
81.03464	3.3
83.01379	2.2
83.05039	6.4
84.02158	2.0
85.02966	5.7
87.00891	3.9
89.02451	4.2
93.03008	1.2
93.03486	12.2
94.03791	1.5
97.06617	1.5
99.00878	1.4
101.02462	8.1
109.02985	2.3
109.06596	3.7
111.04537	4.9
111.08202	1.7
113.02458	3.3
119.03547	1.8
123.04574	1.3
125.02444	5.3
127.03999	2.0
133.03000	6.5
133.05092	1.4
135.04561	7.2
135.08177	1.5
136.04857	1.2
137.02451	4.7
145.05122	1.5
151.00368	2.8
155.03523	2.5
161.02495	1.3
161.04581	1.9
163.11324	7.4
165.12857	10.1
171.10323	5.0
173.04584	19.3
174.04895	2.8
177.01974	2.1
178.02725	3.2
178.99902	1.2
179.03493	4.3
179.05579	1.1
183.13931	93.9
184.14305	5.5
191.05647	34.2
192.05946	2.9
197.11853	1.9
197.15529	1.3
199.13429	3.0
207.10315	7.0
208.10513	1.3
209.11855	100.0
210.12183	9.0
211.13567	7.9
219.02988	1.1
225.11311	7.5
227.12939	22.4
228.13162	2.3
235.08192	5.0
253.09270	8.2
271.02399	1.9
299.01987	1.8
300.02591	3.0
301.03336	2.9
313.03494	1.5
352.07697	1.3
401.22913	1.5
445.07788	1.2
445.20602	3.4
447.09125	3.8
463.21783	5.3
499.42963	1.0
629.39740	1.8
637.31805	2.6
655.33032	4.0
673.34686	77.1
674.35059	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	673.3831
Annotation	TRICHODEPSIPEPTIDE B
Peak:m/z	Relative Intensity
57.03448	1.5
59.01383	2.0
59.01617	0.3
60.53560	0.3
61.50137	0.4
61.69262	0.3
61.98830	4.1
69.28553	0.3
71.01368	1.1
71.19263	0.7
73.02940	0.4
81.03513	0.3
83.01362	0.8
85.02957	1.1
87.00879	1.0
87.04524	0.3
89.02467	0.3
93.03446	0.9
96.96038	0.7
96.97024	0.3
97.02960	0.4
97.06575	0.4
98.66753	0.3
99.04514	0.6
101.02446	0.7
107.05068	0.5
108.02150	0.4
109.03003	1.4
109.06606	0.3
109.23820	0.3
111.04534	1.0
113.02473	1.0
121.02990	0.3
121.06627	1.6
122.03735	0.9
123.04533	1.2
123.08183	0.8
125.02454	2.1
135.04558	2.2
135.08119	0.4
136.05322	33.0
137.02443	1.2
137.05556	1.5
137.09721	0.7
143.10826	0.4
145.03082	0.3
147.08183	1.3
148.05289	0.9
149.02478	0.3
149.06108	5.4
150.03197	0.4
150.06888	3.7
151.07625	0.3
155.03471	0.3
155.10696	0.4
157.12379	0.5
161.02455	0.9
162.06889	1.5
163.07668	1.7
164.04805	0.3
164.08412	2.7
165.01939	0.4
165.09233	25.9
166.09544	1.4
173.04539	1.3
175.04001	0.3
179.03479	0.7
179.07118	0.5
191.05617	2.5
201.11325	0.3
206.84146	0.3
209.11900	3.7
210.12221	0.5
227.03381	0.4
227.12909	0.6
245.08232	0.3
253.09138	0.3
261.18607	0.6
272.09363	0.7
289.07147	2.3
301.20401	0.4
307.19043	0.8
345.22781	5.8
346.23187	0.8
364.50513	0.3
385.97229	0.4
447.31421	0.9
449.31903	0.5
450.29929	1.1
463.30447	0.4
464.31323	0.5
465.32211	11.0
466.32544	1.6
492.30917	1.0
493.31500	3.0
501.08121	0.5
510.31924	2.6
511.32693	28.0
512.33093	4.1
552.31989	0.3
610.12201	0.6
611.12592	0.6
673.38263	100.0
674.38599	20.2
674.50366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.2
57.03470	0.1
58.00612	0.1
59.01380	1.6
66.70140	0.1
69.03476	0.1
71.01387	1.7
71.01761	0.1
71.18424	0.1
71.18726	0.1
73.02966	0.4
78.98412	0.1
80.02688	1.0
81.03471	1.1
83.01425	0.3
83.05038	4.3
84.02171	0.7
84.05392	0.1
85.02964	0.5
87.00911	0.4
89.02451	0.9
93.03471	0.2
94.59229	0.1
95.01404	0.1
95.05036	0.5
97.02965	0.1
97.06593	0.2
101.02464	1.5
101.03079	0.1
109.06628	0.3
111.08192	0.1
113.02471	0.7
119.03541	0.3
124.32558	0.1
125.06113	0.5
125.09744	0.3
127.11345	0.1
133.05080	0.1
135.08157	0.5
143.03580	0.2
145.05116	0.3
147.11848	0.2
149.09729	0.1
161.04601	0.7
163.11319	3.4
164.11624	0.2
165.12868	2.3
166.13322	0.1
171.10294	1.8
173.09718	0.1
179.05626	0.2
181.12360	0.5
185.11897	0.1
191.10841	1.0
199.13411	0.1
207.10315	0.1
209.11848	100.0
210.12178	7.6
210.15157	0.1
221.11884	0.2
223.13266	0.1
227.12901	13.2
228.13171	1.0
235.08253	1.5
236.08516	0.1
237.15146	0.1
247.13425	0.9
253.09288	5.8
254.09613	0.4
265.14581	0.2
375.21875	0.1
401.23221	0.2
419.24466	0.3
437.25238	0.1
445.20825	1.0
446.21228	0.1
463.21976	0.1
484.43802	0.1
497.87476	0.1
567.74951	0.1
593.29529	0.1
611.31323	0.2
637.32288	0.5
638.32355	0.2
655.33417	0.3
656.33289	0.1
673.34473	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40245	0.8
56.68645	0.7
59.01379	8.8
61.98821	2.0
65.00330	2.7
67.01882	1.8
68.99810	1.1
70.33751	2.9
71.01386	7.4
73.02946	1.1
81.03474	1.5
83.01409	1.6
83.05006	4.3
85.02956	5.5
87.00874	5.7
89.02464	3.6
92.99840	0.8
93.03472	10.3
94.03811	0.9
95.01411	1.0
95.05026	0.9
97.02961	2.7
99.00894	1.8
101.01886	0.9
101.02446	5.1
102.54696	0.8
106.04244	1.1
108.02191	2.8
109.02970	2.3
109.06599	7.1
110.06964	1.9
111.04549	2.4
113.02454	2.7
119.03539	1.2
120.99311	1.8
121.02934	1.1
123.04542	1.7
125.02460	4.6
127.04014	0.9
132.02197	10.3
133.02986	7.8
134.03714	2.5
135.00876	1.5
135.04550	5.8
135.08142	1.4
136.98804	2.7
137.02463	3.9
145.02965	1.2
147.04543	8.6
151.00406	2.1
151.04008	1.1
155.03482	1.7
158.03737	1.2
159.04547	1.6
161.02429	3.1
161.04553	0.8
161.09793	1.1
163.00420	4.3
163.11310	6.4
164.11641	2.4
164.98289	2.0
165.01868	0.8
165.12894	1.3
169.02982	1.0
171.10252	3.7
172.50566	0.9
173.02391	1.9
173.04579	16.3
174.03241	3.0
174.04796	1.5
175.03947	1.2
176.01140	2.5
177.01909	3.2
178.02696	3.2
179.03493	3.6
181.12349	2.2
182.03705	0.8
185.02414	1.3
185.11864	1.7
186.03111	1.2
187.00380	2.3
187.03964	0.9
189.01993	1.4
189.99101	1.8
191.03543	6.3
191.05612	31.7
191.07355	1.6
192.05974	2.4
195.13948	1.4
197.02370	1.8
197.11806	2.4
197.15495	29.2
198.03256	3.0
198.15749	2.4
199.04063	1.1
199.09599	0.9
199.13457	1.4
200.04825	1.6
201.01874	2.0
202.02689	2.4
205.01373	1.5
205.15985	1.5
207.10304	16.5
208.10602	9.5
209.11877	45.1
210.12173	14.6
211.04147	1.2
211.12006	1.0
211.13324	4.7
212.04703	1.0
213.01976	1.9
214.02690	2.3
214.60022	0.7
215.03487	1.9
217.05019	2.5
219.02882	1.3
221.15427	2.8
225.02019	0.8
225.11365	12.0
226.02682	4.5
226.11642	5.8
227.03426	1.8
227.12962	8.5
228.04111	1.4
228.13150	2.0
229.01402	1.5
229.13550	1.1
230.02130	1.7
233.15430	3.7
235.03993	1.0
235.08049	1.8
239.03481	1.0
240.04243	1.0
241.01419	2.6
241.05014	2.0
242.02194	3.3
243.02969	1.2
245.15459	3.3
251.03523	2.8
253.01363	2.0
253.09314	4.9
254.09393	1.0
255.02966	3.5
256.03708	2.5
257.15359	1.2
267.02997	2.1
268.03705	1.2
269.00845	7.3
269.03638	1.4
270.01691	8.0
271.02368	4.3
273.15048	7.6
275.16565	1.6
279.02942	2.7
280.03610	1.1
281.00946	1.0
281.04657	1.2
282.01559	4.3
283.02374	5.0
284.03256	2.7
285.00842	1.3
285.04031	26.1
286.04355	2.2
289.07245	1.4
295.02560	4.8
295.05563	1.0
296.02902	1.2
297.00378	9.7
297.04007	2.8
298.01050	3.0
298.04605	1.3
299.02008	1.2
299.16479	1.0
300.02707	2.3
301.03445	2.1
301.14554	6.0
306.05072	1.4
309.03879	2.2
311.01904	2.7
312.02820	8.2
313.03531	100.0
314.03909	10.5
315.05161	2.7
315.15958	2.0
323.02213	4.7
323.05670	1.6
324.02811	6.3
327.05127	3.0
335.05548	1.3
337.03564	1.8
338.04297	11.8
339.05069	9.2
340.05630	0.9
343.15546	8.4
349.06940	1.5
351.01239	1.1
355.04611	4.2
361.07254	1.1
366.03647	2.9
367.04446	1.2
400.22220	1.3
401.22934	1.0
418.22940	1.5
434.17102	1.3
447.09229	2.1
447.17950	3.4
449.19635	3.4
460.06076	0.8
460.15137	2.2
461.20505	2.9
462.20950	1.6
463.20621	2.7
465.19183	11.7
466.19489	1.4
467.20691	0.9
475.08762	62.0
475.17514	16.1
476.09180	9.1
476.17676	1.8
477.19312	4.1
493.18674	42.5
494.19083	7.2
629.39374	1.5
636.31158	1.6
637.31720	3.7
641.32257	1.2
654.32074	3.0
655.32751	6.3
672.33185	4.3
673.23932	1.6
673.33820	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	673.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.0
59.01369	2.9
60.93147	0.6
61.98824	2.1
63.02399	3.4
65.00329	6.9
69.60429	2.1
69.60859	3.4
71.01390	3.7
75.45427	0.6
78.95914	1.8
81.03476	0.8
83.01400	4.6
83.05067	0.7
85.02945	0.7
89.02458	1.9
93.03467	1.5
95.01379	1.5
97.02955	0.9
101.02448	2.0
107.01411	12.2
109.02966	2.1
109.06618	1.0
110.00068	0.8
110.50824	0.6
111.00883	2.0
111.04549	1.0
113.02439	1.0
123.00888	2.0
123.04533	0.7
124.00832	0.9
124.01689	13.6
125.02495	6.8
126.03764	0.6
129.97336	0.7
133.02972	1.7
135.04509	1.8
137.02434	1.6
139.00369	2.6
141.01958	2.2
145.02962	1.5
148.01740	0.9
151.00400	41.9
152.01181	66.1
153.01605	2.5
161.02446	6.3
162.03246	4.3
163.00301	1.2
163.04021	5.2
163.11243	0.9
164.01143	0.7
165.01807	0.8
169.01433	5.2
171.10262	2.7
173.02399	1.9
173.04588	1.6
175.03955	1.0
178.99886	60.3
180.00256	3.3
182.97270	0.6
188.04723	0.7
189.01970	3.5
190.02704	1.8
191.03481	4.9
191.05594	2.5
192.00639	1.4
193.01440	1.4
197.11853	9.3
207.02960	0.8
207.10284	1.8
209.11852	12.2
210.12216	1.2
211.13458	5.2
217.01460	2.5
223.13347	0.8
225.11406	1.1
227.03419	1.3
227.12973	3.5
235.08278	0.9
238.08623	0.8
239.03630	1.2
241.04947	0.8
243.02992	1.1
253.09256	2.1
255.39851	0.8
256.09769	4.9
260.30972	0.7
267.03058	1.2
269.04544	1.7
271.02444	5.6
281.04617	1.4
285.04050	4.7
295.02533	2.4
296.03284	4.1
297.04071	8.3
298.04535	1.1
299.01990	6.4
300.02713	4.8
303.19824	1.0
313.03372	1.3
314.04300	13.4
315.05002	2.4
324.02859	3.3
325.03555	4.7
329.17642	0.8
330.18433	1.8
331.15616	0.7
331.19019	3.3
342.03806	1.9
343.04547	5.8
348.02548	0.7
357.17010	5.4
447.18002	1.7
448.18655	0.9
464.18185	1.0
465.19012	3.1
475.17377	1.7
482.19403	1.6
483.13788	1.2
483.20193	10.0
484.20532	1.9
492.17493	0.9
493.17987	3.3
505.09897	45.2
506.10382	7.8
645.25647	100.0
646.26111	22.6
646.37207	0.5
655.23633	4.5
656.24408	0.9
673.24988	16.5
673.34491	1.5
674.24719	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	673.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
59.01376	2.6
60.86985	0.7
61.98820	1.5
63.02396	3.0
65.00325	7.2
68.99787	0.9
71.01388	8.4
71.25504	0.8
71.25817	1.3
76.86742	0.8
78.95934	1.8
81.03477	0.9
83.01401	5.8
83.05042	1.3
85.02964	1.6
87.00890	1.0
89.02422	1.9
93.03461	1.6
95.01406	1.8
97.02955	1.2
101.02446	1.4
102.03198	0.7
107.01399	11.9
109.02963	0.8
109.06583	1.7
111.00886	2.5
111.74999	0.7
113.02464	1.3
123.00871	2.5
124.01689	15.1
124.02583	0.7
125.02481	7.6
133.03006	1.9
135.04507	2.2
137.02457	0.9
139.00383	2.7
141.01895	1.9
145.02985	1.3
151.00406	44.2
151.11380	0.9
152.01190	69.2
153.01598	3.0
161.02481	6.4
162.03300	4.2
163.00374	1.2
163.04034	5.9
163.11310	1.0
165.01854	0.7
165.12894	0.9
169.01485	6.4
171.10252	2.1
173.02470	1.5
173.04524	2.0
175.04080	1.2
177.01920	1.0
178.99886	55.3
180.00206	2.7
181.12433	1.0
183.13934	1.1
189.01903	3.1
190.02725	1.8
190.99873	0.8
191.03510	6.7
191.05602	2.9
192.00624	2.0
193.01306	1.5
197.11832	0.9
199.04149	0.7
199.13417	3.7
207.10249	5.3
209.11850	20.5
210.12122	1.2
211.03949	1.0
211.13440	11.0
212.13625	1.0
214.02635	0.7
217.01382	2.9
225.05441	1.0
225.11325	3.5
226.11435	1.0
227.03566	1.5
227.12857	8.8
235.08147	1.0
239.03575	1.3
240.04236	0.9
241.05086	1.2
243.02818	1.8
253.05043	1.0
253.09248	2.8
255.03207	1.0
257.04648	1.2
267.02823	1.5
269.04477	1.7
271.02518	4.5
271.05478	0.8
279.03101	0.9
281.04510	1.2
285.04004	3.1
295.02481	1.6
296.03204	3.1
297.04016	9.3
299.01953	7.3
300.02679	6.3
301.17892	1.1
311.01904	0.8
313.03348	1.4
314.04333	13.0
315.05017	2.0
324.02716	3.2
325.03549	4.5
327.01294	1.0
331.19186	2.9
332.19852	0.8
342.04059	1.3
343.04538	6.2
348.02661	1.2
357.17014	4.5
358.17264	1.2
369.67010	0.9
447.17999	1.3
463.21869	0.9
465.14923	1.6
465.20096	1.0
475.17807	3.0
482.18887	1.1
483.20288	11.4
484.20386	1.4
505.09875	48.9
506.10144	7.7
520.73651	0.9
637.32013	1.2
645.25635	100.0
646.25970	22.7
646.34198	0.6
655.24072	4.0
655.32880	1.2
673.25067	12.7
673.35004	1.6
674.25452	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	673.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.8
59.01371	3.2
59.06193	1.2
61.98832	5.1
63.02398	2.4
65.00339	5.9
67.96906	1.5
71.01380	5.3
78.95919	10.3
83.01401	5.0
83.05015	1.6
93.03465	3.2
95.01415	2.2
101.02455	1.7
106.88729	1.2
107.01418	10.8
109.02967	2.0
111.00897	3.5
123.00892	3.4
124.01688	13.2
125.02486	8.5
135.04547	2.8
139.00377	3.8
151.00397	39.3
152.01183	64.1
152.99588	5.0
153.01619	2.1
161.02469	4.9
162.03249	4.6
163.00453	1.7
163.04024	4.6
169.01430	4.7
171.10281	5.9
173.02383	1.6
178.99890	57.3
180.00214	2.8
189.01901	4.1
190.02686	1.5
191.03510	6.0
191.05634	5.6
192.00697	1.7
194.01419	1.7
199.04196	1.6
207.10228	3.7
209.11859	17.8
210.12102	2.0
211.13365	10.5
217.01465	2.7
223.13481	3.6
225.11417	2.4
227.12965	7.0
240.04274	1.6
255.02812	2.1
271.02380	4.1
285.04120	3.8
296.03241	3.3
297.03949	7.1
299.02182	7.3
300.02667	5.3
313.03644	2.4
314.04263	13.9
315.04816	2.3
324.02762	3.0
325.03577	6.4
331.19159	3.0
343.04675	5.8
357.17108	5.4
465.19095	2.7
466.16095	2.4
467.17300	4.6
475.17981	2.2
479.17157	7.2
482.19574	2.2
483.20279	10.2
505.09943	47.4
506.10184	8.5
527.88562	1.5
536.20490	1.8
629.22839	2.7
645.25647	100.0
646.26099	20.2
655.23749	3.1
673.23285	17.0
673.34711	3.6
674.23712	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	673.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36511	0.6
59.01459	3.0
60.60573	0.6
61.98915	4.8
63.02475	2.1
65.00410	5.5
71.01475	1.9
71.69754	0.9
74.39328	0.6
78.96010	4.1
83.01498	2.7
89.02547	0.8
93.03542	0.8
96.05366	0.7
101.02562	0.7
107.01424	8.7
109.03003	0.7
124.01785	1.0
125.02483	5.7
125.09821	0.7
135.04672	0.7
137.02538	0.7
149.02565	0.7
151.00401	26.8
152.01218	1.5
152.99767	2.1
161.02583	1.0
162.03378	0.9
163.00529	1.0
165.02098	2.0
169.01453	8.0
171.10358	0.7
173.04662	1.0
178.99890	10.4
183.04630	0.7
184.77701	0.6
187.04175	1.0
189.02097	0.9
191.00211	0.7
191.05794	1.9
193.01550	0.8
198.03386	1.1
199.04193	1.0
203.03644	1.8
207.10402	1.2
209.11906	6.2
211.04184	1.0
211.13478	3.6
213.02068	0.8
225.11470	1.1
227.03680	2.3
227.13029	1.3
228.04355	1.9
231.02965	1.1
239.03749	0.9
240.04442	1.2
241.05176	1.1
243.03062	1.7
251.03545	0.9
253.09286	0.7
254.02286	1.1
255.02979	3.8
256.03821	2.5
267.02994	1.1
268.04028	0.8
268.07910	0.7
270.05447	0.8
271.02582	3.4
279.03210	1.3
280.03781	1.5
281.04642	1.2
282.01859	3.0
283.02557	2.0
284.03455	2.2
285.15024	1.5
294.99561	0.9
295.02707	1.7
296.03381	2.0
297.04175	1.4
298.05017	1.8
299.02081	3.4
299.13037	1.7
300.02664	3.2
301.03461	1.6
303.15955	0.8
310.01129	3.9
311.01996	6.8
311.12994	0.7
312.02582	1.0
313.14481	3.7
322.04919	3.0
324.02817	6.6
325.03387	1.5
327.01483	45.5
328.01697	3.9
331.15463	5.1
339.12585	2.8
340.12726	0.8
352.02322	6.2
353.03149	3.3
355.15454	4.4
359.18713	1.0
361.14133	0.9
369.17166	1.1
379.15610	3.1
380.15903	1.1
395.15250	1.3
397.16556	7.4
421.16504	4.3
423.14529	0.9
437.16116	4.3
447.14337	1.5
465.15536	100.0
466.15881	15.5
493.18649	2.4
511.19678	1.3
547.22424	0.8
610.32257	1.1
673.21625	25.6
673.33173	1.1
674.21869	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	673.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84829	0.4
57.03464	0.7
57.37905	0.4
59.01387	2.5
61.98853	0.7
62.72790	0.3
63.02401	2.3
63.73483	0.4
65.00317	4.9
70.85019	1.1
71.01385	1.0
76.19933	0.3
78.95911	4.7
81.03497	0.4
83.01390	3.8
89.02444	0.5
93.03503	1.0
101.02478	0.5
107.01410	7.6
109.02970	0.7
109.06633	0.5
113.09773	0.3
121.02977	0.6
124.01699	0.9
125.02449	5.2
133.03000	0.4
135.00870	0.5
137.02483	0.4
146.07062	0.4
151.00398	29.5
151.93011	0.4
152.01161	2.3
152.99628	2.1
161.02490	1.0
163.00415	2.1
165.01968	2.9
166.02644	0.6
169.01453	7.8
175.00420	0.8
177.01826	0.5
178.99879	13.4
180.00223	0.8
183.04552	0.6
187.04030	0.5
189.02029	0.6
191.05673	0.6
193.01411	0.9
195.04520	0.6
198.03418	0.5
199.03996	1.1
201.01865	0.7
203.03555	1.2
204.04309	0.5
207.10316	0.9
209.11841	2.3
211.04065	1.1
213.05573	0.4
214.02809	0.4
215.03500	0.7
217.01410	0.6
217.05011	0.8
223.22595	0.4
225.11299	0.6
226.02756	0.9
227.03510	3.3
228.04248	1.6
239.03445	0.5
240.04204	1.3
241.05106	1.4
242.05792	0.4
243.03035	1.6
251.25734	0.4
252.04370	1.1
254.02173	0.9
255.02959	3.5
256.03680	3.2
257.01184	0.5
257.04123	0.7
259.02551	0.6
267.02927	0.9
268.03625	1.0
269.04388	0.7
270.05426	0.5
271.02454	4.9
272.03244	0.6
277.21637	0.5
279.03165	0.8
280.03674	2.2
281.00986	0.5
281.04269	0.7
282.01648	2.6
283.02435	2.1
284.03275	2.6
293.04764	0.6
295.02408	1.2
296.03268	1.3
297.04150	0.7
298.01523	0.7
298.04803	2.1
299.01923	2.5
300.02762	5.5
301.03488	3.0
303.19440	0.6
310.01190	3.3
311.01993	7.3
311.22394	0.5
312.02499	1.1
313.18124	1.8
322.04739	3.1
323.16495	0.9
324.02759	4.7
325.03369	1.3
327.01471	52.6
327.16208	2.2
328.01837	5.8
329.17422	0.6
330.18155	0.6
331.19064	1.4
339.16049	0.5
340.16440	0.5
341.17508	3.6
343.19025	0.5
352.02222	5.6
353.02847	2.4
357.78342	0.5
359.18643	5.8
360.19092	0.7
361.10944	0.7
362.04126	0.5
366.04004	0.7
367.15494	2.9
381.17319	0.7
383.18790	4.2
384.18976	0.6
397.20206	1.2
407.18524	3.9
408.18857	0.8
421.20193	1.1
423.18134	2.3
425.19711	6.7
426.20142	0.9
449.19656	4.5
450.19815	1.1
451.17755	1.4
465.19131	4.8
466.19458	0.9
475.17493	1.5
493.18680	100.0
494.18982	16.2
494.25107	0.3
511.19641	1.3
519.11224	0.5
645.26184	1.2
673.25134	40.4
674.25366	9.5
674.35486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.18
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37761	0.2
56.41192	0.2
57.03437	0.7
59.01377	1.6
60.99310	0.5
62.05962	0.2
65.03971	0.2
67.01896	3.8
69.03454	0.7
71.01391	3.1
71.71133	0.3
75.00870	0.2
81.03466	1.1
83.01424	0.2
83.05032	1.7
85.02950	1.5
87.00878	0.8
88.98811	0.2
93.03471	31.4
94.03800	1.0
94.40012	0.2
95.01385	0.4
96.96014	0.3
99.04507	0.3
108.02174	0.3
109.02946	1.6
111.00900	0.8
111.04537	8.3
114.36024	0.2
114.41145	0.2
115.00419	0.3
116.50455	0.2
119.05042	11.9
120.05399	0.5
121.02956	0.3
123.04569	0.2
125.02470	1.0
127.04019	0.5
133.02991	3.0
134.03769	1.0
135.04547	17.9
136.04874	1.0
137.02461	6.4
138.02800	0.3
147.04510	0.4
151.00392	0.2
155.03531	6.4
156.03816	0.3
161.02470	10.3
161.08192	0.5
162.02783	0.5
162.32050	0.2
163.04033	17.4
164.04355	1.0
173.04570	100.0
174.04901	4.4
177.01949	0.3
178.02800	0.3
179.03514	21.2
180.03842	1.1
191.05638	8.0
192.06003	0.5
226.06256	0.3
255.06601	0.2
255.10265	0.9
271.02481	0.4
272.02652	0.3
291.08850	0.7
299.01996	0.4
300.02332	0.7
301.03375	0.6
302.03790	0.6
306.99051	0.2
335.07721	20.3
336.08102	2.0
337.09296	34.8
338.09689	3.2
343.07996	0.4
353.08344	0.4
463.08383	0.4
499.12476	0.3
517.13251	0.4
610.15100	1.7
611.15607	0.3
673.18219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
61.98513	0.6
61.98835	10.7
65.00350	0.4
67.01918	0.5
71.01384	1.1
83.01395	0.5
83.05021	0.5
85.02982	0.6
87.00905	0.4
93.03471	5.0
98.20622	0.9
107.01414	1.2
109.02966	1.6
111.04543	2.0
115.00386	0.7
116.69417	0.3
119.05048	1.8
121.02983	0.7
132.63370	0.3
133.02960	1.7
135.04546	4.8
137.02470	1.4
147.00879	0.3
149.02451	0.4
151.00404	6.3
155.03487	1.0
161.02443	3.9
163.00357	0.5
163.04054	1.7
169.01431	0.3
173.04582	10.4
175.00369	1.4
175.03925	0.5
178.99933	1.7
179.03514	5.6
183.04489	0.4
186.92223	0.3
187.04132	0.4
191.05627	7.5
192.00699	0.3
192.05740	0.3
193.01428	0.4
199.04021	1.4
199.72871	0.3
201.01959	0.5
215.03519	0.9
220.37175	0.3
226.02791	0.4
227.03540	1.8
229.05025	0.4
230.48874	0.3
243.02965	2.2
254.02269	0.6
255.02995	1.9
255.10300	0.6
271.02472	29.3
272.02826	2.8
285.04074	0.4
297.04077	0.4
299.01987	61.3
300.02588	12.8
301.03546	52.6
302.03903	4.8
313.03583	0.9
335.07736	4.8
336.07928	0.5
337.09299	4.7
343.04749	1.5
447.09332	5.5
448.09790	0.6
462.08072	16.8
463.08731	8.9
464.09030	1.1
483.54929	0.3
609.14777	100.0
610.15131	18.1
672.16382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	0.7
65.00328	1.4
83.01404	0.7
84.16222	0.6
98.91660	0.7
103.59695	0.6
107.01435	2.2
109.02997	1.2
121.02930	1.2
121.77822	0.6
130.04207	0.5
131.53116	0.7
137.02299	0.5
148.01756	0.9
151.00392	9.0
153.01997	0.6
163.00417	1.6
178.99890	4.2
191.05791	0.8
192.55794	0.6
224.86317	0.7
226.02791	1.4
227.03488	2.0
242.01775	0.6
243.03012	6.3
245.04568	1.2
254.02242	1.5
255.02988	19.6
255.05664	0.9
256.03381	1.9
257.04510	1.7
271.02478	36.7
272.02945	5.0
273.04019	1.7
283.02423	1.1
299.02014	1.2
300.02762	84.4
301.03458	35.6
302.03845	2.2
343.04578	0.7
359.95541	0.8
447.09454	1.1
596.85913	0.6
609.14777	100.0
610.15100	18.9
668.67841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83305	0.7
57.03460	2.3
59.01389	11.4
59.60320	0.6
61.98836	4.8
62.44008	0.6
67.01910	2.2
69.03474	1.6
71.01390	9.4
71.05076	0.8
71.25808	1.7
73.02956	1.6
75.00928	0.7
78.95906	1.3
79.27485	0.6
80.02694	1.6
80.91620	0.7
81.03064	0.8
81.03465	3.7
82.27628	0.8
83.01388	1.7
83.05037	7.0
84.02192	0.9
85.02961	8.1
85.03368	0.7
87.00885	4.2
88.98837	1.0
89.02451	4.7
93.03476	15.0
95.01423	0.8
95.05070	2.1
97.02969	3.7
97.94740	0.8
99.00927	1.3
99.04571	2.2
101.02457	5.6
106.04298	1.4
109.03020	2.3
109.06618	15.0
111.04534	5.7
113.01809	0.7
113.02461	3.6
119.03531	1.2
121.06622	1.5
123.04582	1.5
125.02507	1.4
125.06133	0.8
125.09734	3.3
127.04060	0.9
133.02963	4.3
134.03773	4.3
135.04576	5.3
135.08228	3.2
136.05348	1.2
137.02463	5.1
137.09798	1.0
139.04123	0.9
142.02768	1.6
145.05116	1.2
145.10240	1.0
149.06096	5.6
150.06894	41.6
151.04044	0.7
151.07451	1.7
155.03595	2.8
159.04620	1.3
161.02431	1.0
161.04562	1.6
161.09798	1.9
162.06865	0.9
162.98979	0.8
163.07693	10.1
163.11317	14.7
164.08446	5.5
164.11690	1.3
165.12886	1.8
171.10327	2.0
173.04584	28.1
176.08530	1.6
177.02031	2.9
177.09218	1.1
178.02718	6.8
178.10069	2.9
178.99986	0.7
179.03529	2.5
179.10800	13.0
180.11148	1.1
181.12427	3.2
185.11935	2.0
189.09323	2.1
191.05643	42.9
191.10776	1.4
199.13478	1.6
200.04825	0.8
201.05626	1.8
201.11420	0.9
207.07420	1.2
207.10292	44.5
208.10738	3.0
209.11853	83.1
210.12190	6.8
211.13318	1.2
221.11844	0.7
225.11333	37.4
226.11832	3.0
227.03616	2.8
227.12921	12.5
228.13329	1.2
229.12466	0.9
235.08316	3.6
243.12401	1.1
247.13455	1.1
249.11398	1.4
253.09294	7.6
263.12708	1.0
265.14474	1.3
283.13486	3.9
301.14578	1.3
327.16333	1.2
327.25720	1.5
329.23392	4.9
373.24011	1.1
399.21902	3.8
402.17252	0.7
405.17914	0.7
417.22623	3.9
430.31036	1.3
435.24020	1.2
443.19580	3.1
445.33328	1.2
448.31955	8.4
449.32605	1.3
461.20206	10.2
462.20911	1.4
462.33682	1.2
463.34323	10.9
464.34964	2.6
490.33411	2.4
491.27206	1.3
491.33954	3.3
508.34076	3.4
509.34854	29.2
510.35309	5.6
544.19727	0.8
563.23114	1.5
585.22992	1.3
627.38434	1.1
635.30762	9.6
636.31628	1.5
653.32043	12.5
654.32745	2.5
671.40857	100.0
672.41370	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	671.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22595	0.3
54.42060	0.3
55.01878	0.6
57.03450	0.7
59.01385	10.0
65.03954	0.3
69.03457	0.6
70.46123	1.2
71.01397	5.4
71.05027	0.4
72.99333	0.3
73.02964	1.4
80.02682	2.2
81.03463	3.3
83.01392	0.9
83.05033	7.8
84.02184	1.2
84.05362	0.4
85.02946	2.0
87.00899	1.2
89.02464	3.7
93.03465	1.7
95.01408	0.7
95.05043	1.5
97.02972	6.8
97.06609	1.0
99.00881	1.4
99.04504	0.3
101.02449	5.6
106.04230	0.3
107.05055	0.7
109.06609	25.0
110.03756	2.0
110.06953	1.3
111.04561	0.8
113.02473	2.7
119.03530	1.0
121.06599	1.8
123.04575	0.6
123.08169	0.8
125.02406	0.5
125.06108	1.1
125.09731	2.9
126.26189	0.3
133.05095	0.3
134.03723	0.3
135.08182	3.5
136.05316	1.3
137.02530	0.4
142.02757	1.7
145.05106	0.8
145.10297	0.8
161.04594	2.0
161.09802	2.1
163.11308	18.7
164.11621	1.4
165.09120	0.3
165.12912	2.7
171.10287	2.2
173.04541	0.4
179.05675	0.8
179.10799	0.7
181.12401	4.1
185.11874	3.0
187.09784	0.6
189.09225	1.3
191.05711	0.4
191.10837	1.2
201.11288	0.6
201.12955	0.5
205.12340	0.4
207.10284	65.3
208.10602	5.0
209.11847	100.0
210.12177	6.8
213.09189	0.4
217.12260	0.7
221.11836	1.3
223.13330	0.7
225.11339	31.8
226.11644	2.3
227.12900	14.5
228.13190	0.7
229.12401	0.5
231.10300	1.5
235.08267	3.4
235.13371	0.6
243.12273	0.7
245.11819	0.6
247.13368	1.3
249.11414	1.6
253.09280	10.6
254.09766	0.6
263.12869	1.3
265.14337	1.2
277.05603	0.3
281.14005	0.8
289.21902	0.3
299.14935	1.1
355.22751	0.8
371.22247	0.4
373.19727	0.4
373.23907	0.9
381.20877	0.7
399.21725	6.4
400.21906	0.4
407.24133	0.5
417.22867	6.4
418.22974	1.3
435.23779	0.6
443.19135	3.4
445.20773	0.6
461.20273	10.7
462.20523	1.3
481.20813	0.6
485.20319	0.7
491.26074	0.4
499.21942	0.4
609.29712	0.6
625.32495	0.7
627.30054	0.6
635.20178	0.7
635.30811	12.5
636.31250	2.5
653.31940	14.2
653.42957	0.8
654.31866	3.0
671.32928	25.4
672.33252	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	671.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31280	0.3
54.76366	0.3
55.01881	0.9
57.03450	0.8
58.00596	0.4
59.01381	9.8
61.98853	0.4
63.65383	0.3
69.03474	0.8
71.01393	7.0
71.02908	0.9
72.99306	0.4
73.02964	1.3
80.02692	2.2
81.03468	3.8
83.01408	0.8
83.05032	7.8
84.02177	1.4
85.02954	2.3
87.00900	1.3
89.02465	4.0
93.03487	1.9
95.01398	0.8
95.05052	1.5
97.02968	5.3
97.06631	0.7
99.00895	1.5
101.02454	5.4
106.04280	0.6
107.05043	0.8
109.02991	0.9
109.06612	21.5
110.03749	1.3
110.06926	0.7
111.00883	0.4
111.04559	0.7
113.02477	2.6
119.03513	0.8
121.03019	0.4
121.06629	1.8
123.04549	0.8
123.08194	0.8
125.02440	0.4
125.06118	0.9
125.09743	2.8
126.16523	0.3
134.03751	0.4
135.04520	0.7
135.08186	3.7
135.50746	0.3
136.05327	1.4
142.02730	1.4
143.03532	0.4
145.05016	0.4
145.10281	0.7
147.03290	0.5
150.72742	0.4
152.03523	0.4
153.12781	0.4
161.04567	1.6
161.09758	1.4
163.11314	16.2
164.11632	1.0
165.09218	0.4
165.12865	2.7
171.10283	3.1
173.04625	0.7
177.02008	0.4
177.12915	0.4
179.10783	0.8
181.12332	4.3
182.12817	0.4
185.11848	2.9
187.09761	0.9
189.09282	1.4
191.05640	1.2
191.10818	1.2
197.11823	0.5
199.13364	0.7
201.11310	0.7
205.12363	0.3
207.10287	58.3
208.10646	3.7
209.11848	100.0
210.12189	6.3
211.13565	0.4
213.09068	0.5
221.11827	1.2
222.00731	0.3
223.13387	0.9
225.11336	31.9
226.11723	1.9
227.12883	13.4
228.13220	0.7
231.10251	1.4
235.08240	3.3
235.13368	0.8
237.14995	0.5
243.12433	1.0
245.11807	0.9
247.13365	1.0
249.11319	1.3
251.12929	0.4
252.06680	1.2
253.09305	9.0
253.79529	0.4
256.09744	1.7
263.12936	1.3
265.14456	1.2
299.15042	0.9
355.22736	0.4
371.22235	0.3
373.19800	0.5
373.23953	0.7
373.76334	0.4
381.20892	0.5
399.21774	4.9
400.22003	1.0
405.17410	0.5
417.22876	4.9
418.23346	0.5
435.23804	0.9
443.19247	3.8
444.19165	0.4
445.20773	0.8
461.14136	0.6
461.20331	10.3
462.20389	0.8
485.20700	0.5
491.26538	0.4
609.29498	0.4
625.31537	0.4
627.29565	0.7
635.30817	10.5
636.31091	2.1
653.31897	14.3
654.32416	3.0
671.32971	25.9
672.33167	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	671.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01383	1.4
61.98827	2.0
63.02396	3.2
65.00327	6.2
69.93479	3.3
70.11053	0.6
71.01373	0.9
78.95908	4.6
80.49620	0.6
83.01410	4.7
89.02470	0.7
93.03442	0.9
95.01406	1.0
97.02964	1.0
107.01409	10.1
109.03004	0.8
109.06600	1.8
111.00895	1.3
123.00917	1.5
124.01685	9.2
125.02476	8.0
133.02977	1.3
135.04512	2.7
139.00412	1.6
141.01936	1.1
145.02989	1.1
151.00401	35.1
152.01184	46.3
152.99626	1.6
153.01755	2.0
161.02483	7.2
162.03242	2.7
163.04031	7.6
163.11256	1.2
164.04524	0.9
169.01453	5.6
171.10451	0.6
173.02402	0.8
173.04536	0.8
175.04086	1.1
178.99895	39.7
179.68243	0.7
180.00227	1.5
189.01985	3.9
191.03496	3.1
192.00656	2.5
193.01482	1.5
196.70299	0.6
207.10277	5.3
209.11835	8.5
210.12134	1.0
217.01518	0.9
219.97003	0.6
225.11353	3.3
227.03482	1.2
227.12875	1.6
243.02992	1.0
252.83170	0.8
253.09319	1.0
255.03008	0.8
256.03705	0.8
269.04840	0.9
271.02567	2.3
271.06253	0.6
272.03033	0.6
285.04114	1.4
295.02316	1.7
296.03174	4.0
297.04022	6.6
299.01913	4.2
300.02692	6.1
301.03384	0.7
313.03680	0.8
314.04355	6.3
315.05045	2.0
317.21313	1.7
324.02698	0.8
325.03482	2.8
325.18079	0.8
342.03723	0.9
343.04709	3.5
344.19720	0.7
345.20670	4.1
346.21201	0.7
371.18726	8.5
372.19046	1.3
383.98260	0.6
389.20001	0.8
443.18723	0.8
461.19992	1.6
479.20724	2.6
489.10416	17.5
489.18680	1.5
490.10773	2.9
496.21017	1.1
497.21835	12.4
498.22052	2.9
506.60928	0.6
507.20166	1.4
635.30719	0.9
643.27734	100.0
644.28015	22.3
653.24908	3.4
671.27344	8.3
672.27686	2.5
699.99292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
61.98834	7.2
63.02394	3.1
65.00330	5.8
71.01366	1.6
71.69819	1.3
78.95898	3.4
83.01388	4.3
83.05032	2.2
83.31944	1.0
93.03461	1.4
95.01382	1.7
99.80968	1.0
107.01399	10.8
107.09367	1.1
109.06636	3.4
111.00893	1.5
114.71629	1.0
123.00864	1.5
124.01674	8.5
125.02485	7.4
131.40527	1.0
133.81410	1.2
135.04530	1.7
141.01947	1.4
145.02950	1.5
147.88559	1.0
151.00395	36.6
152.01186	43.4
153.01840	1.8
161.02429	7.4
162.03201	3.2
163.03989	6.4
163.11261	2.6
169.01422	6.1
173.02394	1.5
178.99878	36.0
180.00218	1.8
180.87227	1.1
189.01944	2.6
191.03450	2.5
191.05641	1.0
192.00650	1.8
193.01402	1.2
207.10262	8.2
209.11861	18.0
211.13344	1.1
217.01402	1.6
219.03006	1.2
225.11351	7.3
227.03493	1.4
227.12880	2.7
243.02800	1.2
253.09314	1.8
256.03738	1.8
271.02423	4.0
272.03391	1.2
285.04099	2.6
296.03162	1.7
297.04132	7.6
299.01837	5.7
300.02783	6.4
313.03546	1.2
314.04431	6.4
315.04865	1.3
325.03494	2.1
342.03662	1.5
343.04605	2.8
345.20813	4.5
348.02774	1.6
371.18683	8.8
479.20938	1.9
489.10367	16.5
489.18008	2.3
490.10931	2.0
493.25739	1.2
496.20810	1.4
497.21854	11.3
498.22034	2.3
509.27414	1.5
635.31500	1.8
643.27777	100.0
644.28204	22.5
653.25336	2.2
671.24060	6.8
671.34338	2.1
672.26111	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	671.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01368	0.9
60.78189	0.5
61.98829	1.6
63.02388	3.1
65.00334	6.8
71.71900	1.1
78.95899	1.4
83.01402	3.6
86.06327	0.5
94.35255	0.4
95.01382	0.9
96.30051	0.5
107.01409	10.9
107.05029	0.7
111.00901	1.6
117.03505	0.9
119.05170	0.6
123.00900	1.7
124.01691	10.7
125.02496	7.2
135.04555	2.5
139.00395	1.7
141.01912	1.3
145.02945	1.4
151.00397	39.1
152.01186	46.0
152.99611	0.7
153.01823	2.5
161.02477	6.5
162.03313	2.5
163.00397	0.8
163.04028	7.6
164.01169	0.8
169.01454	5.7
173.02388	0.8
173.04597	0.6
173.85370	0.5
175.04004	1.1
178.99896	38.8
180.00247	1.8
189.01991	4.0
190.02673	1.0
191.03493	2.9
191.05302	0.6
192.00668	2.0
193.01437	1.0
199.03992	0.6
203.03595	0.7
207.03023	1.2
207.10330	1.2
209.11847	1.9
211.03830	0.6
212.04663	0.5
217.01414	1.7
225.11394	1.1
227.03511	1.6
239.03569	0.6
241.05333	0.8
243.02989	1.3
257.04492	0.7
269.04514	0.8
271.02554	4.0
271.05203	0.8
272.03024	0.7
285.04044	1.9
295.02560	1.2
296.03317	3.5
297.04034	7.3
299.01978	3.9
300.02759	6.4
301.03256	1.0
313.03473	0.9
314.04321	6.7
315.04984	1.5
317.21237	1.3
324.02795	1.1
325.03558	2.8
327.19397	0.7
342.03687	0.6
343.04538	4.3
343.19138	1.0
344.20117	0.8
345.20679	4.7
348.02893	0.7
371.18701	7.5
372.19022	1.4
447.94379	0.5
461.19888	0.8
472.20032	0.5
479.20895	2.6
481.18512	1.7
489.10428	17.1
489.18964	1.9
490.10797	2.1
496.21063	2.1
497.21786	13.3
498.22021	2.2
507.20178	1.3
643.27728	100.0
644.28040	23.3
653.25488	4.2
654.26355	1.3
671.26971	9.5
672.27533	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	671.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
70.89905	0.9
70.90279	0.7
71.01388	1.1
73.02970	1.3
81.03468	1.4
83.05040	4.4
85.02954	0.7
93.03472	26.8
93.24583	0.4
94.03811	1.1
95.01385	0.5
99.00901	0.5
99.04501	0.4
105.03500	0.4
107.05049	0.9
109.02980	2.3
111.04541	14.1
115.00403	0.8
117.03499	0.8
119.05046	0.8
121.02974	0.6
132.02180	0.6
133.02983	15.3
134.03789	3.9
135.04549	72.7
136.04912	2.9
137.02466	11.2
138.02853	0.7
139.04094	0.7
154.95065	0.4
155.02238	0.6
155.03508	9.5
159.04436	0.7
161.02467	67.2
161.08272	1.0
162.02823	3.7
163.04019	0.8
173.04568	9.0
178.02789	1.5
179.03520	77.7
180.03873	4.6
191.05585	2.5
196.86055	0.4
203.03503	0.7
208.83965	0.4
241.05066	0.4
247.09741	0.6
254.05757	0.8
255.06268	0.6
267.06488	0.6
269.08133	1.9
270.08521	1.5
271.09180	0.9
291.08807	1.6
295.05872	0.6
296.06409	0.4
313.07202	0.6
315.07840	0.5
317.06610	0.5
323.05035	0.6
335.07733	100.0
336.08075	10.3
337.08954	1.6
427.09149	0.5
471.12042	0.6
497.10342	0.7
515.11255	0.7
622.85663	0.5
671.16736	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	671.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81005	0.5
69.45587	4.5
69.45992	1.5
73.02948	1.3
81.03462	0.8
83.05036	2.4
88.87402	0.6
93.03474	10.7
109.02982	0.6
111.04568	3.4
125.41814	0.6
133.02977	5.4
134.03786	4.2
135.04549	95.7
136.04900	4.2
137.02490	6.2
155.03506	2.1
161.02478	23.6
162.02832	1.4
173.04584	2.1
176.05042	0.5
179.03528	89.0
180.03896	4.6
195.78297	0.6
312.28024	0.6
335.07739	100.0
336.08096	11.0
510.14410	0.7
702.60095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91002	0.2
54.80884	0.3
54.90728	0.3
57.03443	0.4
59.01377	0.7
59.49881	0.3
65.03949	0.6
69.55804	1.8
69.56237	0.9
71.01378	1.0
73.02956	1.0
75.94470	0.3
81.03469	1.1
83.05031	1.7
85.02947	1.3
87.00858	0.4
89.02473	0.3
93.03471	12.8
94.03803	0.7
99.00918	0.4
99.04539	0.5
103.66398	0.3
106.67791	0.3
107.05032	1.5
108.02110	0.4
109.02970	3.0
111.04539	4.9
115.00414	1.5
117.03487	0.8
123.04533	0.8
125.02456	1.1
133.02983	6.1
134.03793	3.8
135.04546	100.0
136.04884	5.0
137.02460	6.7
147.05696	0.3
149.06087	1.3
151.03995	0.5
152.67546	0.3
155.03510	2.1
159.04504	0.6
161.02466	22.8
161.06123	0.9
162.02808	1.2
167.03503	1.2
173.04578	3.2
175.04071	0.5
177.01912	0.5
179.03516	88.9
180.03842	4.8
185.06190	0.4
191.05632	6.4
192.06038	0.5
193.12457	0.4
199.04083	0.4
203.03534	0.9
211.31700	0.3
225.05676	0.3
227.03514	0.4
229.01390	0.8
230.01810	0.5
241.04994	0.7
242.05862	0.7
243.02982	0.7
243.06662	0.8
251.07253	0.3
253.08774	1.6
255.06592	1.7
269.08160	0.8
271.04883	0.4
271.09787	1.7
281.04587	0.4
289.07309	0.5
291.08603	0.4
297.07715	0.8
299.05551	0.5
313.07211	0.5
315.08383	1.0
335.07730	95.6
336.08051	9.5
337.09235	0.3
343.04733	0.4
359.07761	0.6
360.08185	0.3
403.37411	0.3
422.06161	0.3
427.08649	0.9
453.12018	0.6
471.12686	1.2
515.11731	2.7
535.11090	1.6
542.65082	0.3
546.77075	0.3
671.16205	6.4
672.16681	1.2
704.31866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36642	0.6
59.01378	0.6
61.98825	1.9
63.02409	1.5
65.00320	2.4
71.61983	0.9
78.95918	3.2
80.38718	0.7
83.01402	1.4
85.09383	0.8
85.68907	0.5
86.07301	0.6
93.03428	0.7
107.01424	4.5
124.01707	1.0
125.02448	1.3
151.00394	9.3
152.01105	1.4
152.99586	2.6
163.00299	0.9
166.30833	0.7
169.01375	1.4
178.99895	5.2
191.05598	1.1
224.04761	1.1
227.03539	0.9
235.03839	0.7
237.05528	0.7
255.23332	0.8
265.05182	1.2
280.03677	1.3
288.04114	0.6
292.03735	1.4
293.04550	0.7
295.02548	2.1
298.19128	0.7
304.04044	0.7
307.02567	0.8
308.03134	1.1
309.03900	0.7
312.13449	0.7
320.03101	1.3
321.03891	1.8
322.04904	3.6
324.02676	1.7
335.01901	1.2
335.05588	2.1
347.01572	1.2
348.02786	15.8
349.03195	3.8
351.01266	0.8
351.20053	1.0
361.03693	4.5
362.04214	2.3
379.04642	0.9
421.20486	1.1
445.20273	1.1
449.19754	0.9
462.19928	1.1
479.20676	3.9
480.20984	1.0
489.19202	70.4
490.19547	13.4
506.19543	9.1
507.20233	10.4
508.20532	1.9
581.67889	0.7
669.25586	100.0
670.25861	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	669.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51774	0.5
55.01875	1.3
57.03447	2.4
57.77659	0.5
58.00598	0.7
59.01382	22.9
59.65432	0.5
66.57112	0.5
68.99806	0.6
69.03460	1.9
70.93123	0.5
71.01389	17.1
71.05029	0.7
71.08848	0.8
71.09188	0.6
72.99317	1.8
73.02956	2.9
80.02686	3.0
81.03458	6.5
83.01396	2.4
83.05032	7.6
84.02181	0.8
84.88592	0.5
85.02966	5.4
87.00888	4.3
89.02456	6.6
93.03458	3.2
93.07117	1.1
95.01395	2.1
95.05033	3.3
97.02964	13.0
97.06596	6.1
99.00893	3.5
101.02455	11.2
106.04267	0.9
107.05067	3.0
108.02185	2.1
109.02985	2.1
109.06611	46.0
110.03750	2.5
110.06973	1.6
111.00881	1.2
111.04527	0.9
113.02469	6.0
119.03529	1.9
119.05104	0.7
121.02959	1.4
121.06625	3.8
122.03782	0.7
123.04575	1.5
123.08186	3.3
125.02498	1.5
125.06090	1.1
125.09741	22.1
126.10088	1.2
129.01929	0.6
133.06587	1.1
135.04567	1.9
135.08182	7.4
136.05313	1.9
137.02385	0.5
137.06042	0.7
137.09731	0.9
142.02750	4.4
143.03482	0.6
145.05099	1.8
145.10239	1.0
146.03752	0.5
147.04572	0.9
147.08243	0.6
147.11876	0.6
147.33937	0.5
149.09760	0.8
150.03127	0.5
151.07587	0.6
151.52966	0.5
159.04529	1.3
159.08228	0.7
161.04645	3.0
161.05832	0.8
161.09723	5.2
163.11305	26.8
164.11650	1.6
165.09232	1.6
165.12849	0.7
171.10269	2.8
172.05322	0.6
173.04562	0.7
173.06094	1.1
173.09767	1.0
173.11183	0.5
175.11269	3.1
177.12831	0.8
179.05640	0.6
179.10782	2.0
181.12338	6.5
185.11835	3.1
187.09781	8.3
189.09216	2.1
189.12958	0.7
191.05643	1.5
191.10742	3.3
191.14526	1.0
193.12392	1.2
197.11816	0.7
199.07664	0.6
199.09572	0.9
199.11362	0.5
201.09274	1.1
201.12901	0.9
203.10786	2.0
205.08714	1.0
205.12465	0.6
207.10278	100.0
208.10623	6.4
209.11845	24.9
210.12148	1.3
215.10793	0.7
217.12329	2.1
219.10364	3.2
219.13818	2.6
221.11862	0.9
223.09834	4.2
223.13382	2.9
223.97189	0.5
225.11336	46.5
226.11687	3.5
229.12399	1.1
235.08224	3.7
235.13338	2.7
237.11284	5.0
237.15021	1.0
242.13164	0.6
243.12122	0.5
245.11807	2.5
247.09743	0.8
247.13242	0.6
251.12863	0.7
253.09293	6.8
259.13403	0.6
261.11267	2.6
263.12878	7.1
264.13220	0.9
265.10748	0.7
270.12534	0.6
273.11279	1.1
275.12970	0.6
277.11166	0.5
281.13739	1.2
283.20575	1.1
286.12070	0.7
287.12894	1.0
289.14536	1.1
299.15253	0.7
299.20258	0.9
301.21649	0.7
309.18646	0.6
317.21301	1.2
325.18063	1.2
325.21756	1.3
327.19733	3.0
339.05048	1.0
341.21524	0.6
343.19153	2.1
343.22989	1.0
345.20712	1.6
348.14529	0.7
353.17526	2.2
353.21298	2.2
354.17975	0.7
361.20319	2.8
363.21744	1.2
369.20755	4.2
371.18582	5.9
371.22464	2.9
372.18930	1.0
379.20374	1.5
385.20773	0.7
387.21848	2.9
389.19577	6.4
389.23651	0.9
390.19757	0.9
397.20285	8.5
398.20435	1.0
403.21558	0.9
405.17722	2.1
405.22891	2.2
415.21292	21.4
416.21878	3.2
423.18878	0.6
433.22372	6.6
434.22427	0.6
443.19583	2.9
461.20355	11.2
462.20715	1.6
463.23059	0.9
471.23703	0.9
489.24896	1.7
507.26187	1.4
597.29126	5.2
598.30121	0.8
607.27563	19.1
608.27875	4.2
611.30243	0.7
623.30823	4.2
625.28827	44.7
626.29218	9.6
633.29315	15.4
634.29858	3.5
639.30042	0.9
651.30347	97.4
652.22437	0.4
652.30676	22.0
669.31354	47.3
670.31689	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	669.147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14349	0.6
58.02989	1.7
59.01388	1.2
66.27749	0.6
69.52525	0.6
70.02995	1.3
71.01401	1.0
71.07861	1.0
71.08200	1.4
73.02948	1.1
81.03499	0.7
83.01449	0.7
83.05056	0.9
85.03004	1.1
93.03478	15.0
99.00934	0.7
101.02460	0.8
108.02258	0.7
109.02969	15.9
111.04536	4.2
121.02985	16.2
122.03319	0.9
123.04594	0.8
125.02553	0.7
131.05063	1.0
133.03004	2.0
135.04570	5.2
137.02481	4.6
145.02991	1.5
146.03775	1.1
147.04550	10.7
155.03545	1.5
157.02951	6.4
159.04544	18.6
160.01680	1.5
160.04941	0.9
161.02461	4.1
164.07185	8.9
165.07518	1.6
173.02455	5.9
173.04623	2.9
175.03992	0.8
179.03563	2.8
185.02429	1.4
191.05666	4.2
192.06013	0.7
193.06546	0.9
195.08189	2.8
197.06096	1.3
203.03508	10.9
203.05240	0.9
206.08267	15.9
207.08421	1.5
209.06067	1.3
211.07674	3.3
221.06067	4.0
222.06888	3.3
223.07622	7.1
224.04816	1.7
225.05690	1.1
229.01424	27.7
230.01926	1.6
237.05649	2.3
238.06427	2.5
239.03593	0.7
239.07152	6.5
240.04411	0.9
241.04910	1.4
248.04852	1.1
249.05553	5.5
250.06296	3.0
251.07106	10.3
252.04150	0.7
252.07861	0.8
253.05066	2.7
254.05750	6.4
255.06415	0.9
265.05157	3.5
266.05795	2.5
267.06631	20.9
268.07101	2.6
269.08185	37.7
270.08475	4.1
277.05023	6.7
281.04633	0.7
283.06140	0.9
292.03723	0.8
293.04602	5.3
294.05084	1.2
295.06131	39.1
296.06531	3.8
297.04083	1.2
311.05667	7.0
312.06143	1.1
313.07190	19.8
313.49326	0.7
314.07648	3.1
321.04047	9.8
335.07834	1.0
338.04099	1.1
339.05124	100.0
340.05450	9.3
359.07748	1.9
451.10291	1.1
459.03076	0.9
469.11426	28.9
470.11655	3.3
495.09329	73.5
496.09622	12.0
513.10321	5.1
669.14642	35.7
670.14941	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	669.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11052	0.2
57.03447	0.5
57.58250	0.3
59.01382	1.1
67.01884	1.1
69.03470	0.4
69.48824	2.9
71.01389	2.0
73.02962	0.6
73.27555	0.3
75.24520	0.3
76.00552	0.3
76.04985	0.3
79.01952	0.3
81.03472	0.6
83.05012	0.4
83.93604	0.3
85.02959	6.6
87.00893	1.5
93.02922	0.6
93.03476	8.5
94.03757	0.4
95.01407	0.7
101.02496	0.3
108.02187	35.5
109.02997	12.0
110.03308	0.5
111.04530	1.7
113.02440	0.8
121.02973	0.8
123.00898	0.5
127.04021	1.7
133.02985	2.1
134.03789	0.6
135.04543	18.7
136.04863	0.9
137.02495	1.5
151.04007	0.9
152.01173	30.8
153.01968	12.7
153.03055	0.2
154.02260	0.6
155.03519	1.9
157.02859	0.3
159.04530	0.5
161.02420	2.1
161.33679	0.3
163.04027	0.8
163.05264	0.4
165.01956	0.8
173.04572	26.2
174.04868	1.5
175.48178	0.3
179.03519	17.9
180.03825	1.3
191.05627	100.0
192.05971	4.2
203.03484	0.6
229.01462	0.9
269.08194	1.1
295.06158	0.4
311.24905	0.3
313.07153	0.7
315.07214	53.7
316.07571	4.1
351.07291	0.4
353.08792	38.1
354.09070	3.7
469.11572	0.7
669.14130	0.5
670.15295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02924	0.3
81.03475	0.4
83.05046	0.7
93.03469	7.9
99.04528	0.4
109.02972	2.5
111.04543	1.9
111.05209	0.3
117.03500	0.4
119.05086	0.8
121.02976	16.5
122.03278	0.5
123.04525	0.4
123.15725	0.3
132.02165	0.4
133.02965	0.9
135.04553	3.2
137.02466	1.8
145.02995	1.0
147.04553	5.0
159.04556	2.3
160.01659	0.9
161.02461	3.0
167.08662	0.5
173.02455	6.3
173.04599	0.6
174.03046	0.5
175.03960	0.5
177.07155	0.3
179.03558	1.5
183.08180	0.6
185.02483	0.3
186.03220	0.4
191.05556	0.3
193.06618	1.0
195.08191	3.9
196.05302	0.7
197.06090	0.7
204.05731	0.4
205.06598	0.6
206.07220	0.4
207.08151	1.0
209.06071	0.9
210.06775	0.3
211.07683	2.9
212.04852	0.5
220.05249	0.6
221.06053	3.2
222.06866	2.4
223.07648	7.3
224.04750	1.5
224.08031	0.4
225.05563	1.0
229.01361	0.3
232.05243	0.5
233.06142	0.6
234.06970	0.4
235.04039	0.4
237.05580	3.0
238.06317	0.9
239.07133	6.3
240.04333	0.4
240.07518	0.7
247.03993	0.4
248.04732	0.8
249.05568	4.2
250.06297	2.7
251.03285	0.4
251.07135	9.4
252.04166	1.1
252.07552	1.2
253.05090	0.7
254.05923	0.4
265.05066	2.1
266.05847	2.2
267.06616	17.3
268.06927	2.1
269.08185	14.0
270.08600	1.1
276.04224	0.5
277.05069	4.5
278.05621	1.2
279.02896	0.3
280.03815	0.6
283.05963	0.5
293.04691	1.8
294.05197	0.8
295.06134	35.6
296.03049	0.5
296.06421	4.3
311.05679	4.7
312.06046	0.6
313.07156	4.9
321.04071	8.0
322.04422	1.0
339.05115	100.0
340.05444	11.0
388.04028	0.4
399.98318	0.3
415.08124	0.4
433.09491	0.3
451.10019	1.2
469.11417	17.6
470.11722	2.8
495.09326	83.7
496.09662	13.2
513.10071	1.0
623.64221	0.3
669.14813	4.6
670.15112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03451	86.5
58.00593	2.1
58.03789	1.7
59.01383	59.1
61.98834	3.6
64.82078	1.0
69.03456	1.0
71.01392	39.2
71.05026	0.9
72.99311	2.0
73.02958	10.1
75.00871	1.0
81.03474	1.8
83.01397	7.1
83.05009	1.1
85.02961	19.1
87.00887	1.5
87.04539	0.8
88.98845	2.0
89.02458	13.3
93.03472	2.8
95.01405	3.1
96.96033	1.2
99.00880	4.8
99.04535	48.8
99.17610	0.8
99.65855	0.8
101.02460	37.8
109.02981	1.3
111.00918	2.3
111.01653	0.9
112.01671	1.3
113.02477	18.5
116.92937	1.4
117.03481	18.0
119.03532	2.7
119.05050	12.1
121.02943	2.3
123.04465	0.9
125.02463	23.3
135.04523	3.4
137.02478	2.5
143.03511	3.2
145.02980	64.5
146.03354	3.1
147.04556	1.2
149.02481	1.2
150.03247	2.7
152.01106	1.3
153.09227	0.9
159.03047	1.7
159.04521	1.9
160.05302	6.8
161.02464	1.2
161.04562	2.7
161.06091	3.9
163.04030	11.1
164.04697	2.1
171.13885	2.0
173.04561	4.0
173.06046	1.7
175.07663	6.2
177.01956	2.9
177.05681	1.3
178.06367	1.3
179.03540	2.4
187.04172	0.9
187.13359	1.0
191.05661	5.1
201.14989	1.8
209.08220	1.2
212.27914	0.9
259.29639	0.9
299.01913	2.3
299.05173	1.1
301.03201	1.1
307.08255	29.8
307.52286	0.9
308.08618	2.7
315.12219	2.8
326.57117	1.0
329.14011	7.3
330.14334	1.6
354.28766	1.0
359.27985	2.7
361.25507	1.5
361.29614	14.1
362.30084	1.6
505.33838	59.7
506.34189	8.6
523.34875	100.0
524.35150	15.2
565.35858	12.1
566.35730	1.9
605.39105	1.7
623.36816	2.3
625.49207	1.0
637.22986	21.0
638.23273	4.7
667.24530	7.2
667.39203	84.5
668.24561	3.0
668.39496	18.7
668.49792	0.8
697.38538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03449	74.6
57.42421	0.8
58.03784	2.4
59.01382	55.3
61.98827	5.8
69.03459	1.8
69.53059	9.6
71.01387	34.4
72.99300	2.9
73.02964	7.2
75.04072	0.9
81.03465	1.9
83.01385	6.1
85.02956	13.7
85.06602	1.0
87.00881	5.9
88.98805	3.0
89.02451	16.0
93.03448	1.8
95.01388	3.1
97.02941	2.5
99.00867	2.6
99.04530	34.6
101.02462	38.9
107.01399	1.1
109.02975	1.2
111.00906	2.9
113.02467	17.2
116.92889	1.2
119.03502	5.5
123.08205	1.3
124.01694	0.9
125.01615	1.6
125.02468	18.4
129.01903	1.2
133.05092	1.1
135.04507	1.2
137.02437	1.3
141.85001	0.8
143.03531	1.4
151.00388	1.7
153.09233	1.4
155.03442	0.9
159.02940	1.7
160.04010	1.0
161.04584	1.7
163.41670	1.1
171.13982	2.1
173.04562	2.6
179.03545	1.1
187.13446	2.0
191.04033	1.1
191.05595	7.8
208.94611	0.9
243.02861	1.5
271.02417	3.2
299.02008	7.2
299.05026	1.3
300.02545	2.4
301.03574	4.0
313.03601	0.9
343.28461	1.3
358.67984	1.1
359.27939	3.6
361.29636	16.5
362.29852	2.0
442.96436	1.0
487.09256	1.0
505.33780	45.3
506.34003	7.8
523.34827	100.0
524.35205	15.2
544.35181	1.2
559.80371	1.2
565.36151	12.0
566.36182	2.3
567.47662	1.3
604.14777	3.2
605.39825	1.4
663.52490	1.1
667.39227	88.2
668.39581	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	667.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06411	0.6
55.01878	0.7
59.01383	20.9
61.98833	6.7
63.02398	0.6
67.01900	1.8
71.01390	12.8
71.70628	1.1
72.99332	1.8
73.02957	1.1
83.01386	0.7
85.02959	4.6
87.00900	1.6
88.98830	1.1
89.02454	9.9
90.02751	0.8
93.03476	12.1
95.01418	1.5
99.00904	0.9
101.02461	9.4
108.02193	1.5
109.02222	1.1
109.02968	18.9
111.00952	1.0
111.04536	1.6
113.02475	4.1
118.98098	0.9
119.03530	4.0
119.05039	2.2
121.02970	3.1
123.04556	2.0
129.03488	2.3
133.02997	1.7
134.03755	1.5
135.04549	14.6
136.04955	0.8
137.02477	4.0
145.02962	2.7
146.03732	1.6
147.04550	30.4
148.04884	1.5
153.01936	1.0
155.03580	3.7
159.04555	10.3
161.02495	2.3
161.04628	0.8
161.06113	1.5
162.03221	0.7
163.04070	3.5
173.04568	23.4
174.04930	1.5
179.03476	3.3
191.05623	17.0
211.03966	0.9
223.07649	1.0
232.09436	2.5
237.05602	2.0
241.05080	0.9
241.08620	1.2
242.05811	6.2
243.06149	1.0
251.07092	3.5
252.07977	4.1
253.05084	2.1
253.07912	0.9
254.05832	16.6
255.06197	1.0
257.08099	1.3
267.06696	4.4
268.07352	3.0
269.08188	33.9
270.08490	3.8
287.09262	2.5
295.06079	1.5
313.07288	1.3
314.03226	1.2
315.10870	14.1
316.11444	0.8
337.03427	1.3
353.08832	2.3
387.09366	2.3
429.10480	1.9
449.08264	0.9
449.14536	17.1
450.14816	2.6
475.12408	2.4
476.12256	0.8
487.10809	1.8
490.34567	0.7
493.13541	100.0
494.13983	14.4
505.12061	17.3
506.12299	2.6
515.65143	0.8
529.97876	0.7
547.13428	2.0
579.38263	0.8
644.33344	0.9
667.19049	14.5
668.19147	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	667.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06411	0.6
55.01878	0.7
59.01383	20.9
61.98833	6.7
63.02398	0.6
67.01900	1.8
71.01390	12.8
71.70628	1.1
72.99332	1.8
73.02957	1.1
83.01386	0.7
85.02959	4.6
87.00900	1.6
88.98830	1.1
89.02454	9.9
90.02751	0.8
93.03476	12.1
95.01418	1.5
99.00904	0.9
101.02461	9.4
108.02193	1.5
109.02222	1.1
109.02968	18.9
111.00952	1.0
111.04536	1.6
113.02475	4.1
118.98098	0.9
119.03530	4.0
119.05039	2.2
121.02970	3.1
123.04556	2.0
129.03488	2.3
133.02997	1.7
134.03755	1.5
135.04549	14.6
136.04955	0.8
137.02477	4.0
145.02962	2.7
146.03732	1.6
147.04550	30.4
148.04884	1.5
153.01936	1.0
155.03580	3.7
159.04555	10.3
161.02495	2.3
161.04628	0.8
161.06113	1.5
162.03221	0.7
163.04070	3.5
173.04568	23.4
174.04930	1.5
179.03476	3.3
191.05623	17.0
211.03966	0.9
223.07649	1.0
232.09436	2.5
237.05602	2.0
241.05080	0.9
241.08620	1.2
242.05811	6.2
243.06149	1.0
251.07092	3.5
252.07977	4.1
253.05084	2.1
253.07912	0.9
254.05832	16.6
255.06197	1.0
257.08099	1.3
267.06696	4.4
268.07352	3.0
269.08188	33.9
270.08490	3.8
287.09262	2.5
295.06079	1.5
313.07288	1.3
314.03226	1.2
315.10870	14.1
316.11444	0.8
337.03427	1.3
353.08832	2.3
387.09366	2.3
429.10480	1.9
449.08264	0.9
449.14536	17.1
450.14816	2.6
475.12408	2.4
476.12256	0.8
487.10809	1.8
490.34567	0.7
493.13541	100.0
494.13983	14.4
505.12061	17.3
506.12299	2.6
515.65143	0.8
529.97876	0.7
547.13428	2.0
579.38263	0.8
644.33344	0.9
667.19049	14.5
668.19147	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	667.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19083	0.2
57.03450	0.3
59.01382	1.0
60.99301	0.5
61.98837	2.2
67.01896	0.4
69.03470	0.3
71.01393	0.8
73.02937	0.3
81.03448	0.4
83.05018	0.3
85.02961	5.6
87.00888	1.2
88.98819	1.3
89.02464	0.3
93.03474	4.6
94.03771	0.2
95.01376	0.2
96.96029	0.2
99.04530	0.5
100.97595	0.1
101.02447	0.2
109.02982	0.9
111.04552	1.2
113.02446	0.4
116.92882	0.3
118.16666	0.1
119.05047	0.7
121.03000	0.2
123.04542	1.0
125.02493	0.8
127.04047	1.6
133.03004	0.2
135.04568	1.1
137.02467	0.6
137.67899	0.2
145.02994	0.7
155.03525	0.4
161.02475	0.7
163.04031	1.5
167.03545	2.5
171.02986	0.5
173.04581	2.6
173.72461	0.1
174.04907	0.2
177.02113	0.2
179.03477	0.3
191.05641	100.0
192.05991	3.8
206.08330	0.2
209.04402	0.2
209.06139	0.4
211.07806	0.2
219.04587	0.2
221.06171	0.2
229.28920	0.1
237.05632	0.5
239.07092	0.2
247.04187	0.2
248.04813	0.3
251.03546	0.5
263.03360	0.2
264.04315	0.5
265.05072	2.1
266.05569	0.3
267.06659	2.0
275.03586	0.2
289.07156	0.3
293.04587	1.6
294.05212	0.2
295.02417	0.6
311.05600	3.1
312.06079	0.3
319.02573	0.2
329.08798	0.7
337.03555	7.3
337.09311	25.5
338.03918	0.8
338.09644	2.8
355.04507	0.2
384.51028	0.2
407.07727	0.2
425.08588	0.3
448.23376	0.1
467.09695	1.2
468.10370	0.2
475.12497	0.6
493.07758	0.6
511.08997	1.2
667.12476	2.5
668.12799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94080	0.3
55.01869	0.3
57.03452	1.0
59.01381	8.2
61.98824	0.6
67.68725	0.2
69.03445	0.3
69.57316	2.3
71.01389	6.0
73.02956	2.1
75.59975	0.3
81.03472	1.7
83.01397	8.3
85.02956	5.3
87.00890	0.4
89.02448	0.6
93.03465	1.3
95.01402	1.9
97.03001	0.3
99.00876	1.1
99.04562	0.3
99.17643	0.2
101.01846	0.4
101.02460	4.2
107.01396	0.5
108.02191	60.7
109.02985	29.5
109.03777	0.4
110.03284	1.3
111.04533	0.3
112.69389	0.2
113.02475	3.0
121.02963	2.0
123.00919	1.5
123.04547	1.5
125.02473	3.9
133.02969	1.1
134.03719	0.6
135.00914	0.9
135.04562	1.3
137.02484	0.4
151.04030	2.3
152.01180	69.2
153.01968	25.1
154.02261	1.3
161.04565	1.5
163.04005	2.0
165.01939	1.9
172.05338	0.3
173.04562	0.9
173.05942	0.5
177.01888	0.5
179.03516	0.4
181.05128	0.6
191.05605	1.3
191.07207	0.6
193.05005	0.4
195.02982	0.5
203.09477	0.3
216.04271	0.9
217.05089	2.4
221.10333	2.0
225.04111	0.3
233.76189	0.3
259.06052	0.3
297.06183	0.8
297.10028	1.1
312.12326	0.9
315.07224	27.9
316.07663	2.0
357.08261	9.9
358.08569	1.1
379.10327	0.6
397.11401	2.0
398.11639	0.3
399.09348	2.0
423.09381	1.8
440.61853	0.3
447.09573	0.6
490.14999	1.3
635.63782	0.2
645.20074	1.3
663.21527	100.0
664.21783	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	667.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96693	0.4
51.75301	0.5
57.03455	3.7
59.01373	4.6
60.99333	1.1
61.98835	20.3
65.00357	1.4
71.01391	2.9
71.71149	0.5
71.71580	0.6
73.02978	0.6
78.95940	0.6
83.01392	0.6
83.05070	0.9
85.02999	1.6
88.98815	6.0
89.02454	0.7
93.03496	1.2
95.01386	0.6
99.00910	0.6
99.04571	1.4
101.02464	2.6
109.02954	0.6
113.02499	1.6
125.02486	1.2
132.02174	3.3
133.02983	1.1
133.05084	0.5
134.03743	2.6
135.04585	2.3
136.98849	2.0
137.02481	1.7
143.66483	0.5
145.03052	0.7
149.06145	0.6
151.47322	0.5
152.01263	0.6
159.10345	0.7
160.01691	9.6
161.02396	1.9
163.04060	0.4
164.98396	0.6
168.42792	0.5
173.04588	1.4
175.04034	6.1
179.03554	1.8
191.05595	2.4
193.05075	0.6
199.04031	1.2
209.74068	0.6
227.03514	1.1
242.02208	0.7
243.02963	0.8
270.01538	0.7
271.02469	24.6
272.02911	2.6
283.02539	0.9
284.03244	1.9
285.03909	2.1
298.01187	1.4
299.01990	26.7
300.02689	2.8
312.02502	0.5
313.03549	4.3
314.04337	72.9
315.04727	8.4
323.07709	2.1
329.06674	100.0
330.06970	11.8
337.09695	2.0
341.03186	0.7
343.08279	1.3
361.29584	0.6
431.26437	0.8
449.27225	0.9
505.33752	1.6
522.33398	1.4
523.34802	3.3
565.35620	0.6
604.14783	1.6
631.23682	0.9
666.37939	0.6
667.16852	8.3
667.39209	5.2
668.17181	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	663.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
57.03452	0.5
59.01383	1.0
59.26949	0.2
59.86026	0.2
60.99303	1.0
67.01891	3.6
69.03448	1.2
71.01383	2.0
81.03469	0.9
83.05047	0.6
85.02966	3.8
87.00889	4.7
89.02481	0.3
93.03471	24.9
94.03819	0.8
99.00904	0.4
99.04549	0.5
101.02478	0.3
109.02959	1.1
111.04536	4.4
115.37482	0.2
119.05045	9.0
120.05384	0.6
127.04045	1.3
129.01970	0.9
133.02966	0.3
135.04602	0.7
137.02484	1.3
145.02997	2.0
146.40952	0.2
152.01227	0.4
155.03490	1.5
155.56566	0.3
161.02448	0.4
163.04031	10.2
164.04454	0.4
171.03064	0.3
173.04576	33.3
174.04958	1.1
179.03470	0.5
191.05630	100.0
192.05991	4.8
236.78362	0.2
244.69966	0.3
285.04364	0.2
337.09305	41.6
338.09625	4.4
353.08957	0.4
472.13925	0.5
617.76819	0.3
663.20361	0.8
674.94153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	32.2
60.01712	0.3
66.29332	0.2
96.70586	0.2
98.19741	0.4
99.08173	14.8
100.08498	0.4
124.34400	0.2
127.07674	11.4
143.07127	0.3
145.08727	100.0
146.09068	4.0
165.62822	0.3
187.09778	48.5
188.10139	2.4
191.05698	0.3
192.39275	0.3
208.60315	0.2
227.03529	1.0
229.98332	0.3
255.02928	1.2
256.03250	0.3
283.57080	0.2
284.03241	1.8
285.03937	2.0
286.04431	0.3
431.09790	3.2
432.10159	0.4
639.72931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.4
61.98828	1.8
67.01871	0.9
69.03429	1.2
69.66808	3.2
69.67240	3.9
71.01390	4.0
81.03466	1.9
83.01413	1.9
85.02975	2.3
87.00875	1.4
93.03467	1.9
93.17540	1.1
93.27566	1.0
95.01384	3.1
97.02892	1.0
98.20606	1.6
101.02448	2.4
107.01421	1.1
108.02193	70.4
109.02994	30.4
111.00892	1.3
113.02451	1.4
113.25652	0.9
121.02972	4.9
122.03738	3.5
123.00883	3.0
123.04533	7.7
124.01609	1.0
125.02460	3.1
133.02965	2.0
135.00935	2.0
135.04529	3.0
136.01740	0.8
137.02486	2.3
149.02466	7.2
150.03258	19.6
151.00409	4.8
151.04028	11.5
152.01181	70.2
153.01984	31.7
154.02257	1.2
155.03387	0.9
162.03244	1.0
163.04018	1.6
164.04880	1.0
165.01949	5.1
165.05592	13.7
166.02708	2.4
167.03517	12.0
168.03989	0.9
173.04576	1.3
179.03563	1.2
181.01433	3.3
181.05080	3.4
190.22311	0.9
191.05598	1.9
195.02989	1.4
197.00996	2.0
271.09790	1.0
296.05511	2.0
297.06161	4.0
311.07742	5.3
315.08603	2.7
400.76422	1.1
421.11304	1.5
433.07874	0.9
463.08719	2.0
464.09665	7.5
465.10376	7.5
479.11829	2.9
503.25266	1.2
613.15540	2.0
643.16400	7.1
661.17804	100.0
662.18018	22.1
670.95929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.3
61.98888	1.2
63.22560	0.2
65.04003	0.3
71.01443	0.8
71.25748	0.3
71.26078	0.3
73.03001	0.4
78.95979	0.3
81.03489	0.4
83.01464	0.2
83.05105	0.6
84.52007	0.2
85.03014	0.3
85.51137	0.3
89.02523	0.3
93.03477	5.0
100.04143	0.8
102.05621	2.2
109.03033	0.5
111.04536	1.3
113.02496	0.3
117.51607	0.2
122.06145	0.3
128.03555	3.8
134.02507	5.6
134.03494	0.4
135.04601	0.4
137.02467	1.9
145.03014	0.4
146.04703	1.2
147.04579	0.6
151.11304	0.3
155.03625	0.8
156.03130	1.2
158.02608	0.6
158.03877	0.8
159.02228	0.3
159.03363	1.1
159.04622	3.0
159.05569	0.3
160.04056	1.4
161.02548	1.1
161.04704	0.3
161.06186	0.7
162.01993	5.7
163.04068	0.7
169.12454	0.8
170.12772	0.3
171.10435	1.0
172.02602	0.9
173.02539	0.7
173.04741	0.6
173.06117	0.3
174.03262	2.8
174.05617	0.6
175.02715	0.5
175.04095	2.1
175.06487	0.4
176.04739	0.3
186.03371	0.3
187.04033	7.0
188.04805	3.7
189.05502	0.4
191.05714	0.7
196.17160	1.0
197.11916	0.9
199.04140	0.4
200.03528	8.6
201.02095	0.5
201.04256	0.8
201.11316	0.4
202.05220	0.9
202.08716	0.3
203.03491	0.3
207.10352	0.4
209.11916	0.9
210.12164	0.4
212.03523	0.7
213.11313	0.3
214.05061	3.7
214.06940	0.2
214.11694	0.3
215.05786	1.8
216.04451	0.4
216.06450	0.3
225.11435	0.5
226.05193	0.5
227.03442	0.3
227.07307	0.5
227.13007	0.4
228.06686	4.6
229.07182	0.3
242.08315	0.4
243.08914	1.8
244.09668	0.6
262.10864	0.6
270.07800	0.7
285.18628	1.2
287.07986	5.4
288.08734	4.5
297.18774	0.5
300.17242	0.3
311.16504	0.5
312.19659	0.4
313.18115	10.7
314.17627	100.0
315.17725	11.2
316.19971	0.4
324.20004	0.3
328.16559	0.5
329.17590	34.3
330.17648	4.3
330.20807	0.8
332.22296	0.5
338.17761	0.4
341.17566	5.0
342.17938	0.8
354.24429	0.4
355.22772	0.3
356.18594	1.2
356.22433	0.3
357.17017	2.3
358.17227	0.4
362.23260	0.3
380.22314	0.5
390.22827	0.4
398.23312	0.9
400.21194	1.0
416.24551	1.3
424.21283	2.1
442.22342	12.8
443.22867	2.5
444.20282	3.4
445.20483	0.6
460.23480	1.4
468.20068	1.0
486.21506	0.7
504.22342	1.0
513.21222	4.0
514.21167	1.1
515.22717	0.5
598.26398	1.6
616.27484	0.8
642.25073	0.6
660.26251	10.7
661.27014	2.6
661.36774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76718	0.6
56.18304	0.5
56.53333	0.5
57.03446	2.3
58.00591	0.6
59.01378	5.5
61.98832	1.5
64.97946	0.5
69.03445	0.7
70.05682	1.9
70.06089	1.3
71.01397	5.6
71.46592	0.5
72.99335	0.6
73.02957	1.4
80.02696	1.1
81.03466	1.9
83.01403	1.2
83.05036	4.5
84.02168	0.9
85.02968	2.3
87.00887	1.3
89.02448	3.0
93.03471	3.8
95.01431	0.9
95.05055	1.7
97.06604	4.5
98.20565	0.7
99.00862	0.6
101.02464	5.3
102.05606	2.6
109.02968	0.9
109.06594	0.6
111.04522	1.3
113.02469	3.0
125.02423	0.6
125.09764	1.1
128.03535	0.7
135.04591	0.9
135.08177	0.7
137.02441	2.5
146.04649	1.4
149.09738	1.0
151.00380	1.0
151.11305	15.0
152.01172	0.6
152.11697	0.9
159.03271	3.4
159.04546	4.6
160.04051	3.8
161.04572	1.7
161.06119	1.9
163.11264	4.0
165.12857	1.7
169.12361	84.9
170.12709	5.3
171.10300	0.9
173.04599	1.9
174.03244	1.2
175.03998	1.4
176.07095	0.7
178.99805	0.8
179.05696	0.6
181.12375	0.8
185.02548	0.8
185.11836	1.1
187.04051	2.8
191.05615	3.1
191.10724	0.8
193.79434	0.6
195.10295	2.9
197.11876	0.9
200.03624	0.8
202.04922	0.6
203.03528	3.4
209.11844	54.1
210.12215	3.9
211.13478	0.8
213.11356	13.4
218.11935	0.7
227.12878	5.9
235.08221	1.9
244.09798	1.0
253.09265	3.7
258.18542	0.6
262.10815	2.2
270.18564	0.7
271.02487	0.6
285.18665	0.9
288.08859	1.3
303.19583	1.0
313.18033	1.4
314.17621	38.0
315.19647	0.9
329.17456	4.1
359.07828	2.2
400.21420	0.8
416.24619	3.7
424.21613	0.7
431.19556	2.5
442.22424	3.7
444.81500	0.5
449.20273	8.4
450.20862	0.8
460.23654	1.9
462.14072	0.8
497.27231	0.8
503.22607	0.7
504.22614	0.7
513.21429	2.2
514.44159	0.5
515.22748	0.7
597.20062	2.6
615.37915	0.8
616.27643	1.1
641.31738	3.2
642.31744	0.7
659.32947	100.0
660.33929	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	659.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01383	1.9
60.29863	0.4
60.88691	0.3
63.02406	8.0
64.99984	0.9
65.00335	18.0
66.00653	0.4
70.05447	2.3
71.01403	0.8
72.75671	0.3
83.01403	10.9
89.00363	0.5
89.02460	1.1
91.37334	0.4
93.13665	0.4
95.01422	0.9
101.02486	0.5
107.01411	26.8
108.01733	1.0
109.02976	0.9
111.00918	0.4
117.03528	0.7
123.00921	0.7
124.01694	5.3
125.02477	13.1
126.02857	0.6
131.71718	0.4
132.02228	0.7
133.02968	1.2
134.54565	0.4
135.04523	1.2
137.02498	0.7
139.00406	0.4
145.03012	1.1
146.03751	1.2
151.00403	100.0
152.01201	17.9
153.01984	6.1
154.33240	0.4
158.03778	0.5
159.00983	0.6
159.04524	0.6
160.01703	0.6
161.02484	18.8
162.03268	11.5
163.00436	2.6
163.03972	2.3
165.01996	0.6
169.01462	20.2
170.01749	0.8
171.04675	0.4
172.05318	0.8
173.02489	1.6
174.03268	3.7
175.03908	0.8
178.99892	82.5
180.00224	4.5
181.01466	1.7
183.04585	0.5
185.02280	0.4
186.03329	0.4
187.04010	1.3
188.01210	2.5
188.02698	0.4
188.04820	1.4
189.01974	3.7
189.05589	0.5
190.02756	5.5
191.03506	3.3
191.05270	0.8
192.00731	0.6
193.01428	1.9
195.04686	0.4
195.13960	0.5
198.03230	0.8
199.04010	1.4
200.04781	1.3
201.05592	0.5
202.02878	0.5
203.03484	2.5
204.04277	0.7
207.02980	0.8
209.06125	0.7
209.11812	0.7
211.04031	1.4
211.13452	1.0
212.04765	0.9
212.13742	0.6
213.02029	0.5
213.05769	0.7
214.02754	2.1
215.03508	0.9
216.00685	0.6
216.04210	0.9
217.01335	1.0
220.56723	0.5
223.04021	0.5
224.04691	2.0
225.05492	0.9
226.02708	0.9
227.03593	2.0
228.04239	0.9
229.04907	0.6
235.04115	0.6
236.04764	3.1
237.05568	2.7
237.29617	0.4
238.02708	0.7
238.06355	0.6
239.03551	1.8
240.04282	3.0
241.01332	0.4
241.04987	1.4
243.03030	0.8
250.02631	0.5
250.66261	0.4
251.03496	2.0
252.04329	1.3
253.05019	1.5
254.02272	0.7
255.03035	1.1
256.03732	1.6
257.04538	0.9
265.05087	0.6
267.03009	1.7
268.03668	2.6
269.04581	1.3
271.02472	1.8
271.17014	0.9
279.03033	3.8
280.03738	6.7
281.04578	14.1
282.01947	0.6
282.05026	1.3
285.04251	0.4
287.16437	2.6
293.04504	0.6
295.02554	5.4
296.03271	12.8
297.03934	5.7
298.04318	0.5
299.01923	2.6
299.16516	3.4
300.02573	1.1
300.16861	0.8
305.14050	0.5
308.03226	0.5
309.03976	0.6
314.04309	1.2
314.15344	0.6
315.16034	16.4
316.16724	10.6
317.17526	5.8
323.01822	1.1
324.02780	57.6
325.03476	22.9
325.14352	0.9
326.03842	1.1
327.16019	2.4
337.03580	2.6
337.18188	0.5
338.04236	2.2
341.17468	0.7
343.04401	1.2
343.15439	3.1
344.16254	4.7
345.17084	20.7
346.13858	0.4
346.17453	2.3
352.02057	3.0
353.14059	2.4
354.14679	0.8
355.15588	0.5
365.17569	0.8
369.17032	1.2
370.14325	1.0
371.15027	1.5
393.16864	1.2
407.18344	0.8
411.18198	1.0
423.18378	0.6
428.67090	0.5
433.16736	1.9
434.17593	0.7
435.18201	5.1
450.16791	1.1
451.17627	18.6
452.17917	2.9
461.16141	1.3
467.17026	0.9
469.18799	5.3
470.18915	0.8
478.16348	3.8
479.10013	1.1
479.17130	55.0
480.17612	9.4
497.18185	55.7
498.18591	9.7
505.09915	1.0
506.77182	0.5
507.22388	14.1
508.22748	2.3
533.20288	8.0
534.20483	1.4
613.22461	0.5
631.23938	3.0
632.25122	0.9
641.22937	0.9
659.23590	79.6
660.23889	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	659.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65858	0.5
57.03439	0.9
63.02388	3.0
65.00318	6.5
66.71243	0.6
68.99818	0.7
71.40782	1.4
76.21832	0.6
83.01388	4.0
95.01389	1.1
96.02179	0.8
107.01412	10.0
110.00076	0.6
111.00883	1.6
123.00890	2.3
124.01671	14.2
125.02476	6.1
133.02982	1.1
135.04546	1.4
139.00372	2.2
141.01952	1.3
145.02954	1.4
151.00397	44.1
152.01178	66.1
153.01620	2.3
161.02475	6.1
162.03270	2.9
163.00374	0.8
163.04041	5.7
164.01219	0.8
164.04369	0.5
169.01486	3.6
173.02448	0.9
174.03102	0.8
175.03995	1.3
178.99879	51.5
180.00386	2.9
189.01926	3.8
190.02707	2.1
191.03502	5.8
192.00609	0.7
193.01421	1.3
199.03981	0.6
211.03912	0.7
214.67195	0.5
215.03503	0.7
215.64093	0.6
217.01375	1.5
227.03555	1.2
239.03554	0.9
241.05113	0.9
243.02939	1.4
244.03459	0.8
255.02820	0.7
267.03009	1.1
269.04398	1.1
271.02527	5.7
272.02963	1.0
277.34131	0.5
279.02914	0.7
280.03613	0.7
285.03989	3.5
289.17963	1.6
295.02432	1.6
296.03360	4.2
297.04025	7.9
298.04416	1.0
299.01978	6.3
299.16605	0.9
300.02786	4.6
313.03610	1.6
314.04306	14.1
315.04785	1.9
317.17621	2.8
324.02817	2.8
325.03510	5.6
341.03165	0.7
342.03760	2.0
343.04492	6.3
343.15466	5.3
348.02679	1.1
433.16547	1.6
451.17770	3.0
461.16049	2.2
468.18033	1.5
469.18732	11.5
470.18866	1.5
479.17038	1.2
505.09872	52.8
506.10190	7.4
613.23462	0.7
616.06940	0.7
631.24097	100.0
632.24445	21.8
641.22839	4.2
642.22577	0.6
659.23529	12.1
660.23840	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	659.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01387	0.6
59.32232	0.4
63.02412	3.4
65.00330	7.3
68.99815	0.4
70.98313	0.5
71.25558	1.2
74.23791	0.4
83.01410	3.9
95.01389	1.7
96.02201	0.7
107.01410	10.5
107.05022	0.5
111.00919	2.0
117.03530	0.6
117.69501	0.5
123.00904	3.1
124.01698	14.4
125.02491	8.3
133.03027	0.7
135.04570	1.5
139.00406	3.0
141.01967	2.0
145.02977	1.1
151.00401	45.2
152.01184	71.1
153.01524	3.9
160.01588	0.7
161.02472	5.7
162.03235	3.9
163.00433	0.9
163.04037	5.0
169.01450	4.0
171.68283	0.6
173.02483	0.8
174.03291	0.7
175.04044	1.3
178.99881	62.3
180.00357	3.3
189.01955	4.0
190.02719	1.8
191.03523	5.0
192.00688	1.3
193.01497	1.0
203.03714	0.7
207.02997	1.0
209.11877	1.8
210.12144	0.7
211.13405	0.9
212.13731	0.7
215.03636	0.6
217.01428	2.9
225.05699	0.7
227.03513	1.2
239.03610	0.8
241.05026	1.3
242.28894	0.6
243.03041	1.3
253.04968	0.6
255.03001	0.7
256.03760	1.0
267.02988	0.8
269.04343	1.2
271.02512	4.6
271.05182	0.9
272.03091	0.8
280.03723	1.3
281.04483	1.3
285.04016	4.3
287.16455	1.1
289.18018	0.9
295.02536	2.3
296.03391	3.4
297.04053	9.1
298.04471	1.1
299.01993	6.5
299.16669	0.6
300.02722	4.8
313.03625	1.5
314.04333	15.1
314.07794	1.1
315.04895	2.8
315.15939	0.8
316.16852	1.6
317.17575	3.2
324.02750	2.3
325.03531	5.8
326.04034	0.7
342.03821	2.2
343.04514	5.5
343.15588	6.5
344.16000	0.6
348.02902	1.2
353.14178	0.6
405.16928	1.4
433.16656	1.6
451.17645	3.4
461.16138	3.2
468.17920	1.7
469.18649	9.9
470.19302	1.5
479.17413	1.6
505.09885	47.7
506.10309	6.6
507.22537	0.8
631.24121	100.0
632.24506	19.1
641.22797	3.0
642.24072	0.5
659.23425	13.3
660.23590	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	659.2353
Annotation	Leptolepisol C 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03466	0.8
63.02398	4.6
65.00323	8.7
68.99786	1.0
69.47783	8.1
83.01388	5.0
95.01414	0.8
98.18494	0.8
107.01413	12.8
111.00889	1.1
115.75187	0.8
123.00906	2.3
124.01679	15.7
125.02484	7.2
133.02847	1.3
135.00879	0.8
135.04514	1.7
139.00371	2.5
141.01933	1.8
145.02954	0.8
150.98564	1.0
151.00389	49.4
152.01176	78.5
153.01643	3.3
161.02473	6.8
162.03195	4.7
163.00287	1.0
163.04013	6.0
169.01440	4.5
173.02472	1.5
174.03223	0.7
175.04037	1.3
178.99876	57.9
180.00273	3.7
189.01952	4.6
190.02728	2.1
190.99585	0.8
191.03479	5.4
192.00595	1.9
193.01378	1.3
199.04099	1.1
207.03020	1.2
211.03917	1.3
217.01396	2.5
227.03444	1.7
240.04550	0.9
241.05032	0.9
257.04422	0.9
269.04550	2.0
271.02411	6.3
281.04590	1.1
285.04004	4.3
286.04108	0.8
287.16489	0.9
289.18109	1.0
295.02322	2.0
296.03278	4.0
297.04025	8.7
298.04529	1.7
298.94495	0.8
299.01984	7.1
300.02701	5.3
313.03583	1.9
314.04337	15.0
315.04858	2.4
315.15948	0.9
316.16721	2.1
317.17465	2.9
324.02682	3.0
325.03439	5.2
326.03589	1.0
342.03824	1.8
343.04526	5.5
343.15515	6.0
348.02539	2.1
433.16522	1.9
451.17517	4.3
461.15872	3.2
467.16748	1.1
468.17804	2.5
469.18716	12.8
470.18973	2.0
479.16888	1.2
505.09848	43.2
506.10126	6.8
631.24097	100.0
632.24396	22.5
641.22375	4.0
659.23425	16.3
660.23816	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	658.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
58.02968	0.8
59.01374	1.6
59.37519	0.3
65.08337	0.3
67.01888	0.4
70.58749	1.1
71.01380	1.0
73.02979	0.3
74.02483	1.6
81.03465	0.6
83.01382	0.3
83.05099	0.3
85.02962	9.6
86.02488	0.6
87.00874	1.5
93.03474	5.7
99.04507	0.7
99.05640	1.4
101.02452	0.4
102.05648	0.3
105.03452	0.7
109.01186	0.9
109.02985	1.6
110.58837	0.3
111.04545	1.3
119.05016	0.8
123.04520	0.4
123.05628	0.3
125.02470	0.6
125.03558	0.4
127.04075	1.9
127.04929	0.4
128.03561	4.5
131.01418	0.4
132.02228	0.8
133.02992	4.4
135.04532	2.5
135.05559	0.6
137.00728	4.0
137.02469	2.5
139.02254	0.8
141.06696	0.5
143.04643	5.8
145.02995	0.3
145.06201	0.6
145.41710	0.3
151.03958	0.4
154.01469	0.3
155.03525	0.5
159.04544	0.4
160.01686	4.9
161.02412	1.1
163.04024	1.0
163.99376	0.3
164.98837	0.2
165.00177	7.2
167.01750	9.1
171.03038	0.8
173.04581	4.4
177.01944	1.1
179.03398	1.8
179.04788	0.8
191.05635	100.0
192.05989	3.8
192.99660	59.1
193.99985	2.9
201.11368	0.3
210.08829	1.1
211.00714	4.6
215.05647	0.8
219.12421	0.4
254.07884	2.3
261.13290	0.4
265.04880	0.4
266.05780	0.4
267.06577	0.8
268.02902	0.7
272.08881	9.9
273.09186	0.6
293.04361	0.5
294.04938	0.8
306.07733	1.1
307.08124	0.4
311.05734	0.5
312.05948	0.5
322.56583	0.3
337.03708	0.4
338.03955	0.5
339.05008	1.2
351.07227	2.3
353.08795	2.1
359.07526	0.6
376.30435	0.4
379.06183	0.7
385.06009	32.7
386.06424	3.2
422.10117	0.3
423.11572	0.3
440.10754	0.4
448.08371	0.6
449.91742	0.3
459.47141	0.3
466.09183	8.4
467.09720	2.8
609.14459	0.4
658.15631	9.0
659.16284	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	658.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
67.01891	0.6
70.84990	1.4
71.01398	1.4
71.67217	0.4
73.02956	0.5
74.02481	0.6
81.03473	0.6
83.05031	0.7
84.78527	0.3
85.02961	10.9
86.02470	0.3
87.00871	2.8
93.03474	5.2
98.78026	0.4
99.04564	0.6
99.05671	0.6
105.03474	1.2
107.05045	0.7
109.01200	0.5
109.02951	1.5
111.04534	1.6
121.02925	0.5
123.04491	0.4
125.02438	0.4
127.04025	2.6
128.03564	2.1
133.02972	7.5
134.03304	0.6
135.04568	2.4
137.00684	1.5
139.02283	2.5
143.04613	2.8
155.03502	0.6
159.04538	0.5
160.01682	4.7
161.02457	1.3
163.99451	0.4
165.00192	5.9
167.01744	19.9
168.02057	1.0
171.02995	0.8
173.04562	6.1
177.01956	2.2
179.03496	1.6
191.05632	100.0
192.05977	4.2
192.99658	72.2
193.99977	4.0
197.04497	0.6
210.08894	0.6
211.00708	2.1
249.52594	0.4
254.07747	0.8
272.08917	4.7
306.07623	0.9
307.08112	0.7
351.07190	2.1
353.08759	3.0
353.86801	0.4
385.05994	44.6
386.06335	4.8
440.11224	0.7
455.77689	0.4
466.09161	1.2
467.09753	1.1
529.11310	0.7
585.62329	0.4
609.15198	0.6
658.15643	9.2
658.25714	0.6
659.16125	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	658.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36499	0.3
52.00772	0.3
52.81752	0.4
53.05774	0.4
59.01376	0.7
60.30878	0.4
61.98837	4.1
65.00330	0.3
66.77774	0.4
69.57114	1.1
69.57539	2.2
71.01399	0.5
83.01376	0.6
98.20599	0.5
107.01408	0.9
108.02198	1.0
109.03004	0.6
118.02885	0.4
131.07196	0.8
135.00891	0.9
139.04082	0.6
148.01711	0.5
151.00380	4.9
153.01941	0.6
153.17392	0.4
163.00377	0.7
164.01205	0.6
173.04543	0.6
173.08257	0.4
178.05597	0.3
178.99893	2.8
183.02991	0.8
191.05620	1.5
199.04034	0.6
224.30568	0.4
226.02718	1.0
227.03462	1.8
243.02988	7.5
244.03429	0.6
254.02289	1.9
255.02983	19.9
256.03333	1.5
271.02481	42.7
272.02847	4.8
273.03925	0.6
299.02118	1.8
300.02774	100.0
301.03281	13.7
451.00580	0.4
512.81323	0.4
595.13086	88.3
596.13391	15.8
596.23041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
58.02973	0.4
59.01379	1.7
60.99313	0.4
61.98824	0.3
63.85133	0.3
67.01888	0.8
69.03455	0.7
71.01397	1.6
71.70424	0.6
73.02954	0.5
73.08801	0.2
74.02489	0.7
81.03470	0.7
83.05042	0.8
85.02962	14.2
87.00882	3.3
93.03468	10.7
95.01385	0.3
99.04540	1.1
99.05656	0.5
105.03486	0.7
107.05057	0.6
109.01172	0.5
109.02974	2.1
111.00897	0.4
111.04544	2.7
113.02480	0.4
115.04066	0.3
119.05039	0.4
125.02506	0.4
127.04020	3.1
128.03566	2.2
132.02208	0.5
133.02989	5.4
135.04604	1.9
137.00748	2.3
137.02483	1.0
139.02240	1.9
143.03546	0.7
143.04646	3.0
149.00781	0.3
153.01996	0.4
155.03535	0.9
159.04541	0.3
160.01682	3.7
161.02435	1.1
163.04022	0.8
163.99379	0.3
165.00169	6.2
166.00523	0.4
167.01744	21.3
168.02034	0.9
171.02979	0.6
173.04568	8.7
174.04913	0.4
177.01923	1.2
179.03481	1.1
179.04826	0.5
179.99881	0.2
191.05632	100.0
192.05988	3.3
192.99658	84.9
193.99985	3.8
203.87010	0.3
210.08850	0.5
211.00740	2.5
215.05574	1.0
219.12378	0.5
229.01443	0.5
235.00633	0.4
254.07706	0.7
261.13354	0.5
265.05002	0.3
267.06702	0.4
272.08847	5.1
293.04541	0.3
294.04514	0.4
295.06110	0.4
306.07657	0.9
307.08203	0.3
311.05881	0.3
315.09433	0.3
337.09439	0.5
339.05121	0.9
351.07175	3.4
353.08817	2.3
367.04965	0.9
385.06000	61.6
386.01770	0.5
386.06360	6.0
466.09116	1.8
467.09631	0.8
484.09915	0.3
529.11279	0.5
640.14508	0.4
658.15674	8.8
659.15881	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	657.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95102	0.3
57.03452	0.9
58.52203	0.3
59.01374	1.4
61.98829	2.0
67.82863	0.4
70.04395	2.0
71.01376	1.3
78.95908	1.0
83.05022	0.5
85.02953	1.4
87.00845	0.5
88.98813	0.5
89.13760	0.3
93.03484	1.4
96.96012	0.8
97.06598	0.4
98.20033	0.6
99.04539	0.5
100.36336	0.4
101.02467	0.6
103.31085	0.4
107.05061	0.5
109.02979	0.8
109.06590	0.4
111.04539	1.4
113.02494	0.7
120.99662	0.8
121.06600	2.9
122.03732	0.8
123.04534	0.6
123.08194	0.5
125.02470	0.8
135.04587	2.2
135.08215	0.4
136.05324	38.2
137.02463	0.8
137.05582	1.9
137.09708	0.4
147.08214	1.1
148.05287	1.0
149.06116	5.0
150.03085	0.5
150.06880	5.0
151.03964	0.7
151.07610	0.5
151.62677	0.3
161.02458	0.5
162.06914	0.9
163.07663	1.1
164.04761	0.7
164.08492	2.0
165.09230	42.5
166.09583	2.7
169.12370	0.8
171.10301	0.9
173.04558	2.2
175.07526	0.4
178.82069	0.3
179.03520	0.6
185.11871	1.2
191.05635	3.4
195.10364	0.5
207.10281	1.1
209.11867	2.4
211.13414	1.4
271.02582	0.6
289.07217	0.5
293.21033	0.5
300.02621	0.3
311.22260	1.4
327.21854	0.8
329.23346	25.7
330.23639	3.5
360.03995	0.4
449.32666	1.4
450.33057	0.5
459.31244	0.7
460.31674	0.4
476.30817	0.5
477.32263	8.4
478.32413	1.5
494.32428	2.3
495.33249	31.7
496.33597	5.8
509.34903	1.3
537.34167	0.7
657.38684	100.0
658.39044	24.4
689.24713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
59.01382	2.5
61.98832	3.8
63.02382	0.5
67.41626	0.4
68.20308	0.4
69.03470	0.5
69.50967	3.2
69.51373	0.8
71.01389	1.4
73.96548	0.4
78.95924	1.2
83.01401	0.9
83.05041	0.9
85.02967	1.5
87.00898	0.8
88.98803	0.5
89.02435	0.8
93.03471	1.1
93.33605	0.5
96.96043	0.6
99.04536	1.5
101.02448	1.1
109.02965	0.7
111.04523	0.8
116.92870	0.7
120.99609	0.5
121.06631	1.4
122.03753	1.1
122.19028	0.5
125.02551	0.5
131.19910	0.5
135.04553	2.4
136.05325	38.3
137.02481	0.6
137.05728	1.4
137.09721	0.9
147.08185	1.2
148.05328	0.7
149.06105	8.6
150.06898	3.5
161.02481	0.6
161.04593	0.5
162.06905	3.2
163.04044	0.5
163.07663	1.8
163.11314	0.5
163.89299	0.4
164.08423	5.1
165.09241	17.1
166.09586	1.0
171.10219	0.6
173.04582	1.5
179.10637	0.4
183.13942	0.7
186.82758	0.4
191.05621	2.8
195.10414	0.5
207.10260	0.6
209.11885	4.4
211.13348	2.8
212.96806	0.5
226.11365	0.4
227.12926	0.8
265.21414	0.6
311.05423	0.5
329.23370	6.5
330.23721	0.8
345.78470	0.4
416.29517	0.9
431.31689	1.1
434.30289	3.8
444.35318	0.4
448.31952	0.6
449.32730	17.4
450.33182	3.2
459.22815	0.6
476.31363	1.4
477.32431	3.2
494.32550	3.5
495.33243	31.7
496.33499	6.6
657.38684	100.0
658.39020	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82942	0.3
53.23780	0.3
53.79929	0.3
54.54035	0.3
54.68899	0.3
56.75851	0.3
59.01375	1.1
63.02406	0.8
65.00338	2.2
70.11153	1.3
71.01392	0.7
83.01418	1.6
83.05029	1.1
89.02473	0.8
89.73775	0.3
95.01411	0.5
101.02446	0.6
107.01422	3.9
111.00763	0.3
124.01715	1.5
125.02481	2.1
133.02988	0.3
141.08777	0.3
145.02991	2.2
147.04462	0.3
148.65077	0.3
149.02460	0.6
150.99171	0.6
151.00395	12.4
152.01189	5.4
152.11295	0.3
160.01686	1.3
161.02472	2.6
161.04543	0.4
163.00417	1.1
163.11290	0.7
165.12958	0.8
169.01431	0.9
171.04520	0.3
171.10265	0.5
173.02394	0.6
174.03242	0.4
178.99878	8.3
180.00270	0.3
183.13908	1.3
188.01126	1.1
189.01933	2.2
191.10872	0.4
193.12318	0.4
199.04074	0.8
201.00092	0.5
201.01958	8.4
202.02548	0.5
205.51497	0.3
209.11856	23.9
210.12184	1.3
211.04066	0.6
211.13417	22.4
212.13739	1.2
214.99864	0.5
215.03429	0.6
216.03943	0.4
217.05045	0.4
225.05554	0.6
227.03448	1.1
227.12907	3.3
229.01436	0.9
230.02249	0.6
231.02931	0.7
235.08252	0.9
239.03537	3.4
240.04202	1.0
241.05119	0.6
243.03043	4.2
244.03334	0.4
245.04660	0.6
249.14774	0.3
251.03413	1.6
253.05035	0.6
253.09297	1.9
255.03015	1.1
256.03806	0.6
266.02118	0.4
267.02905	2.6
268.03671	0.8
269.04504	1.8
271.16812	0.3
273.03976	0.4
279.03058	1.1
280.03806	1.4
284.03174	0.7
294.01740	1.0
295.02518	12.3
296.03250	16.4
297.04028	12.9
298.04401	1.1
299.16489	1.1
308.03235	2.0
309.04126	0.8
311.02057	2.1
312.02695	0.7
313.03574	2.4
313.14420	1.0
322.01108	0.5
323.01944	6.8
323.05655	3.9
324.02643	3.0
324.06030	0.6
325.03458	0.8
325.14310	0.8
338.04260	0.9
340.02277	8.2
341.03064	27.5
342.03482	2.9
342.14771	1.4
343.15588	1.6
351.01270	0.4
351.05081	4.9
352.05652	0.4
353.02820	0.7
364.02228	1.3
367.00882	0.4
381.02460	0.4
433.16565	0.4
445.21243	0.4
447.22269	0.9
449.15909	0.4
450.16840	4.2
451.17279	0.7
477.15359	2.7
478.15884	0.8
494.15448	0.6
495.16531	1.8
496.17194	0.5
503.08188	1.1
657.21997	100.0
658.22375	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49138	0.4
61.98834	21.4
62.77695	0.4
67.54054	0.4
69.36735	1.1
69.37150	3.9
70.33420	0.4
73.00173	0.4
83.01373	0.5
93.03476	1.2
98.20585	0.7
100.99562	0.4
107.01398	0.9
109.02982	0.6
110.74224	0.4
113.84635	0.4
125.02490	0.7
132.02275	0.4
135.00890	0.8
135.17561	0.4
137.02394	0.5
143.05017	0.7
145.06644	0.4
150.83618	0.4
151.00410	1.6
159.04591	0.8
161.02464	0.8
163.00404	1.4
164.01102	0.8
167.04944	0.4
169.06633	0.8
171.04628	0.5
173.04655	0.6
178.99902	0.5
185.06091	1.9
187.04051	1.5
189.05606	0.5
191.05630	1.2
193.87733	0.4
197.06047	0.7
199.04045	0.7
211.04034	0.9
213.05507	1.7
227.03502	18.4
228.03864	1.0
229.05080	7.6
239.03497	1.3
240.04326	0.6
241.05164	0.7
246.97331	0.5
255.02989	35.6
256.03506	4.8
257.04575	5.2
267.03012	0.5
284.03275	54.3
285.04031	69.8
286.04434	6.1
293.94891	0.6
327.05270	0.7
341.47275	0.5
350.20230	0.5
593.15167	100.0
594.15521	20.7
594.22974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36290	0.5
53.34055	0.5
57.03442	1.2
59.01390	2.9
61.98831	5.7
63.02391	0.5
65.00327	1.8
71.01395	1.8
71.71236	1.0
73.92950	0.6
78.95916	8.0
81.03468	0.8
83.05016	1.2
85.02969	0.8
87.00865	1.0
88.98839	1.1
89.02470	1.0
93.03466	1.5
96.96967	0.6
101.02415	0.7
107.01381	0.9
109.02975	1.3
109.06586	0.8
110.00126	0.7
111.04533	1.0
113.02463	1.0
121.02954	0.6
121.06604	1.2
122.03780	1.2
123.04591	0.7
123.08186	0.9
125.02464	1.0
125.09757	0.9
133.02971	9.1
135.00864	0.9
135.04568	3.2
135.08144	0.9
136.05324	39.4
136.98822	2.5
137.02470	1.2
137.05637	1.3
148.05356	0.8
149.06091	7.0
150.06920	3.4
151.00345	3.4
152.99608	4.8
153.09303	0.7
155.03522	0.6
157.08762	0.9
162.06868	2.1
163.00404	3.4
163.04088	0.8
163.07588	0.9
163.11375	1.0
164.01222	2.0
164.08475	3.1
164.98341	1.7
165.09233	30.2
165.12880	0.8
166.09615	2.0
171.04539	1.0
171.10294	2.1
173.04623	1.3
178.06346	0.6
178.99844	1.8
187.03979	0.7
191.05617	4.1
198.99957	0.6
199.04018	12.1
200.04298	0.8
201.01920	2.6
203.03586	1.2
207.10309	0.9
209.11830	13.4
210.12177	0.9
211.13420	1.4
215.03534	1.4
218.41907	0.7
225.11333	0.6
227.03552	2.9
227.12843	1.5
228.04265	0.9
237.01891	0.7
241.01520	0.8
243.03027	4.6
244.03448	0.7
247.13348	1.1
255.02940	4.4
256.03409	0.9
262.91061	0.6
270.01749	1.6
271.02466	9.0
272.03018	0.7
285.03949	1.1
298.01202	1.3
299.01999	53.6
300.02719	31.9
301.03336	7.9
313.03418	3.0
314.04358	1.1
315.05142	0.8
319.66049	0.7
327.21793	13.7
328.22195	1.4
363.12039	1.6
375.38068	0.6
395.14365	0.8
429.30069	1.2
432.28998	2.2
433.29385	0.9
446.30508	0.7
447.31149	11.5
448.31558	2.3
461.07278	10.8
462.07849	3.6
463.08627	0.7
474.30078	0.8
475.30948	5.0
476.30740	0.9
492.31152	2.6
493.11456	34.9
493.31693	30.6
494.11685	6.7
494.32056	3.7
591.25922	2.1
623.28796	3.2
637.32251	1.8
655.17432	2.6
655.37207	100.0
656.20123	0.8
656.37518	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03466	0.4
59.01382	0.6
61.98829	0.6
63.11026	0.2
67.01917	0.6
69.03459	0.7
71.01393	1.1
71.05028	6.3
71.55295	0.3
73.02946	0.3
81.03481	0.5
83.01397	0.4
83.05039	0.4
85.02971	0.6
87.00916	0.3
89.02446	0.5
93.03466	4.6
94.21953	0.3
95.01382	0.5
95.05037	15.1
96.05386	0.6
97.02967	19.0
98.03248	0.6
98.20666	0.5
99.04546	0.4
101.02478	0.4
102.93674	0.3
107.01482	0.3
108.02203	0.4
109.02971	16.8
110.03320	0.7
111.04554	1.6
113.02480	0.3
115.00416	1.9
115.04030	2.9
121.02987	0.9
123.00922	0.8
125.02446	1.6
133.02982	0.9
134.03751	0.3
135.04546	13.5
136.04930	0.5
137.02467	3.5
139.04037	56.4
140.04361	2.4
149.02426	0.3
151.00375	2.5
152.01158	0.4
153.01959	43.0
154.02310	1.8
155.03545	0.7
161.02486	4.5
161.06068	0.3
165.01952	21.9
166.02319	1.2
169.01456	3.7
173.04622	2.5
179.00012	0.4
179.03526	9.9
180.03877	0.5
183.03006	100.0
184.03328	5.7
185.06122	0.3
187.13611	0.3
189.02147	0.3
190.02711	0.3
191.04050	0.4
191.05661	2.7
199.02525	0.4
205.05080	1.0
211.04019	0.3
227.07127	0.5
249.03929	0.7
255.10245	1.1
258.01630	0.3
271.04633	0.5
273.03964	1.2
281.08240	0.4
295.36987	0.3
301.03427	0.6
312.02588	0.3
317.02994	1.1
319.04605	24.7
320.04901	2.5
335.04178	0.7
335.07733	10.7
336.04538	0.3
336.07925	1.3
392.56909	0.3
427.08746	1.1
546.11890	1.5
546.62225	0.6
568.11548	1.3
593.12677	0.5
655.16943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03441	1.1
58.00604	1.8
58.27960	0.3
59.01382	32.5
60.01723	0.6
61.98833	2.3
68.99819	0.6
69.03468	2.1
71.01388	35.7
71.19227	0.5
71.19549	0.5
71.24976	0.3
72.01717	0.6
72.99320	3.5
73.02952	5.9
75.00871	0.8
78.95909	0.7
81.03477	1.8
83.01402	4.1
85.02966	7.1
86.00067	0.5
87.00883	8.7
89.02457	30.7
90.02801	0.4
91.04021	0.5
93.03482	0.7
95.01396	2.9
97.02971	6.5
99.00898	2.9
99.04519	0.8
101.02457	27.7
102.02809	0.5
103.00361	0.5
106.64850	0.4
107.01368	0.7
109.02966	0.8
111.00912	0.6
111.04526	1.2
113.02470	14.2
115.04039	0.7
119.03516	9.8
121.02950	0.4
123.04556	0.4
124.01650	0.4
125.02461	13.8
126.02779	0.7
127.04017	0.6
129.02023	0.4
131.03542	1.6
133.05070	1.0
137.02501	0.6
139.04015	1.1
141.01968	1.0
142.27202	0.3
143.03520	5.3
149.02469	0.3
149.04581	0.8
151.00371	2.4
152.99620	0.4
161.04576	7.0
167.03525	0.9
171.02950	0.4
178.99838	1.7
179.05624	5.6
181.05237	0.3
181.73492	0.3
185.04546	0.8
191.05592	0.4
199.06097	0.6
203.05627	0.5
204.88152	0.3
217.07156	0.8
221.06630	2.4
235.08226	15.2
236.08578	0.8
245.06711	1.2
253.09303	3.8
255.23291	95.3
256.23627	9.2
263.07703	1.3
269.24850	0.5
277.09286	1.0
287.07742	4.3
288.78146	0.3
305.08752	5.4
323.09714	1.9
348.02731	2.1
349.03156	0.6
351.19717	0.6
361.03506	0.5
361.11331	0.6
362.04861	0.4
379.12442	1.0
397.13522	100.0
398.13870	9.7
398.19113	0.6
415.14584	34.1
416.14871	3.7
451.20950	0.4
479.20831	1.0
489.19247	7.3
490.19846	1.7
506.19403	0.5
507.20172	6.0
508.20660	1.2
653.26196	11.5
653.36652	0.6
654.26379	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	653.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46051	0.1
57.03448	0.4
58.00590	0.2
59.01374	0.9
67.01880	0.4
69.77589	0.2
70.46822	0.6
71.01385	0.6
81.03420	0.2
83.05047	0.3
85.02445	0.2
85.02960	4.8
87.00879	1.2
93.03471	5.4
94.03773	0.3
95.61107	0.2
96.77351	0.2
99.04546	0.2
105.40202	0.2
109.02976	0.8
111.04561	1.0
119.05057	1.6
126.02818	0.2
127.04021	1.3
133.02971	0.8
134.03648	0.2
135.04546	4.8
136.04893	0.4
137.02472	3.9
138.02792	0.2
153.01999	0.4
155.03569	0.4
161.02475	1.6
163.04030	3.6
171.03014	0.4
173.04568	6.8
174.04971	0.4
177.01952	0.6
179.03496	3.7
180.03900	0.3
191.05627	100.0
192.05974	3.8
299.07724	0.5
337.09323	1.4
351.07388	0.2
352.07581	0.2
353.08801	19.1
354.09125	2.0
383.96167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89408	0.2
57.03450	0.3
59.01372	0.8
61.98833	0.5
65.03970	0.4
69.03439	0.3
70.86504	0.4
70.86870	0.4
71.01395	0.6
73.02961	0.4
81.03468	0.7
83.01388	0.5
83.05030	1.4
85.02950	0.2
87.00887	0.3
88.98817	0.5
89.02438	0.3
89.04003	0.4
91.05549	0.5
92.97879	0.2
93.03471	12.7
94.03805	0.5
97.94102	0.2
99.00918	0.3
99.04546	0.2
101.02464	0.4
106.04275	0.2
107.05057	1.8
108.02257	0.2
109.02969	1.9
111.04533	3.9
113.02459	0.4
117.03490	0.7
119.03577	0.2
119.05050	0.4
121.02977	0.6
121.48804	0.2
122.96870	0.2
123.04510	0.3
125.02438	0.3
132.02162	0.3
133.02980	8.1
134.03773	4.9
135.04544	100.0
136.03857	0.3
136.04881	4.7
137.02457	7.2
138.02769	0.2
146.03741	0.3
151.00388	0.2
151.04050	0.2
155.02383	0.3
155.03543	3.3
156.50012	0.2
159.04543	0.7
161.02464	29.3
162.02788	1.6
163.04027	0.3
165.05704	0.3
165.07056	0.3
172.05229	0.2
173.04601	1.3
173.06003	0.3
174.06812	0.2
175.03897	0.2
177.00194	0.3
177.01941	0.2
178.02788	0.4
179.03514	67.4
180.03857	3.5
181.25548	0.2
183.08154	0.4
185.06091	0.8
191.05577	0.6
193.05003	0.2
193.06642	0.9
209.06133	1.6
210.06798	0.3
211.07654	7.4
212.07990	0.5
214.36150	0.2
227.68137	0.2
229.05127	0.4
229.08646	1.0
235.07687	0.4
237.05769	0.2
251.07138	0.6
253.08806	0.3
255.06610	4.9
256.06949	0.5
261.54877	0.2
271.02325	0.2
273.07675	6.3
274.08054	0.7
279.06604	0.4
291.08487	0.3
299.02252	0.3
299.05615	1.0
300.02722	0.3
317.06668	10.6
318.07077	1.1
323.05667	1.7
324.05719	0.2
335.07727	30.5
336.08084	2.9
394.54858	0.2
447.13602	0.2
453.11755	0.4
455.09366	0.4
473.11020	0.8
479.09805	1.4
480.10065	0.2
491.11926	5.1
492.12198	0.7
534.04962	0.2
652.42371	0.3
653.15204	21.3
654.15576	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	653.1526
Annotation	Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)
Peak:m/z	Relative Intensity
54.15010	0.5
54.82700	0.4
57.03466	0.7
59.01386	3.1
61.45903	0.4
61.98839	4.5
65.03946	0.5
69.03460	0.7
69.63200	3.0
71.01386	2.7
71.09436	0.4
71.50019	0.5
73.02963	1.2
78.95937	0.5
81.03503	0.6
83.01402	1.4
83.05042	1.3
85.02969	1.2
87.00844	0.4
88.98819	2.3
89.02464	1.1
89.03957	0.7
91.05579	0.5
93.03471	21.7
94.03834	1.0
99.00890	0.4
99.04533	0.8
101.02454	1.6
102.36668	0.4
105.03457	0.6
107.05048	2.8
108.02181	0.6
109.02975	7.6
111.04517	3.9
113.02481	1.0
115.05556	0.5
116.68346	0.4
116.92878	1.0
117.03483	2.3
119.05051	1.4
121.02971	1.8
123.04545	1.9
125.02433	0.8
132.02208	1.1
133.02982	19.7
134.03796	4.9
135.04546	100.0
136.04872	4.6
137.02472	11.0
141.07132	1.2
145.02956	1.1
147.04541	1.2
151.00328	0.7
151.03978	0.6
155.03537	2.8
159.04562	3.6
160.05020	0.5
161.02469	78.8
162.02791	3.8
163.04070	1.0
165.07069	0.5
165.96765	0.4
172.05383	0.5
173.04576	2.0
173.06110	1.6
174.06900	1.8
175.04048	1.1
178.02727	0.5
179.03522	69.8
180.03867	3.2
181.06622	0.8
185.06087	4.1
186.06523	0.7
187.03992	0.7
187.07686	0.6
191.05614	2.6
193.06609	2.5
196.05251	0.5
199.07619	0.6
201.05656	0.6
201.09337	1.1
207.02844	0.4
209.06131	4.3
210.06790	1.4
211.07664	23.6
212.08017	1.7
213.05661	0.9
223.55470	0.5
227.07207	0.9
229.05203	2.1
229.08704	5.6
237.05637	0.7
245.08508	0.4
255.06616	11.5
256.06870	0.9
271.02530	2.5
271.06113	0.6
273.07678	35.0
274.07993	2.9
297.31589	0.4
299.01987	4.9
299.05646	5.5
300.02518	1.1
300.05927	0.9
301.03528	0.7
317.06671	33.4
318.07037	3.5
335.07736	56.1
336.08063	5.6
409.12643	0.4
411.11066	0.6
413.08725	0.5
421.24808	0.6
455.09894	0.9
491.11606	2.6
492.12030	0.7
503.16626	0.6
509.30023	0.9
551.30682	0.6
559.14764	0.5
573.00891	0.4
591.17096	1.6
609.16541	0.6
653.15253	10.5
653.33844	1.8
654.16077	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	651.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
56.59166	0.9
57.03455	78.8
58.03783	1.8
59.01385	54.3
61.98830	5.9
71.01397	26.8
71.70738	1.3
72.99300	1.1
73.02971	6.6
78.95940	1.0
81.03465	2.1
83.01408	6.4
85.02965	14.3
87.00887	2.0
88.98841	1.3
89.02451	5.4
93.03509	1.3
95.01398	2.9
97.02959	1.6
99.00911	3.6
99.04538	49.1
100.04878	1.4
101.02462	35.2
102.02826	1.1
106.53431	1.0
109.02972	2.2
111.00919	2.6
113.02472	14.5
116.92893	2.1
119.03486	1.3
125.02471	22.2
132.02217	1.7
134.03743	2.6
137.02446	1.5
143.03513	3.1
159.03009	1.3
160.01704	5.0
161.04561	4.8
171.10315	1.7
171.13950	1.2
173.04601	2.0
175.04019	5.2
177.23146	0.8
191.05591	3.7
193.05127	2.4
202.06635	0.9
209.11835	1.2
226.65834	0.9
283.75394	1.0
284.82907	0.9
299.26050	2.1
345.26559	1.3
345.30145	8.4
346.30527	1.4
489.34351	45.5
490.34683	6.4
507.35400	100.0
508.35895	13.8
537.94757	1.1
549.36401	9.9
550.36890	2.4
621.98474	1.1
651.28717	7.4
651.39758	55.7
652.29755	1.6
652.40057	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	649.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
69.99316	0.3
71.39607	0.8
72.99316	4.8
75.00881	0.4
85.02972	0.6
87.00887	13.0
88.01214	0.3
93.03474	0.7
103.00388	4.6
105.01945	1.1
109.02975	0.4
111.04523	0.3
112.98829	4.4
119.05048	48.3
120.05360	2.0
130.99892	1.2
134.03720	0.4
134.99529	0.3
135.04541	7.2
143.22511	0.3
149.00941	100.0
150.01280	2.9
158.74886	0.3
161.02455	0.4
163.04031	63.2
164.04361	3.5
179.03505	6.4
179.05089	0.3
191.05627	12.8
192.05952	0.7
224.04782	0.3
295.04614	22.6
296.04895	1.8
328.59897	0.3
353.04431	0.6
353.08789	12.1
354.09140	1.3
398.98666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68512	0.5
55.01878	0.9
57.03436	1.3
59.01381	9.2
65.00314	0.6
71.01392	6.2
71.53324	1.6
73.02971	1.5
81.03461	2.3
83.01401	9.5
85.02965	5.7
93.03465	3.1
95.01405	2.0
96.78242	0.6
96.96045	0.6
99.00893	0.8
101.02464	5.6
108.02193	64.4
109.02985	34.5
109.03548	0.5
110.03332	1.1
113.02466	3.1
121.02962	2.2
123.00875	1.2
123.04501	1.6
125.02451	3.9
133.02979	2.2
135.00983	0.9
135.04532	4.3
137.02455	0.7
151.04022	1.9
152.01180	74.2
153.01971	28.4
154.02313	1.1
157.53148	0.6
161.02489	1.0
161.04584	2.1
163.04025	2.0
165.01964	1.5
173.04587	1.5
177.01950	1.5
177.20282	0.7
179.03508	2.2
191.05627	2.6
204.41556	0.6
207.08752	2.0
217.05067	2.2
267.07724	0.8
269.08237	0.9
270.80551	0.6
297.05896	0.8
315.07230	32.4
316.07651	3.2
335.07901	1.7
357.08279	10.8
379.10492	1.0
397.11282	2.3
399.09299	2.0
423.09366	2.7
457.11636	0.9
631.18683	1.2
649.19995	100.0
650.20251	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	649.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53642	0.3
57.03437	0.4
57.21585	0.2
59.01381	2.9
60.99316	0.5
61.98841	1.7
65.03950	0.3
71.01389	1.7
71.71630	0.4
81.03462	0.3
83.01408	1.1
83.05038	0.3
85.02970	0.9
88.98824	4.1
89.02481	0.7
89.03990	0.6
91.05550	0.7
93.03474	1.9
101.02463	0.7
101.99224	0.3
107.05047	1.8
109.02978	2.2
110.03281	0.3
111.00880	0.4
111.04549	0.8
113.02480	0.8
116.89317	0.3
116.92896	1.0
117.03492	1.0
119.05057	1.0
121.02920	0.5
123.04583	0.3
125.02457	0.6
132.02202	0.5
133.02985	8.0
134.03769	7.2
134.06163	0.3
135.04553	100.0
136.04880	4.7
137.02461	3.0
145.02927	0.3
149.06061	0.3
151.00375	0.6
151.80913	0.2
152.01225	0.3
155.03505	0.5
160.04076	0.7
161.02478	15.5
162.02844	1.0
163.04056	1.5
173.04663	1.4
177.01892	0.3
177.05630	0.3
178.02673	0.4
179.03525	79.7
180.03870	4.4
184.84348	0.3
191.05630	2.5
192.05916	0.3
209.32011	0.4
243.02748	0.3
250.04549	0.3
272.09424	0.3
317.06668	2.8
335.07849	0.5
461.73135	0.3
505.26645	0.6
539.92493	0.3
559.14465	0.6
581.58728	0.3
649.25079	34.7
650.25531	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	647.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40269	0.5
57.03449	1.0
59.01394	2.4
65.68845	0.5
67.01885	3.8
69.03456	1.1
71.01385	3.8
71.69249	0.8
73.02947	0.5
81.03486	1.4
82.02981	1.1
83.05042	1.4
85.02958	6.7
85.06618	0.7
85.79121	0.5
87.00903	2.1
88.98830	1.5
93.03471	20.8
94.03799	0.9
96.96031	1.0
101.02482	0.7
101.68021	0.5
107.05064	0.9
108.02221	0.6
109.02980	2.1
111.00927	1.1
111.04548	4.9
113.02467	0.5
119.05413	5.3
124.52322	0.5
125.02468	1.2
127.04067	2.0
131.07170	0.8
133.02988	2.1
134.03777	2.8
135.04549	59.1
136.04845	2.8
137.02473	5.5
146.08261	0.8
147.04623	0.9
148.04932	0.6
149.02495	2.1
155.03522	4.9
161.02492	3.7
163.04007	0.8
166.02721	0.7
167.03563	1.1
173.04576	100.0
174.04893	5.1
175.04005	1.0
177.01967	0.6
179.03522	56.4
180.03879	4.1
189.05913	1.0
191.05635	57.5
192.06036	2.6
199.03973	1.5
207.06940	0.7
217.05013	0.6
241.05095	1.7
246.07698	0.9
247.07961	1.1
249.08029	2.4
249.11258	0.9
255.95255	0.5
274.07373	0.7
275.07471	0.9
285.04074	4.8
292.08246	1.8
293.08456	1.2
293.12595	1.0
335.12894	0.7
353.08798	88.8
354.09177	10.5
475.14853	1.1
475.55402	0.5
611.16284	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53871	0.4
56.25954	0.3
61.98826	0.5
63.02396	1.2
65.00325	3.2
70.61920	1.1
82.76505	0.4
83.01395	1.6
93.03436	0.7
95.01418	0.5
107.01409	6.3
108.02177	1.0
111.00892	0.4
121.02974	0.4
123.00884	0.5
124.01690	4.2
125.02464	0.8
135.01025	0.4
135.04488	0.4
137.02464	0.5
148.01653	2.3
149.02367	0.4
149.99600	0.7
151.00398	24.2
152.01199	4.9
163.00392	0.8
164.01175	0.5
169.01460	1.4
173.04469	0.5
173.32361	0.4
174.03000	0.4
177.01886	0.5
178.99887	6.9
179.03508	1.0
180.00450	0.4
189.01941	0.5
190.02591	0.3
191.05637	1.4
192.00652	0.9
193.01268	0.4
197.15578	0.5
199.04016	0.8
202.02608	0.6
203.03461	0.5
204.04190	0.8
211.03961	0.6
211.12863	0.3
214.00766	0.4
215.03499	1.5
216.04237	0.8
217.01424	0.9
226.02808	0.6
227.03513	4.7
228.04131	0.4
231.02893	0.4
232.03758	1.6
242.02151	0.6
243.02997	5.0
244.03645	0.7
245.01123	0.4
246.01709	0.5
247.02463	0.5
248.03238	2.6
254.02193	1.0
255.02992	5.8
256.03601	1.3
258.01736	0.7
259.02371	0.5
271.02475	16.4
272.03177	6.0
273.03586	0.5
282.01706	0.5
283.02451	1.4
287.01840	0.6
299.01999	1.8
300.02786	36.1
301.03381	6.4
303.16196	0.5
311.05585	1.0
315.01501	5.4
316.02136	2.4
327.01526	1.6
329.02823	0.4
369.02505	1.6
383.04123	0.7
454.16409	0.7
455.17255	1.8
458.83807	0.4
468.06439	0.5
482.15787	9.4
483.16495	9.0
484.16925	1.3
495.15506	0.4
645.22015	100.0
646.22302	22.0
670.27448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01378	1.6
63.02401	2.6
65.00327	5.9
69.40387	0.4
69.40793	2.3
71.01395	0.9
83.01397	3.5
89.02448	0.7
93.03490	0.7
95.01418	0.4
101.02452	0.5
107.01408	8.6
108.02245	0.3
109.02953	0.3
121.02975	0.7
123.00898	0.4
124.01688	1.1
125.02475	5.3
126.02811	0.3
133.02876	0.3
135.00932	0.4
137.02489	0.5
143.05077	0.3
147.00906	0.4
148.01675	0.5
149.02391	0.5
151.00391	28.0
152.01152	3.0
153.01952	0.4
158.03711	0.3
159.54243	0.2
161.02458	0.7
163.00389	1.5
163.04056	0.2
163.39047	0.2
164.01160	0.4
165.01945	2.9
166.02274	0.2
167.03525	0.3
168.82365	0.2
169.01448	7.3
170.01715	0.3
173.04622	0.5
174.03244	0.4
175.00388	0.8
176.01122	0.7
177.01944	0.7
178.99869	11.6
180.00267	0.5
183.04510	0.5
185.02441	0.4
186.03192	0.4
187.04045	0.8
189.01979	0.8
190.02669	0.4
191.05632	0.3
193.01433	1.0
195.04553	0.3
198.03271	0.8
199.03961	1.1
200.04703	0.4
201.01939	0.4
202.02853	0.3
203.03484	1.6
204.04216	0.4
210.03214	0.4
211.04065	1.0
212.04655	0.4
213.01956	0.5
214.02693	0.6
215.03574	0.3
217.01450	0.4
217.05087	0.6
224.04726	0.3
225.05531	0.2
226.02757	1.2
227.03497	3.0
228.04214	2.3
229.01466	0.3
229.04994	0.3
231.03058	0.5
238.02487	0.3
239.03465	0.6
240.04343	0.9
241.05051	1.0
242.02162	0.6
242.05782	0.7
243.02994	1.8
245.04366	0.3
251.03500	0.5
252.04242	0.9
253.01448	0.4
254.02281	1.1
255.02959	3.9
256.03680	2.9
257.04480	0.6
258.01498	0.2
259.02478	0.6
264.04276	0.2
265.01352	0.2
265.04971	0.4
266.02109	0.3
267.02890	0.8
268.03699	1.0
269.04739	0.2
270.05307	0.7
271.02457	4.6
272.03122	0.5
273.11172	0.3
278.05695	0.2
279.03009	0.9
280.03772	1.8
281.00873	0.5
281.04507	0.5
282.01682	3.0
282.04926	0.4
283.02454	2.5
284.03311	2.7
285.03986	0.7
285.14944	2.3
286.15192	0.2
293.04660	0.7
294.05255	0.8
295.02606	1.5
295.13397	0.9
296.03238	0.9
297.04007	0.8
298.04800	2.7
299.02023	3.1
299.05206	0.4
299.12912	2.1
300.02713	5.2
300.13446	0.4
301.03473	3.0
301.14417	0.8
302.15155	0.7
303.15918	1.7
308.03281	0.3
309.03900	0.4
310.01239	3.9
310.04697	0.5
311.01984	7.0
311.12997	0.4
312.02563	1.3
312.13556	0.5
313.14450	4.1
314.14874	0.5
315.16040	0.5
321.04022	0.5
321.11407	0.2
322.04880	3.4
324.02756	4.3
325.03281	1.0
327.01465	55.6
328.01801	5.8
328.05624	0.4
331.15497	5.1
332.15784	0.5
337.14297	0.3
338.04218	0.5
339.12402	3.1
340.02209	0.3
340.12842	0.6
345.16605	0.3
348.02542	0.3
351.16025	0.4
352.02274	5.9
353.02924	3.2
353.13943	0.4
354.03619	0.4
355.15503	5.4
356.16006	0.4
357.67426	0.2
362.04208	0.7
366.03845	0.6
369.17239	1.0
370.17441	0.3
373.16605	0.4
379.15598	4.1
380.15674	0.6
381.13403	0.4
393.17056	0.7
395.14951	2.0
396.15610	0.3
397.16611	8.6
398.17047	1.2
403.15448	0.4
419.15079	0.6
421.16510	4.4
422.16998	0.7
423.14465	1.9
437.16003	4.7
438.16534	0.9
447.14417	2.5
448.14639	0.4
453.23059	0.3
465.15540	100.0
466.15903	15.9
483.16364	1.3
617.25366	1.5
645.21997	36.7
646.22241	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	645.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32294	0.6
52.18703	0.7
59.01375	4.0
61.98834	13.1
64.21494	0.8
71.01402	1.7
77.17658	0.8
78.95927	1.3
81.03452	0.7
83.01412	1.9
85.02983	1.3
87.00895	0.8
88.98825	1.0
89.02464	1.7
89.78033	0.7
93.03503	2.3
95.05074	1.3
101.02443	1.6
108.02211	2.5
109.02975	40.7
110.03336	0.9
116.92886	0.9
119.05000	1.0
121.03024	2.1
122.03784	0.9
123.04545	17.2
124.04890	0.7
125.02522	1.7
126.41181	0.7
126.47124	0.7
128.27043	0.8
130.44379	0.6
133.02969	4.3
135.04529	4.3
137.02463	1.7
145.03027	1.2
147.04564	1.6
148.93655	0.7
149.02509	1.3
151.04031	13.4
159.04536	1.5
161.02444	8.6
161.06104	0.7
162.03302	0.7
163.04120	1.1
165.01900	0.7
167.03503	1.4
169.03081	1.2
173.04579	1.7
175.04033	1.0
177.01956	12.9
179.03545	3.2
185.02513	0.7
187.04022	2.7
188.04692	1.0
189.01959	14.7
189.05605	1.1
190.02686	3.7
191.03520	2.8
191.05649	4.5
193.05101	2.0
197.02464	1.3
198.03275	2.4
201.01968	2.5
203.03543	2.2
203.07224	0.8
205.05061	0.9
209.02666	0.8
211.04028	1.0
213.01927	1.7
213.05476	0.9
214.02678	5.0
215.03514	14.0
216.00681	2.5
216.03973	1.2
217.01442	10.2
218.02000	1.4
218.05879	1.0
219.02997	4.2
225.01982	1.4
227.03497	1.1
227.07233	1.3
229.01465	9.9
229.08694	0.9
231.03038	3.3
239.03467	3.4
240.04131	0.8
241.01431	1.7
242.02184	30.1
242.04578	1.5
243.02879	10.0
246.01721	4.6
246.05243	1.4
247.06284	1.1
255.03000	4.0
255.06651	1.1
257.04544	1.6
261.03943	0.9
267.06827	0.9
269.00897	15.8
269.08243	0.8
270.01242	1.5
271.02374	1.0
273.04056	3.8
273.07767	0.8
274.01205	26.4
274.04578	2.5
275.01477	1.9
279.06668	1.0
281.04581	5.9
282.05112	1.0
283.02429	0.9
284.03262	8.8
285.03976	1.7
289.07169	2.5
295.06082	1.0
297.07742	3.2
300.02747	2.6
305.04678	1.0
307.06189	2.0
309.04077	2.3
323.05569	1.9
333.04028	1.3
337.03635	0.9
339.05368	1.5
341.06677	63.5
342.07083	6.4
349.07217	1.7
351.05167	2.6
367.08392	1.3
371.07602	1.5
379.04681	1.8
383.07755	19.0
384.08105	3.3
393.06171	100.0
394.06519	13.5
400.83514	0.7
425.08578	2.1
451.10284	14.6
452.10492	2.1
461.08975	1.8
481.11111	1.0
493.11359	13.7
494.12143	1.2
503.09845	80.2
504.10233	13.1
535.12964	4.0
601.36163	0.8
603.63440	0.9
613.13666	21.6
614.13940	4.0
645.16260	26.4
645.27533	1.3
645.38861	0.9
646.16455	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	645.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76158	0.9
59.01382	3.4
61.98834	13.8
61.99141	1.4
63.55102	0.8
69.55778	0.8
69.63489	0.9
69.68694	6.7
71.01387	1.8
78.95929	1.0
81.03461	1.5
82.41587	0.8
83.01412	1.3
88.98827	1.9
89.02458	0.9
93.03477	2.5
95.05066	1.8
96.95995	1.1
108.02192	2.4
109.02975	53.9
110.03291	1.2
113.02431	1.0
121.02964	1.4
122.03709	1.0
123.03719	1.6
123.04540	17.8
124.04897	0.9
125.02474	1.6
133.03035	4.6
134.03720	1.0
135.04536	5.2
137.02473	2.7
145.02946	2.2
147.04500	2.2
151.04034	16.3
152.99767	1.0
153.87175	1.0
159.04512	1.7
161.02473	9.7
161.04491	1.0
163.04033	2.6
165.01921	1.8
165.05647	1.0
173.04697	1.7
177.01952	18.1
179.03548	3.5
187.04034	3.0
189.01956	26.6
190.02791	5.6
190.04294	0.9
191.03668	5.5
191.05467	5.4
193.05135	1.9
195.06631	1.2
197.02489	1.5
198.03200	1.7
201.01984	2.1
203.03490	3.6
213.01860	2.0
214.02744	4.0
215.03557	9.9
216.00644	4.2
217.01427	24.8
218.01999	2.5
219.02992	12.8
226.12672	1.0
229.01439	8.7
229.04939	1.0
231.02997	9.7
239.03522	3.0
241.01410	2.2
242.02220	18.7
243.02965	15.9
246.01801	1.9
255.03020	5.4
261.04132	2.2
269.00903	13.6
270.01541	1.0
271.02469	3.5
273.04047	12.4
274.01230	17.7
274.04214	1.2
281.04446	1.1
284.03235	8.2
285.03818	1.8
287.05588	1.1
289.07266	3.6
297.07779	1.6
300.02722	3.7
301.03632	4.9
309.03992	1.5
323.05334	1.5
341.06693	100.0
342.07047	9.5
349.06967	1.1
351.04974	1.1
379.04626	1.5
383.07858	5.8
393.06180	84.4
394.06567	10.5
407.07196	1.0
412.26846	1.0
423.17456	1.0
425.08826	10.7
426.09036	1.5
451.10355	69.3
452.10669	10.0
461.08765	1.2
493.11362	4.2
503.09845	50.3
504.10190	8.9
535.12451	8.9
536.12549	1.9
601.35876	1.3
609.13422	2.8
613.13684	12.7
614.14600	2.7
645.16199	18.5
646.16882	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	645.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43237	1.0
53.54966	1.0
61.98824	1.6
69.55830	2.1
69.56229	7.4
70.48788	1.0
88.98811	1.0
107.88014	0.9
109.02984	1.2
121.02972	1.6
125.03294	1.0
125.61340	0.9
137.02646	0.8
145.83986	0.9
151.00412	9.7
163.00351	2.2
164.95016	1.0
178.99895	5.4
184.65120	1.0
191.05733	2.1
216.04382	1.3
226.02754	1.3
227.03334	2.2
241.01183	1.1
243.02969	6.8
254.02200	2.1
255.02992	22.5
256.03400	1.8
257.04559	3.4
271.02493	42.3
272.02930	4.2
273.03928	1.5
283.02652	1.2
299.01947	1.8
300.02759	84.4
301.03485	41.4
302.03912	2.8
344.95764	1.0
399.35559	1.1
447.09229	5.6
523.39471	1.1
596.67645	1.0
607.12842	1.3
609.14789	100.0
610.15167	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	645.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01372	4.2
61.98835	11.4
64.38298	0.8
71.01379	3.4
71.71545	1.7
76.54675	0.9
78.95892	1.1
83.01408	1.5
85.02947	1.7
86.10371	1.0
88.97350	0.9
89.02465	1.9
93.03465	2.6
95.05083	1.6
96.96044	1.0
99.04503	1.5
101.02483	2.3
108.02187	3.1
109.02976	53.6
110.03322	2.2
114.50551	0.8
115.92061	2.8
119.05030	1.0
121.03022	2.6
123.04541	21.4
124.04861	1.5
125.02489	1.7
128.27443	1.0
133.02975	3.9
135.04539	3.7
137.02499	2.2
145.02968	1.9
147.04575	2.9
149.02472	1.9
150.03287	1.9
151.04027	19.0
153.60730	1.0
158.03758	0.9
159.04532	1.6
161.02510	8.1
163.04057	1.5
165.01920	3.4
167.03394	1.1
169.02943	1.5
173.04579	2.4
175.04062	2.3
177.01949	15.1
178.02348	1.4
179.03519	3.0
187.04036	2.1
189.01968	26.3
190.02719	7.3
191.03503	5.0
191.05504	6.2
193.05035	1.8
197.02457	2.0
198.03268	2.3
201.01984	2.6
203.03528	4.3
213.02025	1.7
214.02686	5.3
215.03482	11.3
216.00606	4.7
217.01459	25.8
218.01993	3.0
219.02998	10.7
225.05646	1.3
229.01466	8.4
231.03014	8.1
239.03453	5.2
240.04143	1.5
241.01440	2.0
242.02222	26.2
243.02988	20.0
245.04446	1.2
246.01741	2.7
247.02167	0.9
255.02882	5.8
257.04520	1.3
261.04074	2.1
269.00931	18.4
271.02408	3.6
273.04077	10.7
274.01224	20.2
274.04395	2.5
275.01508	1.3
278.49158	1.0
281.04498	2.1
284.03314	8.5
285.03751	1.6
289.07175	2.9
297.07617	2.0
299.05597	1.2
300.02792	1.9
301.03577	2.7
303.05118	1.4
309.04132	1.9
315.05118	1.7
323.05676	2.3
333.04068	1.9
341.06686	100.0
342.07166	9.8
349.07050	1.4
375.04892	1.4
383.07898	6.4
384.08188	1.1
389.16287	1.0
393.06177	97.0
394.06561	13.0
425.08704	8.9
447.09485	1.2
451.10358	60.6
452.10764	9.9
493.11371	6.1
498.45773	1.0
503.09845	63.4
504.10291	11.6
535.12286	9.5
545.16248	1.0
613.13562	15.0
613.22565	1.7
614.14105	4.6
645.16022	17.2
645.27466	1.8
645.38477	1.5
646.16937	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	643.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03454	0.6
58.00594	0.3
59.01380	3.0
61.98823	1.1
68.02229	0.2
69.03463	0.6
71.01397	2.9
73.02976	0.8
80.02684	0.4
81.03461	1.1
83.01390	1.0
83.05033	3.5
84.02167	0.6
85.02954	1.2
87.00903	0.5
88.98767	0.4
89.02434	1.8
93.03466	1.1
95.05030	0.6
96.95987	0.3
98.19833	0.5
100.55180	0.3
101.02447	2.8
109.02991	0.4
111.04525	0.5
111.08257	0.3
113.02454	1.3
116.92904	1.4
123.04531	0.9
125.02489	1.7
125.06100	0.4
126.05374	0.3
135.04517	0.6
135.08170	0.7
137.02458	0.4
141.09259	0.4
143.03534	0.5
145.05055	0.4
151.11372	0.3
153.09268	0.5
153.12860	1.1
161.04570	1.3
163.11302	2.6
165.12843	1.6
167.03493	2.1
169.12347	6.0
170.12660	0.3
171.10347	0.8
173.04617	1.3
179.03525	0.4
179.05649	0.5
179.10786	0.6
181.12292	0.5
189.01976	0.6
191.05641	2.7
191.10773	0.8
197.11844	100.0
198.12184	6.1
199.13422	0.9
201.05476	0.4
201.11339	1.0
209.11842	77.6
210.12183	4.9
211.13365	0.4
217.01476	0.5
223.13397	0.6
227.12886	13.7
228.13271	1.0
235.08200	3.5
235.13388	0.7
236.08655	0.3
253.09279	8.1
254.09819	0.4
283.13699	0.3
289.07211	0.4
371.22302	0.3
389.23425	0.8
407.24069	0.3
433.20844	4.7
434.21143	0.6
445.20856	1.4
446.21274	0.4
463.22232	0.3
481.18579	1.5
607.31421	1.0
608.32678	0.4
615.23993	0.4
625.32495	1.2
642.79810	0.4
643.33746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
57.03435	0.3
58.00599	0.2
59.01384	2.3
59.75499	0.1
61.98830	0.5
67.01916	0.1
69.03457	0.4
71.01387	2.5
71.05026	0.1
72.99331	0.1
73.02941	0.3
80.02683	1.0
81.03462	1.2
83.01389	0.5
83.05035	4.5
84.02187	0.7
85.02954	0.7
87.00900	0.4
89.02468	1.7
93.03466	0.3
95.01408	0.2
95.05034	0.6
97.02950	0.2
97.06608	0.2
99.00897	0.1
101.02460	2.3
109.00251	0.1
109.06628	0.1
111.08179	0.1
113.02474	1.4
113.06160	0.1
116.92894	0.4
119.03519	0.5
125.02500	0.2
125.06116	0.6
125.09732	0.3
131.03487	0.1
133.05190	0.1
135.04561	0.2
135.08197	0.6
137.02460	0.1
141.09236	0.2
143.03549	0.2
145.05087	0.3
147.11826	0.1
151.11337	0.2
151.42291	0.1
153.09265	0.3
153.12877	0.9
161.04573	1.1
163.11311	3.4
164.11679	0.3
165.12875	2.0
165.14241	0.1
166.13242	0.1
169.12369	3.8
169.13831	0.2
170.12718	0.3
171.10292	1.0
173.04631	0.2
173.09761	0.1
179.05615	0.4
179.10797	0.5
181.12347	0.5
191.05647	0.5
191.10796	0.9
197.11850	67.0
198.12195	4.3
199.13481	0.6
207.10220	0.2
209.11847	100.0
210.12184	7.0
210.15167	0.2
211.13434	0.2
215.82468	0.1
227.12904	14.0
228.13217	1.1
235.08223	2.4
235.13382	0.7
239.12897	0.1
253.09283	8.3
254.09732	0.3
305.80496	0.1
361.24167	0.1
371.22256	0.2
389.23398	0.6
407.24503	0.2
415.19531	0.4
433.20789	1.8
434.21002	0.2
445.20837	1.5
446.21149	0.2
463.21838	0.4
586.16315	0.1
607.31018	0.8
625.32452	0.7
626.32562	0.2
643.33868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
63.02395	2.1
65.00331	6.0
68.99839	0.6
70.46748	1.4
71.92136	0.5
72.49734	0.5
72.86555	0.6
83.01401	3.9
85.02920	0.4
95.01427	0.7
96.74021	0.4
106.86424	0.5
107.01411	10.9
107.05072	0.5
108.01758	0.5
111.00901	1.9
123.00894	2.0
124.01697	11.4
125.02485	8.4
133.02975	0.7
135.04518	2.6
139.00372	1.9
141.01999	1.6
145.02988	1.4
151.00401	43.5
152.01189	51.3
153.01781	2.8
161.02475	7.3
162.03236	3.2
163.00475	1.1
163.04044	7.3
169.01408	4.5
173.02448	1.2
175.03979	0.9
178.99889	41.9
180.00255	3.0
187.03899	0.5
188.01111	0.5
189.01958	5.3
190.02739	1.4
190.99792	0.6
191.03511	3.4
192.00627	2.1
193.01411	1.0
199.04042	0.8
207.02924	1.1
217.01408	3.0
227.03561	1.0
228.04379	0.5
239.03328	0.5
240.04199	0.6
241.05154	0.6
243.02950	0.9
256.03818	1.1
257.04623	0.7
267.03058	0.8
269.04428	0.8
270.05304	0.5
271.02582	2.8
272.03198	0.9
279.02972	0.6
280.03888	0.9
281.04541	0.6
285.04083	2.4
287.16412	0.6
289.18115	1.5
295.02441	1.3
296.03299	4.0
297.04031	8.0
297.14890	1.0
298.04440	1.0
299.02048	4.9
299.16495	0.7
300.02725	8.4
301.03381	0.5
313.03683	0.9
314.04321	8.1
315.05002	2.6
315.15891	0.6
316.16782	0.8
317.17563	5.7
318.17746	0.9
324.02719	1.3
325.03555	2.7
325.14581	1.0
342.03705	0.6
343.04651	4.1
343.15543	9.2
344.16003	0.6
348.02878	0.9
400.16867	0.5
433.16345	1.1
451.17563	2.9
452.17798	0.8
461.16168	2.0
468.17798	0.9
469.18735	17.6
470.18988	2.0
479.17383	1.2
489.10419	16.1
490.10623	1.8
615.24646	100.0
616.24957	19.3
625.23108	4.3
643.24017	9.3
644.24585	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	643.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.8
63.02401	2.7
64.12424	0.3
65.00332	6.0
66.62634	0.3
83.01398	4.1
95.01418	0.7
97.59480	0.3
107.01414	10.7
107.05103	0.4
110.00141	0.5
111.00903	1.4
117.03498	0.5
121.02985	0.4
123.00925	1.3
123.04540	0.5
124.01691	10.7
124.02597	0.6
125.02482	7.7
126.02811	0.5
129.37349	0.3
133.02992	0.5
135.04532	1.9
137.02446	0.4
139.00391	1.9
141.01993	0.9
144.26601	0.3
145.02972	1.0
147.04555	0.6
148.01698	0.5
149.02466	0.5
151.00400	43.6
152.01189	48.7
153.01826	2.8
159.04533	0.3
161.02481	7.0
162.03236	3.1
163.00374	0.7
163.04051	7.2
169.01453	4.8
173.02461	0.8
173.04605	0.4
174.03273	0.4
175.03987	0.9
178.99887	41.9
180.00226	2.2
181.01430	0.3
183.04601	0.4
188.01175	0.4
189.01971	4.4
190.02667	1.3
190.99974	0.4
191.03496	3.0
191.05255	0.4
192.00699	1.8
192.03688	0.3
193.01447	1.5
197.11830	0.6
199.04070	0.6
203.03479	0.6
205.01646	0.5
207.03047	1.1
209.11824	0.5
211.04066	0.5
217.01416	2.2
225.05455	0.4
227.03526	1.0
228.04198	0.4
239.03545	0.7
240.04170	0.4
241.05038	0.7
243.02972	1.1
250.97871	0.3
252.06776	0.4
253.05081	0.4
255.03059	0.7
256.03748	0.9
257.04605	0.4
267.02960	0.6
269.04462	1.0
271.02490	3.0
271.05582	0.5
272.03119	0.4
279.02927	0.5
280.03897	0.4
281.04517	0.6
285.04117	2.5
287.16693	0.5
289.18216	2.1
295.02499	1.1
296.03268	3.8
297.04050	7.2
297.14932	0.3
298.04498	0.7
299.01984	5.0
299.16547	0.8
300.02786	7.3
301.03177	0.6
313.03598	1.0
314.04343	5.4
315.05023	2.1
315.15988	0.7
316.16656	0.9
317.17581	4.9
318.17889	0.3
324.02777	1.0
325.03522	2.2
325.14438	0.5
342.03674	0.5
343.04544	3.5
343.15540	10.9
344.04840	0.6
344.15793	1.1
348.02844	0.8
433.16550	0.7
451.17630	2.3
452.17819	0.6
461.10239	0.4
461.15918	2.2
468.18002	0.9
469.18683	15.3
470.19089	2.1
479.17068	1.3
489.10419	15.4
490.10754	2.5
550.35272	0.3
615.24646	100.0
616.24976	21.3
625.22894	3.7
626.23474	0.9
643.24066	10.1
643.33472	0.5
644.24670	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	643.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
57.56224	0.3
59.01388	0.4
63.02405	3.0
64.72531	0.3
65.00330	5.0
68.99831	0.6
70.99161	0.6
70.99504	0.8
74.48281	0.3
77.46041	0.3
83.01402	3.9
95.01418	1.2
107.01405	9.7
107.05048	0.7
109.02937	0.3
109.73432	0.3
111.00920	1.6
123.00925	1.6
124.01680	9.8
125.02488	8.3
133.03009	0.6
135.04535	1.7
137.02473	0.5
139.00397	2.0
141.02005	1.0
145.02972	1.0
145.94019	0.3
151.00395	37.8
152.01183	47.2
153.01955	2.4
161.02467	6.4
162.03258	2.6
163.00461	0.9
163.04018	6.3
164.01126	0.4
164.04387	0.4
169.01447	4.2
173.02464	0.8
174.03226	0.4
175.04025	0.8
176.01233	0.3
178.99884	38.4
180.00142	1.9
181.01439	0.4
189.01944	3.9
190.02785	0.6
190.99896	0.4
191.03563	2.8
191.05576	0.3
192.00644	2.0
193.01413	1.0
199.04047	0.6
203.03513	0.4
207.03038	1.0
211.04024	0.4
211.13412	1.2
212.13788	0.5
215.03546	0.5
216.25159	0.4
217.01437	2.2
225.05605	0.4
227.03575	0.9
229.05112	0.8
239.03403	0.6
241.05167	0.6
243.03023	0.6
252.06775	0.4
253.04985	0.6
254.58461	0.4
256.03717	0.5
267.03024	0.4
269.04660	0.9
271.02515	2.9
272.03229	0.4
281.04587	0.5
285.04089	2.0
286.04788	0.6
287.16531	0.8
289.18082	1.7
295.02563	1.5
296.03229	3.1
297.03976	8.1
297.14984	0.5
298.04327	1.0
299.01984	4.6
299.16708	0.7
300.02747	7.4
301.03186	0.5
313.03467	0.9
314.04306	5.7
315.05075	1.6
315.16043	0.7
316.16730	0.8
317.17581	5.2
324.02664	1.1
325.03400	2.1
342.03693	0.8
343.04651	4.2
343.15512	9.8
344.04886	0.4
344.15872	1.2
348.02792	0.8
433.16403	0.4
436.28156	0.4
451.17554	1.8
452.17944	0.5
461.16144	2.5
468.17715	1.6
469.18716	15.2
470.19113	2.5
478.16083	0.4
479.16852	1.1
489.10385	16.5
490.10770	2.2
615.24622	100.0
616.24976	21.2
625.23114	4.9
626.23157	0.8
643.23956	11.9
644.24329	1.8
654.49884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.5
59.01383	66.0
60.01723	0.6
60.24952	0.2
61.98835	2.2
66.71150	0.2
71.01392	1.3
71.05051	0.3
71.69917	0.3
73.02951	0.3
81.03468	0.3
83.01415	0.5
85.02944	0.7
88.98818	0.6
89.02464	0.5
90.32266	0.3
93.03491	1.1
101.02473	0.8
105.03406	0.4
108.02251	0.4
109.02981	0.6
111.50016	0.3
113.02469	0.3
115.02937	0.3
116.92913	0.4
123.04539	0.8
124.83722	0.3
125.02477	0.4
133.02983	0.3
135.04539	1.7
137.02455	1.0
139.03984	0.3
145.02992	0.3
151.04034	3.4
151.05128	0.5
155.03432	0.3
161.02448	3.0
161.04555	0.6
169.94305	0.3
173.04556	1.3
176.04823	2.3
177.02005	0.3
179.03523	32.2
180.03867	1.8
191.05627	2.2
191.07176	1.0
193.04991	0.3
194.05859	38.5
195.06248	2.1
209.08208	100.0
210.08545	6.8
215.83699	0.3
285.04053	0.6
287.10785	0.3
301.03348	0.4
419.17136	9.0
420.17334	1.6
431.09985	0.3
447.10236	0.3
496.31412	0.3
497.32129	0.3
515.12152	0.7
628.03845	0.3
641.25378	0.6
641.36023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01381	2.6
60.99306	0.9
61.98828	1.6
64.36330	0.6
67.01900	3.0
67.34789	0.7
69.03455	0.7
71.01388	3.4
71.70970	1.0
73.42671	0.7
74.02457	0.8
81.03448	1.3
83.01367	0.5
83.05032	1.1
85.02958	11.4
85.03449	1.0
87.00898	2.4
93.03469	17.9
94.03807	0.9
99.04536	0.9
107.05056	0.6
109.02971	6.0
111.00890	1.2
111.04536	4.0
113.02473	0.6
113.79957	0.6
119.05036	2.0
119.24043	0.5
121.21455	0.6
123.04515	2.1
125.02452	1.6
127.04060	1.7
133.02968	2.4
134.03766	2.0
135.04544	35.1
136.04889	2.0
137.02493	4.3
148.97382	0.5
151.04031	1.7
151.70064	0.5
155.03539	3.6
159.04506	0.7
161.02446	4.0
163.04018	2.2
171.02975	0.7
171.60402	0.6
173.04573	61.9
174.04890	3.4
177.01932	3.4
179.03516	36.9
180.03874	2.0
187.11659	0.6
189.01973	5.4
190.02713	0.7
191.05627	100.0
192.05975	5.9
205.05092	1.0
216.00703	0.9
217.01456	3.5
218.01872	0.7
219.02907	1.5
219.12488	1.1
231.03011	1.7
233.04581	0.7
245.08072	1.1
261.08832	1.3
261.13351	1.5
263.17670	0.6
289.07236	3.1
299.05811	0.8
337.09125	0.7
341.06674	12.2
342.07129	1.5
352.07751	0.8
353.08780	53.9
354.09064	5.5
451.10333	21.8
452.10715	3.3
486.72568	0.7
643.16406	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	643.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.98828	2.0
63.02396	2.9
65.00332	7.5
70.44924	1.2
71.69898	2.0
83.01373	4.1
107.01408	12.8
107.05067	1.8
124.01637	5.1
125.02499	7.7
125.94371	1.1
132.70509	1.2
135.04482	1.9
137.02451	1.3
151.00397	47.7
151.59286	1.1
152.01178	13.8
161.02432	3.0
162.03209	2.3
163.00275	2.4
163.03973	1.7
169.01363	4.9
173.04483	2.7
175.03967	1.3
178.99892	16.9
186.33559	1.1
189.01958	1.2
191.05553	2.5
192.00615	2.4
193.01239	1.3
211.13368	2.2
213.05457	2.1
229.04868	1.8
231.57796	1.4
241.05130	3.0
243.02925	2.5
255.03050	1.2
256.03653	2.2
257.04477	4.6
258.04990	1.3
268.03659	1.5
269.04565	6.8
271.02466	13.8
285.04062	11.4
286.04645	2.4
295.02365	2.9
297.04034	2.7
299.01727	2.6
300.02725	2.9
313.03619	10.1
314.04291	24.8
315.04605	2.8
322.04758	3.0
323.01874	2.9
327.05023	2.7
341.02957	3.3
342.03799	21.6
343.04559	8.3
346.03348	27.4
347.03387	3.2
356.05392	2.1
369.06122	5.5
384.07999	1.6
397.08896	1.6
423.17862	2.5
463.17661	37.7
464.17886	5.3
468.17889	51.8
469.18478	26.2
470.18607	2.8
479.16986	4.4
481.18356	2.7
489.03632	1.6
489.10391	31.0
490.10400	5.2
497.21683	1.6
615.24622	100.0
616.25012	22.0
625.22058	1.8
643.23944	67.2
644.24329	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	641.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
57.21024	0.4
59.01373	1.0
61.98853	0.7
63.02393	3.4
65.00326	6.8
69.49316	1.4
69.49739	2.9
71.01360	0.9
74.42940	0.4
83.01402	4.6
89.02436	0.8
89.85633	0.4
93.03478	0.5
95.01388	1.4
98.20668	0.9
101.02445	0.4
107.01411	9.6
109.02988	0.7
111.00906	1.5
114.05627	0.9
123.00919	1.6
124.01692	10.4
125.02516	3.1
139.00362	1.0
141.01947	1.0
151.00394	58.8
152.01180	39.2
152.02956	0.6
153.01984	5.9
163.00385	0.8
163.03996	0.5
164.01167	0.5
165.01964	1.2
169.01456	8.4
173.04510	0.7
178.99876	31.3
180.00266	1.2
181.01462	1.0
185.02524	2.4
191.05617	1.6
193.01590	0.6
198.03270	1.2
202.61409	0.4
211.13460	4.1
213.01950	2.4
214.02695	1.0
223.03995	0.4
225.01956	0.7
227.03520	0.5
248.04810	0.7
262.47037	0.4
278.02277	0.8
280.03772	0.7
291.02875	1.2
292.03400	1.0
293.04520	1.5
295.02472	1.7
296.03351	0.9
297.14966	8.9
298.15311	0.9
301.29254	0.4
304.03613	0.6
307.02286	0.7
309.03934	1.0
309.14984	1.1
311.16467	0.7
317.14023	0.5
319.02570	3.0
320.03107	1.0
321.04288	0.9
325.14426	1.8
326.14975	0.4
335.02002	0.6
335.05658	0.8
335.12921	0.5
347.01843	3.7
348.02765	51.2
349.03217	6.1
350.03745	0.4
351.01315	0.7
361.03497	2.5
433.16467	0.9
451.17401	0.9
461.16080	81.4
462.16406	12.3
469.18698	0.7
478.16348	8.1
479.17032	4.8
489.21259	2.6
490.21661	0.6
515.18945	0.6
613.23071	1.9
641.22534	100.0
642.22919	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	641.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.4
69.67342	1.7
69.67752	4.2
69.96877	0.6
73.08129	0.7
75.67721	0.6
78.95961	0.7
83.01394	0.7
87.00909	0.8
93.03471	0.9
98.20604	1.5
99.72299	0.7
107.01446	0.9
112.76983	0.7
125.02458	1.5
134.89543	1.0
143.28551	0.7
151.00417	3.0
153.74672	0.6
163.00345	0.7
173.04593	1.6
176.01199	0.9
176.79517	0.8
191.05640	0.9
211.04176	0.8
211.13423	13.4
224.05006	0.8
235.08163	0.9
238.06367	1.1
240.04343	1.3
253.05125	1.0
264.04269	2.0
265.05045	1.4
280.03796	4.4
281.04498	1.1
292.03824	2.2
293.04391	1.1
294.05490	0.9
308.03278	7.7
309.03818	3.2
309.07394	0.9
315.44043	0.8
336.02579	0.7
337.03476	1.7
338.04309	2.8
389.17285	1.0
393.16812	0.9
404.16153	1.7
405.16840	3.3
407.18622	1.2
421.16534	11.6
422.16840	2.0
423.18088	1.4
433.16467	4.2
447.22223	1.1
449.16071	33.9
450.16617	10.1
451.17389	3.1
461.16168	2.0
478.16333	10.7
479.17123	100.0
480.17477	15.9
641.22552	71.5
642.22845	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	641.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30781	0.2
57.03438	0.3
57.98566	0.2
58.14099	0.2
59.01381	100.0
60.01717	0.9
61.98834	2.5
71.01392	0.6
71.09466	0.5
71.09801	0.3
78.95952	0.2
83.01395	0.4
85.02967	0.5
87.00881	0.3
88.98816	0.7
93.03495	0.3
98.60560	0.2
101.02480	0.6
102.33093	0.3
106.89505	0.2
107.65318	0.2
109.02999	0.4
113.02541	0.3
123.04523	0.8
125.02460	0.3
133.03027	0.3
135.04539	0.2
137.02461	0.3
147.00604	0.2
151.04074	2.7
158.27425	0.3
161.02473	2.5
161.04568	0.2
164.03539	0.3
165.05606	0.3
173.04585	0.4
176.04749	1.7
177.01878	0.3
179.03514	29.6
180.03850	1.3
191.05638	1.2
191.07193	0.6
194.05859	33.0
195.06213	2.2
209.08202	80.9
210.08530	5.7
254.08173	1.0
270.07684	0.4
271.02518	0.3
272.09155	0.4
287.96402	0.2
297.04007	0.3
300.02701	0.4
301.03610	0.4
353.03000	0.2
384.04669	0.4
385.05341	0.4
419.17123	15.1
420.17416	2.3
444.12228	0.2
531.11194	0.7
532.11340	0.3
547.11322	0.2
641.15173	0.6
641.26135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
58.00628	0.2
59.01380	1.9
61.98843	0.3
67.01904	0.5
69.03442	0.3
71.01394	1.3
72.05506	0.2
73.02957	0.4
74.77696	0.2
77.48187	0.3
83.01407	0.3
83.05046	0.7
85.02962	10.6
87.00890	2.3
88.98828	0.4
89.02478	0.3
93.02924	0.4
93.03474	5.1
94.03825	0.4
99.04560	0.2
101.02439	0.2
105.54083	0.2
109.02969	2.0
111.04542	1.5
113.02467	0.2
119.05051	2.9
120.05421	1.0
121.05546	0.2
123.04530	0.9
125.02496	0.5
127.04026	2.2
130.94812	0.2
135.04530	0.4
137.01576	0.2
137.02463	1.4
138.02823	0.4
141.87352	0.2
145.02969	0.7
151.03975	0.5
153.01863	0.3
155.03505	1.0
161.04546	0.3
163.04045	2.5
164.04404	1.1
165.04500	0.2
171.03017	0.7
173.04559	2.1
175.03941	0.5
177.02054	0.3
178.99818	0.2
179.03508	0.4
189.01988	0.3
191.05634	100.0
192.05974	4.3
199.04092	0.4
213.05600	0.6
214.02705	0.3
218.10284	0.2
227.03535	1.5
228.04245	0.8
243.03000	2.0
255.02980	6.6
256.03714	3.0
257.04529	2.1
269.04578	0.8
282.01782	0.5
283.02438	1.2
284.03088	0.4
285.04108	2.4
286.04117	0.3
297.04044	1.4
319.08246	1.5
320.08600	1.9
321.08899	1.3
407.07739	15.9
408.08078	2.0
419.16806	0.3
447.07468	0.3
449.08649	4.0
450.09149	0.7
463.09277	0.4
467.09796	3.3
468.09894	0.4
641.15283	7.8
641.25940	0.5
642.15399	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	641.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98852	0.2
63.02400	1.4
65.00323	2.2
66.44768	0.1
71.72025	0.2
78.95936	0.2
83.01396	1.7
93.82365	0.1
99.83443	0.2
107.01406	4.3
124.01688	0.8
125.02480	1.5
148.01642	0.2
149.99609	0.5
151.00394	10.7
152.01216	1.0
153.34627	0.2
163.00372	0.8
164.01051	0.2
169.01460	1.6
172.01682	0.3
172.05273	0.3
173.02412	0.2
178.99873	5.8
180.00175	0.3
186.03232	0.2
186.07112	0.2
191.05540	0.4
192.00569	0.2
193.01357	0.2
199.04005	0.5
206.99451	0.2
209.00943	0.5
209.06093	0.3
211.04010	0.5
211.13423	1.1
221.06023	0.2
223.03999	0.3
224.04765	0.9
225.05467	0.5
227.03502	1.1
236.04836	0.3
237.05550	0.5
238.06218	0.3
240.00516	0.2
240.04300	0.3
241.05037	0.2
248.04819	0.4
249.05470	0.3
251.03548	0.3
252.04240	0.3
256.03830	0.2
261.05759	0.2
263.07092	0.2
264.04221	0.5
265.05008	0.7
266.05969	0.3
267.03012	0.5
268.03799	0.2
271.17029	1.1
277.05017	0.4
278.05884	0.2
279.03067	0.5
279.06412	0.2
280.03726	1.6
292.03784	1.9
293.04544	1.0
295.02502	2.3
296.03314	0.9
297.03937	0.4
298.15622	0.4
299.16492	0.5
304.03757	0.7
305.04489	0.9
306.05270	0.3
307.02441	0.6
307.05865	0.3
308.03204	1.5
309.04086	0.5
309.15027	0.2
311.01797	0.2
317.04596	0.6
318.05328	0.7
319.05978	0.2
320.03244	1.5
321.04007	1.7
322.04794	3.4
322.08359	0.1
323.01987	1.3
323.05310	0.4
323.16534	1.9
324.02652	1.4
324.16916	0.2
326.15240	0.6
327.16031	0.6
333.04013	1.2
334.04724	0.3
335.01895	0.9
335.05652	2.0
336.02713	0.6
336.06363	0.4
337.03494	0.2
338.04327	0.4
345.04181	0.2
347.01752	0.8
347.16620	0.4
348.02759	19.2
349.03345	3.9
349.07446	0.3
350.04144	0.4
351.01361	0.5
351.05090	0.7
353.04916	0.2
353.13898	0.5
361.03564	4.6
362.04214	3.1
363.04721	0.5
365.02997	0.3
365.17563	0.8
366.03949	0.2
367.43100	0.2
375.05090	0.2
377.10367	0.3
377.17737	0.3
379.04526	0.7
389.06427	0.2
389.17502	0.4
393.17105	1.6
403.08447	0.2
405.17172	0.2
407.18481	0.3
417.16998	0.7
421.16611	1.8
422.17099	0.3
423.18021	0.5
433.16522	1.2
434.17139	0.8
435.17847	0.2
443.14932	0.3
445.17059	0.3
450.16861	1.2
451.17648	3.9
452.17883	0.4
460.15347	0.4
461.16049	82.5
462.16370	13.2
477.15561	0.3
478.16336	9.4
479.17053	12.1
480.17386	1.5
521.18042	0.4
613.23260	0.3
641.22498	100.0
642.22852	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	641.153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94516	0.4
57.03448	0.6
61.98838	4.5
63.02424	0.6
65.00360	1.7
71.01411	0.9
83.01431	0.9
83.05067	0.5
83.08923	0.4
85.03040	0.5
87.07714	0.4
88.98852	1.1
91.01914	0.4
93.03487	2.0
93.73248	0.4
95.01423	0.4
95.74023	0.5
101.02486	0.4
104.02762	0.5
107.01404	1.9
108.02227	1.2
109.02969	16.4
111.04607	0.6
115.02007	0.5
119.01426	0.4
121.03005	3.1
124.01729	0.4
125.01670	0.5
125.02397	2.0
135.00949	0.4
135.04562	0.5
137.02463	0.7
139.04082	1.2
143.92624	0.4
145.03014	0.6
147.00945	1.5
147.04634	0.5
148.01697	2.2
149.02509	1.9
151.00409	8.0
152.01175	1.7
153.01971	0.9
159.00955	4.0
161.02499	3.1
162.03192	0.5
163.00438	0.6
164.01266	0.4
167.03493	0.7
169.01442	0.9
173.02579	0.4
173.04619	1.2
175.00394	4.6
176.01167	2.1
177.01962	3.2
178.99896	5.5
179.03531	0.8
183.04625	0.6
187.00430	1.3
188.01228	2.6
189.01990	1.1
191.03729	0.9
191.05675	3.3
195.04689	0.4
201.02011	0.8
202.99899	21.4
204.00298	0.7
204.04332	1.2
209.06033	0.5
211.04132	1.6
212.04567	0.6
213.05759	0.5
215.00011	0.9
216.00664	10.8
217.01321	1.2
219.03107	0.6
225.05533	1.1
226.02708	0.6
227.03560	1.9
230.99507	1.0
235.02347	5.0
239.03516	1.2
240.04199	1.4
241.05095	0.8
242.02194	0.4
243.02887	0.5
247.02437	2.4
248.03220	1.0
251.03552	1.6
252.04247	0.7
253.05066	2.2
254.08289	1.7
255.02968	3.6
256.03738	0.7
263.02002	1.5
265.05200	0.7
267.03021	1.5
268.03735	1.2
269.04575	1.9
271.02466	1.7
275.09253	1.1
279.03024	4.0
280.03625	2.1
281.01019	1.6
281.04630	2.9
282.01706	1.2
283.02499	6.5
291.02982	0.8
295.02502	7.1
295.05627	0.6
296.03110	2.0
297.04095	5.2
298.04407	0.5
299.01981	0.8
300.02893	1.1
301.03598	3.9
307.02499	14.4
308.02982	2.9
309.00781	0.6
309.03888	2.4
310.01135	0.6
310.04486	0.6
311.02063	4.0
311.05463	0.8
312.02576	1.1
323.02008	11.5
324.02695	4.5
325.03549	8.6
326.04129	1.2
327.05130	1.0
335.01962	1.6
340.05917	0.7
341.06857	1.4
352.02267	11.7
353.03021	32.7
354.03394	3.5
355.04782	0.6
357.06009	0.6
384.04880	32.0
385.05630	34.8
386.06061	4.2
421.05673	2.1
449.15103	0.5
463.06769	16.9
464.07065	2.4
495.09171	2.7
496.10074	0.6
499.08945	0.7
517.09491	0.7
531.11432	100.0
532.11786	16.3
609.12665	2.2
641.15247	27.2
641.40924	1.0
642.15643	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	641.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
57.03445	0.7
58.51265	0.2
59.01379	2.5
61.98830	0.5
67.01881	0.4
69.03459	0.3
69.51323	0.8
69.51737	1.5
71.01394	1.4
71.05022	1.2
73.02957	0.4
81.03461	0.5
83.01379	0.7
83.05057	0.6
83.64938	0.2
85.02959	9.9
87.00878	2.8
88.98856	0.3
93.03474	5.1
94.03801	0.3
95.01410	0.3
95.05041	2.8
96.05369	0.5
97.02966	3.9
98.03292	0.8
99.00920	0.3
99.03430	0.3
99.04529	0.8
101.02455	0.5
108.02195	0.7
108.39642	0.2
109.02970	6.5
109.99523	0.2
110.03307	1.0
111.00938	0.5
111.04567	1.7
115.04012	0.7
118.98041	0.3
121.02969	0.5
122.03754	0.3
123.00893	0.3
123.04551	1.4
125.02459	2.6
127.04026	2.7
133.02998	0.4
135.04539	1.1
137.02449	1.3
139.04036	10.4
140.04370	2.6
141.04515	1.2
147.04532	0.7
149.02386	0.3
151.00330	0.4
151.04045	0.5
152.01257	0.4
153.01965	7.3
154.02304	1.9
155.02400	1.1
155.03537	0.6
161.02463	1.2
161.06035	0.4
165.01947	3.9
166.02296	1.4
167.02458	0.5
169.01457	0.3
171.02963	0.5
173.04608	2.4
173.05916	0.5
175.04027	0.9
177.01947	1.0
177.05582	0.3
179.03500	0.4
183.03018	14.6
184.03339	5.3
185.03500	3.0
189.01952	1.1
190.02774	0.6
191.05638	100.0
192.05988	3.6
195.06783	0.2
199.03984	0.6
213.05580	1.0
214.02625	0.3
215.03543	0.3
217.01451	0.4
217.05093	0.4
227.03629	1.3
228.04327	0.5
231.02771	0.3
241.05113	0.4
242.02295	0.3
243.02991	2.4
244.03282	0.4
255.02992	8.2
255.05780	0.5
256.03741	3.6
256.46283	0.3
257.04456	1.8
267.03149	0.4
269.04565	1.3
271.06110	0.5
281.04822	0.4
282.01709	0.5
283.02411	1.6
284.03275	1.0
285.04037	2.9
296.02884	0.3
297.04007	2.3
298.04361	0.3
299.05515	0.6
319.04584	2.4
320.05029	1.9
321.05154	1.7
325.03387	0.4
353.08752	0.4
364.90424	0.3
389.06494	0.4
407.07724	17.4
408.08102	2.3
423.10751	2.5
424.11200	0.4
448.07529	0.5
449.08722	13.3
450.09207	1.3
467.09787	4.4
467.15829	0.4
468.10181	0.3
499.14694	0.3
641.15277	7.1
642.15485	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	641.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13778	0.7
57.03449	1.3
61.98837	5.1
62.88758	0.6
63.02407	5.3
65.00323	9.4
69.63936	1.9
69.64359	3.6
71.01376	1.5
73.02949	0.7
78.95903	0.8
81.03427	0.8
83.01398	5.9
85.02962	1.4
88.98811	0.8
89.02437	1.5
93.03477	2.4
95.01409	1.5
96.96037	0.9
98.19949	1.6
101.02477	1.5
107.01403	16.6
108.02217	1.0
109.02978	19.3
111.00903	1.0
117.03472	0.8
119.05164	0.7
121.02984	6.1
123.00852	1.1
123.04478	0.8
124.01730	3.9
125.02483	5.9
133.02956	1.6
135.00923	0.7
135.04532	0.9
137.02481	1.0
145.02962	2.2
146.03777	1.4
147.04535	1.5
148.01717	0.9
149.02435	1.1
149.06105	2.0
151.00397	55.2
152.01192	9.7
153.02016	3.7
160.01801	0.9
161.02460	2.5
163.00412	1.5
163.03992	3.4
169.01456	7.9
173.02467	3.3
173.04573	2.8
174.03255	1.9
175.03955	1.9
178.99890	42.8
180.00195	3.3
180.62715	0.7
181.01410	0.8
183.04509	1.2
187.03989	0.7
189.01958	1.1
191.05621	7.0
192.00620	0.6
193.01431	2.3
193.05095	3.3
195.04611	0.9
201.01955	5.4
203.03534	4.1
204.04309	11.3
205.04955	2.1
206.58897	0.6
209.06189	1.1
211.04065	3.2
213.01952	1.2
213.05486	0.9
215.03508	1.3
215.27979	0.7
223.03932	1.4
225.01862	0.9
227.03500	2.8
229.00929	0.7
229.05048	1.1
231.03059	1.1
232.03828	0.8
233.04614	1.5
235.04108	1.2
237.05658	0.9
239.03537	4.0
240.04402	3.6
241.05034	2.5
242.02226	0.7
243.02928	2.5
251.03410	1.5
253.04999	2.4
255.03018	5.4
256.03500	1.0
257.04510	0.8
263.03641	0.8
265.05051	1.5
266.02426	0.8
266.05356	0.9
267.03030	3.0
268.03452	1.4
269.04529	2.8
271.02567	3.6
271.06091	1.1
272.02930	0.8
273.04138	0.7
274.27219	0.7
279.03015	2.2
280.03741	2.0
281.04620	9.6
282.04956	1.1
283.02542	4.4
283.05585	0.9
284.03168	0.9
285.03995	1.5
291.03110	0.7
292.03378	0.7
293.04614	1.1
295.02539	4.9
296.03281	2.5
297.04163	5.0
299.02078	1.3
300.02707	6.6
301.03561	41.1
302.03900	3.4
307.02640	1.0
308.03345	1.1
309.04031	6.9
311.02042	17.5
311.05554	1.9
312.02359	2.0
313.03583	1.2
324.02591	0.8
325.03540	5.1
325.07135	1.6
335.02139	3.3
341.03061	6.4
352.02182	2.3
353.03030	24.6
354.03445	4.2
366.04150	1.1
367.04578	0.9
384.04807	1.2
385.05658	26.8
386.05984	2.7
418.03226	1.2
419.03989	2.1
421.05817	1.3
429.73917	0.7
447.09216	5.7
463.06711	100.0
464.07074	15.1
477.08487	1.9
487.08810	6.1
491.33722	0.7
495.09335	29.0
496.09695	3.7
519.11786	1.6
531.11432	31.6
532.11603	6.2
560.14716	0.8
567.11438	1.2
581.08893	3.4
609.12708	9.9
610.13080	2.4
641.15289	8.2
641.24915	1.2
642.15924	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	639.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82439	0.2
58.02976	0.4
59.01391	0.5
69.78277	1.2
69.78680	0.6
76.40736	0.2
78.95936	0.4
83.01431	0.3
85.02972	1.7
87.00883	0.3
88.98838	1.3
93.03474	1.5
94.69051	0.2
95.05051	0.6
96.96046	0.8
96.97038	0.5
108.02193	6.0
109.02997	3.4
110.03397	0.2
118.98053	0.2
121.02997	0.6
123.04538	4.1
123.05367	0.4
127.03998	0.3
133.02975	2.9
135.04538	2.2
137.02507	0.5
149.02394	0.2
150.03284	0.6
151.04019	1.3
152.01178	8.9
153.01971	3.0
161.02466	10.3
162.02794	0.6
163.04089	0.3
164.07207	0.4
165.02007	0.3
165.16420	0.3
171.02979	0.2
173.04572	0.7
173.20044	0.2
175.04036	0.6
177.01904	0.2
177.05652	0.3
179.03529	1.4
191.05638	6.9
192.06023	0.3
195.04478	0.3
196.05299	0.4
199.04060	0.3
203.03529	0.3
206.08188	0.5
209.06032	0.2
211.04005	0.4
212.04807	0.4
216.04416	0.2
223.04063	0.9
224.04822	0.6
225.05597	0.2
226.02699	0.4
227.03517	0.5
239.03532	1.0
240.04350	1.7
241.04892	0.7
251.03491	1.2
252.04134	0.3
253.05078	0.2
254.02193	0.4
255.03108	0.3
257.04590	0.5
265.04913	0.3
267.02942	3.7
268.03735	7.2
269.04333	0.9
278.63260	0.2
279.03104	0.6
281.04468	0.5
282.01697	4.8
283.02423	2.7
285.04099	0.7
293.01062	0.3
293.04532	0.4
294.05307	0.6
295.02484	24.1
296.03232	26.6
297.03787	5.0
300.02750	0.7
309.04086	1.4
309.07117	0.2
310.04706	0.5
315.07245	6.6
316.07413	0.6
321.03998	0.3
322.01340	0.5
323.01950	6.3
323.07642	0.4
324.02423	0.9
325.03613	2.2
326.03873	0.3
328.02341	1.7
337.03571	1.2
338.04300	0.9
353.08548	0.3
385.06952	0.3
403.08289	1.0
404.08789	0.2
429.06171	0.8
433.11502	0.7
447.07217	100.0
448.07571	16.1
477.10370	7.1
478.10815	1.1
639.15778	13.3
640.16113	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	639.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04102	0.5
57.03450	1.9
58.07722	0.6
58.31378	0.5
58.99598	0.6
59.01381	26.6
61.98832	6.6
63.02381	0.7
65.00323	1.6
65.04454	0.5
69.76608	4.0
70.02973	2.2
71.05034	2.9
71.52098	0.5
73.02938	1.1
78.95927	0.7
83.01408	2.0
85.02973	2.0
87.00851	0.8
88.98820	2.0
89.02446	1.8
93.03488	2.8
98.19849	0.7
99.00934	0.6
99.04531	2.2
101.02464	3.1
104.73724	0.6
107.01431	3.0
108.02190	2.6
109.02972	1.7
113.02498	0.9
116.92877	1.9
119.01421	0.7
120.99701	0.6
121.02968	2.4
123.04585	0.6
124.01685	0.7
125.02447	2.7
125.99617	0.9
130.03392	1.2
133.02951	1.2
134.03714	1.1
135.00919	0.9
135.04536	4.1
137.02417	3.3
137.99574	0.9
145.02979	0.8
146.08252	8.4
148.01669	1.8
149.02484	1.6
151.00394	13.5
151.03932	0.7
152.01123	1.0
153.01967	14.2
155.03539	0.9
159.04523	0.8
160.01674	1.2
161.02481	7.9
163.00352	2.9
164.01123	0.7
165.01971	0.8
168.04338	7.5
169.01433	1.2
171.03223	0.6
173.04578	2.0
175.04002	1.8
176.04799	2.5
177.01985	4.5
178.02765	1.6
178.99901	6.2
179.03516	9.1
180.03961	0.6
187.03838	0.6
190.99825	1.1
191.05624	6.0
191.07127	1.1
192.00613	0.7
192.04327	9.0
193.01344	1.0
193.05045	1.4
194.05853	6.2
195.06281	0.6
199.03972	1.2
207.06636	14.3
209.08197	10.6
211.04076	1.3
215.03543	0.7
216.04202	0.8
226.02711	1.8
227.03461	3.2
229.05002	1.0
233.15781	1.6
243.02985	11.0
244.03545	1.3
254.02293	2.7
255.02985	30.6
256.03406	1.6
269.04416	0.7
271.02472	56.3
272.02905	7.1
273.03928	0.9
283.02609	1.0
285.03955	1.9
295.02469	1.6
296.03192	2.2
299.02051	2.9
300.02768	100.0
301.03448	38.8
302.03864	2.6
314.04306	1.1
315.05017	3.3
323.01913	0.8
323.07654	1.3
335.07739	4.0
387.14877	0.7
391.62924	0.6
395.21243	1.0
399.14664	1.6
417.15561	46.9
418.15839	6.7
419.04077	4.1
447.07214	10.7
448.07599	1.7
463.08838	39.6
464.09201	5.2
477.10370	2.7
477.30106	1.0
492.26456	9.2
493.07645	1.6
495.31732	1.8
509.28897	1.9
565.10046	1.8
577.15808	1.5
639.13690	61.5
639.35382	10.6
640.14008	13.8
640.23712	0.5
640.35651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
59.01379	0.3
60.99308	0.3
62.51595	0.3
85.02953	1.2
87.00890	0.5
88.98811	1.1
93.03466	0.6
95.05045	0.4
96.97002	0.5
108.02193	3.3
109.02965	2.6
112.15079	0.3
113.02454	1.0
123.04550	4.7
124.04880	0.3
133.02977	1.5
135.04568	1.8
137.02507	0.4
141.06714	0.4
143.03491	0.9
150.03247	0.6
151.03990	1.0
152.01170	4.1
153.01944	1.3
154.02208	0.3
159.07759	0.5
161.02473	4.5
162.02896	0.4
164.07187	0.6
173.04546	0.9
175.04021	0.4
179.03490	0.8
182.06119	0.3
189.08833	1.1
191.05647	5.8
196.05360	0.5
197.14851	0.3
206.08234	1.7
207.08624	0.6
211.04047	0.3
212.04788	0.6
217.71367	0.3
223.03969	0.6
224.04791	0.5
225.05646	0.4
225.07603	0.3
226.02718	0.5
227.03578	0.4
228.84560	0.3
239.03528	1.1
239.94658	0.3
240.04326	1.7
241.05035	0.7
251.03490	1.6
253.05032	0.4
255.03125	0.3
257.04535	0.5
267.02960	3.4
268.03741	5.8
269.04309	0.8
279.03009	0.3
281.04599	0.6
282.01761	4.4
283.02411	2.5
285.04037	0.3
294.05365	0.6
295.02502	24.1
296.03241	23.5
296.06680	0.6
297.03821	4.8
300.02753	0.7
309.04074	1.2
315.07190	2.8
321.04224	0.4
322.01550	0.6
323.02014	5.9
324.02390	0.9
325.03506	1.7
326.03622	0.3
328.02170	1.4
337.03522	1.2
338.04337	0.6
353.08768	0.5
403.08240	0.9
429.06094	0.8
447.07214	100.0
448.07541	15.5
448.13858	0.4
464.60623	0.4
469.17288	0.3
477.10486	3.1
478.10495	0.4
639.15692	5.9
640.16229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1371
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
55.79051	0.5
57.03454	2.0
59.01373	2.9
61.98836	3.7
63.02406	0.8
65.00324	1.3
70.02990	1.5
71.05027	2.0
71.71935	0.8
73.02968	1.3
74.51035	0.5
78.95952	0.6
79.66718	0.5
83.01409	2.0
85.02967	2.3
87.00903	0.8
88.98827	1.2
89.02462	2.0
93.03469	2.4
95.01388	0.5
99.04546	1.9
101.02474	3.4
107.01415	2.3
107.22977	0.5
108.02203	2.7
109.02967	2.8
111.00916	0.7
113.02450	1.9
116.38859	0.5
119.01399	0.5
119.03461	0.6
121.02977	2.3
123.04520	0.8
125.02454	1.6
127.11373	0.6
128.23164	0.5
130.30960	0.5
133.02980	1.6
134.03766	0.9
135.00871	1.1
135.04543	3.4
137.02490	1.1
145.02951	0.6
146.08261	5.6
148.01671	1.8
151.00400	13.7
153.94196	0.6
160.01654	1.1
161.02452	3.9
161.04509	0.6
163.00421	3.9
164.01105	1.2
169.01465	1.4
173.04575	1.2
175.04047	1.4
178.99864	7.6
179.03484	2.0
187.03986	0.7
190.99966	0.7
191.05637	6.7
193.01541	0.8
193.05101	0.7
199.03951	1.0
203.03552	0.8
211.03995	1.8
215.03526	0.8
216.04367	0.6
226.02774	1.5
227.03535	3.5
228.04047	0.9
229.05061	0.8
233.15756	1.4
239.03484	1.0
243.02977	12.0
244.03432	1.0
245.04443	1.3
253.09346	1.2
254.02328	2.6
255.02977	30.9
256.03308	3.1
257.04648	0.9
268.03763	0.8
271.02475	61.2
272.02914	7.5
273.03973	0.9
283.02518	1.3
295.02444	2.3
296.03232	2.8
297.03595	0.8
299.02112	3.3
300.02768	100.0
301.03476	49.6
302.03888	4.0
305.67258	0.5
314.04382	1.1
315.05148	3.7
323.07843	1.9
331.24911	6.3
333.26202	0.6
343.04956	0.7
395.21008	0.7
407.07526	1.1
435.40366	0.5
444.31848	0.6
447.07187	10.1
448.07663	1.1
463.08835	39.5
464.09109	5.2
477.10245	3.1
477.30411	0.9
492.26434	5.7
495.31888	1.8
509.28851	0.9
577.16113	1.7
579.30200	1.8
639.13684	75.4
639.35437	7.4
640.14087	16.5
658.07281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72631	0.2
57.01336	0.1
59.01371	0.7
60.99316	0.2
61.98825	0.6
69.20872	0.1
69.86426	0.6
69.86856	0.5
71.01378	0.6
71.70144	0.1
83.01407	0.2
85.02960	1.5
87.00879	0.4
88.15228	0.1
88.98813	0.6
89.02446	0.4
93.03465	1.2
95.05025	0.5
96.96036	0.5
96.96978	0.2
101.02471	0.3
108.02193	1.2
109.02964	1.9
116.92881	0.2
119.05015	0.4
121.02979	0.5
122.03790	0.2
123.04541	4.0
125.02390	0.3
127.03985	0.3
133.02960	0.8
135.04527	0.6
137.02448	0.7
145.03021	0.1
150.03233	0.5
151.04047	1.0
152.01164	1.8
153.01988	0.9
155.03487	0.3
161.02481	2.3
161.04536	0.2
163.04033	0.6
164.07153	0.5
173.02441	0.2
173.04588	0.7
174.03304	0.3
175.04021	0.3
176.01167	0.2
177.02002	0.2
179.03496	0.5
183.04575	0.2
186.68550	0.1
188.04831	0.4
190.19437	0.2
191.05630	8.8
192.05927	0.4
195.04532	0.3
196.05334	0.5
199.03908	0.2
201.01968	0.2
206.08304	0.8
211.04149	0.4
212.04712	0.3
213.05626	0.3
216.04236	0.2
223.04053	0.7
224.04785	0.6
226.02734	0.4
227.03604	0.4
239.03513	0.9
240.04245	1.5
241.05025	0.4
251.03529	1.1
252.00681	0.2
252.04179	0.2
253.04941	0.2
254.02228	0.2
255.03023	0.3
257.04633	0.4
265.05365	0.2
266.02539	0.2
266.05814	0.2
267.02994	3.5
268.03754	5.1
269.04337	0.9
279.02966	0.4
281.04575	0.6
282.01706	4.4
283.02432	2.8
284.02753	0.2
285.03827	0.4
293.04593	0.3
294.05276	0.7
295.02493	23.7
296.03244	23.6
297.03851	4.4
298.04465	0.3
300.02789	0.3
309.04050	1.5
310.04718	0.6
315.07285	1.4
319.08282	0.6
321.04004	0.4
322.01315	0.4
323.01990	6.4
324.02484	0.7
325.03607	1.6
328.02219	2.0
329.02805	0.4
337.03619	1.1
338.04123	1.1
339.04980	0.4
401.06299	0.2
403.08307	1.0
407.07938	0.2
429.05978	0.5
447.07208	100.0
448.07547	16.1
477.10254	1.8
478.10788	0.3
495.73627	0.2
639.15741	2.2
640.16461	0.4
652.23810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40110	0.4
69.77368	1.8
69.77791	1.5
71.01384	0.8
78.95905	1.3
83.05032	0.9
85.02969	0.8
85.05164	0.5
87.00871	0.6
93.03466	4.4
96.96973	2.4
102.25344	0.4
109.03008	0.6
111.04513	2.1
119.05047	46.3
120.05391	1.5
121.02960	0.6
127.03999	0.6
131.11234	0.5
133.03018	0.5
135.04559	0.9
137.02495	3.5
141.89822	0.4
154.98320	0.4
155.03505	2.4
163.04034	100.0
164.04381	5.9
173.04620	4.9
177.34456	0.5
179.03575	0.5
191.05632	11.4
191.07353	0.7
192.05911	0.6
257.08304	0.5
289.06949	0.4
337.09302	34.6
338.09683	4.4
353.08548	0.5
377.95142	0.6
445.05655	0.5
637.17761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75299	0.1
57.03461	0.4
59.01381	0.9
60.01916	0.1
61.98835	100.0
62.98539	0.3
62.99266	0.1
69.57044	1.0
71.01399	0.4
83.01408	0.3
85.02976	0.5
88.98832	0.4
89.02468	0.3
93.03481	0.8
99.04535	0.5
101.02488	0.3
109.02981	0.3
111.04556	0.3
116.92902	0.5
119.05080	0.4
123.04554	0.4
125.02482	0.5
133.02977	0.3
135.04561	0.4
137.02492	0.3
145.03027	0.3
149.99609	0.2
151.00385	0.3
155.03522	0.3
161.02466	0.3
163.04033	0.6
164.07228	0.2
168.00685	0.3
173.04524	0.8
177.02136	0.1
178.99921	0.1
191.05640	2.2
206.08264	0.4
239.03497	0.1
267.03033	0.3
268.03815	0.3
269.04590	0.2
271.02615	0.3
281.04654	0.1
282.01724	0.3
283.02496	0.4
285.04132	0.2
295.02530	1.7
296.03235	1.4
297.04126	0.2
299.02039	0.3
300.02841	0.2
309.04126	0.1
311.11414	0.2
314.04388	0.3
315.05206	0.2
323.02029	0.5
325.03525	0.2
339.04953	0.1
372.63913	0.1
378.97562	0.1
413.14679	0.7
414.15088	0.2
421.09241	0.2
446.05807	0.2
447.07236	7.7
476.12827	0.2
638.20044	0.1
639.15680	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58562	0.3
58.02686	0.8
58.02977	12.5
59.03294	0.5
68.85737	0.3
69.83638	1.0
69.84061	1.6
70.02984	4.9
72.00929	3.3
82.52758	0.3
83.01405	0.4
85.02979	0.5
87.00901	0.7
88.98828	2.4
91.05536	4.1
93.03472	0.8
96.96086	0.5
98.20586	0.4
107.99831	0.3
108.02175	0.4
109.02975	0.8
123.04548	1.0
126.11001	0.3
130.05737	0.3
133.01793	0.4
133.02956	0.6
135.04556	1.1
147.04539	21.7
148.04926	2.1
151.04059	0.4
152.01158	0.6
153.01970	0.7
161.02480	1.0
162.09302	0.6
164.07187	59.0
165.07547	5.4
166.07643	0.9
173.04578	0.9
191.05629	4.7
206.08234	100.0
207.08563	12.0
208.08696	2.5
238.60829	0.4
240.04292	0.6
250.07156	0.6
251.03279	0.4
267.02896	0.7
268.03815	1.3
282.01654	1.3
283.02615	0.5
294.99371	0.3
295.02457	6.0
296.03290	5.5
315.07217	0.6
323.01993	1.6
328.02301	0.8
337.03674	0.5
447.07233	27.2
639.16132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56474	1.0
71.01368	0.5
78.95905	0.4
83.05053	0.9
85.02964	1.2
87.00875	0.6
93.03471	6.8
96.96976	0.8
103.63740	0.3
106.58193	0.3
111.04543	2.3
113.33758	0.3
117.99101	0.3
119.05047	45.6
120.05395	2.1
127.04012	0.4
135.04527	0.7
137.02472	8.7
138.02826	0.5
155.03499	1.9
163.04033	100.0
164.04370	5.9
173.04578	4.3
191.05637	12.2
192.06010	0.6
257.04660	0.4
299.07745	1.4
337.09320	32.8
338.09686	3.3
359.72086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1789
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
57.03457	1.8
59.01384	1.5
61.98837	0.8
65.00329	0.4
65.79762	0.3
66.32978	0.3
70.00744	0.3
71.01376	1.0
71.71049	0.3
72.99338	0.3
73.02940	0.4
75.18947	0.3
83.01372	0.3
85.02970	0.4
88.98814	0.5
93.03460	0.7
97.02948	0.3
99.04533	0.9
101.02448	1.3
109.02933	0.5
110.00105	0.8
119.01447	0.4
119.04974	0.3
133.02916	0.3
135.04521	0.5
151.00447	0.5
161.02451	0.3
163.00407	0.4
165.01994	2.1
173.04533	0.4
179.03528	0.4
191.05656	1.1
198.03296	1.5
199.03955	0.9
213.05664	0.7
214.02689	0.8
215.03525	0.3
226.02701	2.0
227.03505	1.7
241.05049	1.2
242.02202	7.6
243.02957	8.2
244.03310	0.5
245.00958	0.8
254.02191	3.8
255.03040	1.4
257.04544	7.2
258.05161	1.5
269.04553	3.6
270.01709	8.2
270.04547	0.5
271.02457	16.6
272.02759	1.0
273.07666	0.5
283.02328	0.4
285.04037	11.3
286.04761	3.3
298.01251	2.4
299.01990	25.8
300.02335	2.6
301.03589	0.4
301.07196	0.8
313.03537	42.8
314.04288	41.7
314.08185	0.5
315.04672	3.4
327.05057	0.4
328.05875	18.6
329.06656	100.0
330.07007	9.5
371.07364	0.3
371.88162	0.3
447.09067	0.4
474.30737	1.1
475.30600	0.5
492.31915	2.4
493.31842	1.2
636.36029	0.5
637.17877	61.9
638.18170	11.9
657.41479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1579
Annotation	Isoscoparin 2''-O-ferulate
Peak:m/z	Relative Intensity
57.03451	1.5
59.01382	1.3
61.98831	1.3
63.02411	0.2
65.00345	0.4
69.03452	0.2
73.02946	0.4
78.95882	0.3
83.01421	0.5
85.02954	0.6
87.00867	0.3
88.98814	0.7
89.02450	0.3
89.89503	0.2
93.03458	0.6
96.95987	0.3
98.20694	0.3
99.04542	0.7
101.02464	1.1
107.01433	0.6
109.03001	0.5
113.02467	0.5
116.92874	0.5
117.03455	0.4
119.05029	0.6
121.02966	0.2
125.02462	0.5
132.02197	4.5
133.03008	1.3
134.03780	2.9
135.04552	1.5
137.02449	0.4
137.62448	0.2
145.02966	0.7
147.04521	0.4
149.06097	0.2
151.00409	1.2
160.01686	14.5
161.02444	2.7
163.00333	0.2
163.04025	0.4
167.03590	0.2
173.04604	0.4
173.33934	0.2
175.04031	9.6
176.04411	0.7
177.01968	0.2
178.02733	0.3
179.03563	1.2
191.05632	0.8
193.05061	1.0
199.04189	0.2
200.04919	0.4
209.11832	1.9
211.04155	0.4
221.04512	0.3
221.15247	0.2
227.03526	0.8
255.03011	4.9
256.03738	3.1
257.04135	0.4
268.03647	0.3
269.04535	0.6
270.07816	0.5
283.02496	2.9
284.03268	66.4
285.03699	8.0
289.07123	0.3
297.04089	1.8
298.04755	1.5
299.05621	100.0
300.05951	9.5
313.03726	0.3
313.07132	2.7
314.07700	0.2
323.07721	5.9
324.08127	0.6
337.09317	2.6
338.09668	0.2
341.06668	0.3
411.52844	0.2
430.70633	0.2
461.11057	0.4
474.30701	0.7
475.30780	0.3
492.31671	1.3
493.32349	0.6
494.33450	0.3
615.18036	0.2
637.15771	26.1
638.16034	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	636.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	10.3
64.92782	0.2
67.88519	0.2
69.83780	1.0
70.02988	4.7
72.00921	2.6
91.05546	3.7
93.03474	0.4
114.30489	0.2
135.04567	0.7
140.11179	0.2
147.04549	20.4
148.04903	0.7
162.09349	0.3
164.07191	54.6
165.07536	3.1
173.04555	0.2
191.05641	0.4
200.04507	0.2
205.42279	0.2
206.08235	100.0
207.08575	6.9
249.86295	0.2
250.07234	1.0
623.99524	0.2
656.00507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77553	0.7
55.01870	1.7
57.03452	62.5
58.03788	1.2
59.01090	1.7
59.01383	34.9
61.98833	17.8
69.03474	1.0
69.44116	8.3
69.54903	0.8
71.01392	20.5
72.99304	1.5
73.02963	9.3
81.03477	2.3
83.01409	5.5
85.02959	12.9
87.00884	2.9
88.98809	2.4
89.02448	4.4
90.02783	0.8
93.03481	4.2
95.01390	2.5
96.96019	1.8
97.02948	1.0
99.00899	4.6
99.04539	25.7
100.04855	0.8
101.02461	35.7
103.00349	1.2
107.26973	0.8
109.02966	2.0
110.11353	0.7
111.00896	3.7
112.01681	1.0
113.02468	10.4
116.92857	2.6
119.03542	1.2
119.05037	1.1
125.02467	13.2
133.02927	1.3
134.03741	0.9
135.04544	9.2
137.02446	4.8
143.03546	1.6
146.08260	0.8
148.03931	0.7
151.00471	1.0
152.03616	0.7
159.02995	2.0
161.02437	2.9
161.04578	2.9
163.04070	1.3
173.04523	2.1
175.03955	1.1
178.02663	0.7
179.03520	7.0
191.05632	4.7
191.15211	0.9
239.20102	1.0
269.21130	6.4
271.02536	1.5
277.12277	1.2
298.01208	1.7
298.23932	3.4
299.01929	1.9
300.02725	1.6
313.03595	1.9
315.05145	1.0
316.05505	0.9
330.26559	4.3
335.07700	6.0
401.25546	1.2
413.21301	1.2
414.22238	2.1
431.26175	2.1
443.26642	1.2
445.05814	1.2
460.29352	1.2
474.30740	54.6
475.31119	9.9
476.09531	2.1
492.31790	100.0
493.32104	15.9
534.32916	5.5
535.32532	1.3
574.35272	1.2
636.36072	34.4
637.13348	1.0
637.36023	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	631.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
61.98824	0.9
67.45922	0.2
68.52142	0.2
71.01357	0.3
71.70965	0.2
71.71398	0.3
73.02957	3.1
75.00885	0.7
78.95930	0.3
83.56749	0.2
89.79256	0.2
91.93439	0.2
94.38910	0.2
99.00896	0.7
99.92595	12.1
100.92609	0.6
104.39664	0.3
114.93426	0.4
115.00338	0.3
116.07194	0.4
116.92878	100.0
116.97223	1.4
117.01965	6.8
117.05584	0.4
117.92886	6.2
118.05128	0.3
173.04559	0.6
191.05595	1.0
248.63353	0.3
631.24310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	4.9
59.01386	9.1
61.98835	2.9
68.26977	0.7
69.03473	0.7
71.01396	6.6
72.20675	0.7
72.99310	1.0
73.02947	2.0
76.59000	0.6
76.69815	0.7
78.95909	2.1
80.02680	1.2
81.03482	1.0
83.01394	1.9
83.05046	4.1
85.02969	2.8
87.00890	2.9
88.98813	2.9
89.02459	5.0
93.03475	2.8
95.01408	0.9
95.05042	1.6
97.06608	13.2
98.06986	0.8
99.00931	0.9
101.02464	5.7
109.02964	0.9
111.04522	1.5
113.02495	3.5
116.92892	1.8
119.03526	0.9
123.08179	6.4
125.02481	2.6
125.09753	96.2
126.10052	5.6
135.04585	1.3
137.02417	1.0
145.05054	1.0
151.00389	1.6
161.02480	0.8
161.04597	1.5
163.11317	3.3
163.19051	0.7
165.12875	1.6
169.08743	2.8
171.10327	4.1
173.04636	4.2
177.01935	1.0
187.09785	63.5
188.10153	2.1
191.05621	10.9
192.06100	0.9
209.11864	53.3
210.12160	3.5
225.11282	1.2
227.12958	4.3
235.08279	1.4
253.09331	4.6
261.13330	0.9
341.06769	1.8
361.69070	0.9
405.17749	4.6
409.52164	0.9
423.18771	12.3
424.19052	1.5
506.96594	0.8
538.15765	1.1
543.15753	1.2
615.30249	7.1
616.30505	1.9
633.31458	100.0
634.31696	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	631.2411
Annotation	C18155
Peak:m/z	Relative Intensity
57.03458	0.5
63.02402	1.7
65.00323	4.0
66.90672	0.3
71.52141	0.5
83.01392	2.7
95.01415	1.9
95.90046	0.4
107.01409	5.8
111.00893	1.5
123.00910	2.7
124.01682	12.1
125.02485	5.2
133.03023	0.5
135.04510	0.6
139.00381	1.5
141.01982	1.7
145.03035	0.7
151.00394	25.1
152.01176	54.4
153.01495	2.6
161.02448	4.4
162.03267	2.5
163.00415	1.3
163.04037	3.6
163.14679	0.4
164.01204	0.5
166.06552	0.4
169.01457	2.4
175.04007	1.3
177.01939	0.5
178.99878	37.3
180.00252	2.2
184.00299	0.4
187.00327	0.4
189.01923	2.2
191.05594	0.5
192.00659	1.1
199.03998	1.2
203.03468	1.1
217.05125	0.5
227.03461	0.9
239.03360	0.6
240.04283	0.7
241.05048	0.8
243.03008	1.9
256.03552	0.5
267.02899	1.4
268.03751	0.9
269.04477	1.2
271.02475	4.8
272.02988	0.9
285.04041	3.2
287.16599	0.9
289.18134	0.6
295.02423	1.8
296.03314	3.7
297.04013	4.2
299.02039	5.5
299.16672	0.7
300.02686	3.7
301.03119	0.5
313.03522	3.0
314.04291	2.8
315.16049	1.6
316.16788	2.0
317.17496	2.6
324.02792	0.7
325.14447	0.4
343.15512	4.6
405.16995	0.7
423.18411	0.4
427.91946	0.4
433.16556	1.7
450.17087	0.4
450.99759	0.4
451.07230	0.4
451.17664	5.6
452.18076	1.2
467.17175	1.4
468.17953	2.3
469.18719	10.3
470.18869	2.3
533.84155	0.4
603.23309	1.5
613.24127	0.4
631.24091	100.0
632.24445	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	629.2254
Annotation	C16540
Peak:m/z	Relative Intensity
55.07411	0.5
57.03457	0.5
59.01379	2.0
61.98835	1.0
63.02402	3.2
65.00326	6.1
66.37952	0.5
71.08141	1.0
75.89537	0.5
81.03447	0.6
83.01400	4.7
93.03436	0.6
95.01396	0.6
107.01411	11.0
109.02994	1.1
121.02993	1.1
121.73715	0.5
123.00937	0.6
124.01708	1.1
125.02470	6.3
135.00873	0.6
137.02411	0.8
139.00482	0.5
139.50215	0.5
144.70067	0.5
147.00865	0.6
149.02432	0.5
151.00397	37.1
152.01186	4.2
153.01868	0.7
161.02472	1.2
163.00352	1.6
163.04036	0.8
165.01961	2.7
167.03542	0.6
169.01442	4.5
173.02419	0.6
173.04451	0.7
175.00410	0.9
175.03970	0.9
177.02022	0.9
178.99883	25.7
180.00279	1.1
183.04596	1.1
185.02451	0.7
187.04070	1.1
189.01965	0.8
190.02946	0.6
191.05687	0.8
193.01436	2.1
199.03993	1.7
200.04634	0.6
202.99777	0.6
203.03450	1.7
204.04152	0.7
211.04044	1.9
212.04669	0.7
213.01970	0.6
215.03511	0.6
217.01372	0.8
217.04910	0.9
225.01837	0.7
226.02881	1.2
227.03578	3.8
228.04269	2.2
229.01468	0.9
231.02942	0.7
239.03465	1.0
241.05061	1.2
242.02312	0.8
242.05688	0.5
243.03024	1.9
252.04123	0.7
254.02130	1.4
255.02957	5.3
256.03714	3.6
257.04425	0.6
259.02518	0.7
265.05038	0.6
267.03000	0.7
268.03754	1.0
269.04578	0.6
270.05429	0.6
271.02493	6.2
272.03058	1.0
279.02991	0.8
280.03711	1.2
281.00879	0.9
281.04083	0.7
282.01675	3.9
283.02548	2.6
284.03339	3.3
285.03998	0.8
285.14966	2.9
293.04678	0.9
294.05164	1.1
295.02393	1.7
295.13419	1.2
296.03040	0.7
297.03897	0.6
298.04868	2.5
299.02008	4.0
299.12952	2.5
300.02762	7.0
301.03558	5.5
301.14490	1.2
302.15292	2.3
303.16003	3.6
310.01093	4.1
311.02008	11.4
312.02615	1.2
312.13727	0.6
313.11014	0.7
313.14420	4.5
315.15829	0.7
321.03915	0.6
322.04880	4.2
324.02841	4.8
325.02902	0.7
327.01480	96.4
328.01743	10.0
330.14569	0.6
331.15433	3.4
332.15671	0.6
338.04282	0.8
339.12402	3.2
340.12659	0.6
352.02267	6.0
353.02936	3.0
353.14063	0.9
355.15619	5.0
356.15988	0.7
369.17160	1.3
379.15613	3.8
395.15149	2.8
397.16492	7.5
398.16794	1.4
421.16501	5.2
422.16644	0.7
423.14410	1.2
437.16083	7.7
438.16043	1.1
447.14386	2.5
465.15555	99.2
466.15927	17.0
483.16571	2.2
572.25781	0.7
601.23297	0.7
629.22516	100.0
630.22888	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	629.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86225	0.4
57.03437	0.7
59.01391	1.1
61.98839	1.7
63.02390	2.2
65.00324	5.5
68.99837	0.5
69.63331	3.3
71.01378	0.6
83.01386	2.9
88.98795	0.4
93.03497	0.9
95.01418	1.5
96.96026	1.0
107.01405	8.6
108.02206	0.5
111.00919	1.5
115.36082	0.4
116.92900	0.8
123.00954	1.4
123.04554	0.6
124.01685	13.5
125.02481	5.4
132.02213	1.1
133.03004	0.4
135.04556	0.9
137.02466	0.7
139.00410	2.1
141.02023	1.8
145.02998	1.4
150.98590	0.6
151.00397	33.1
152.01181	62.6
153.01570	2.6
160.01711	0.8
161.02457	4.4
162.03270	3.2
163.00456	0.8
163.04083	3.6
169.01459	5.2
171.04507	0.5
173.02435	1.0
173.04614	0.9
175.04051	1.4
176.47440	0.4
177.02005	0.6
178.99886	51.4
180.00203	2.6
184.00034	0.4
188.01125	0.5
188.04764	0.5
189.01958	2.7
190.02707	1.4
191.03560	2.9
191.05568	1.1
192.00677	0.8
193.01448	0.8
199.04111	0.6
201.01877	0.5
203.03539	0.8
207.03084	0.6
211.04037	0.8
211.13451	1.1
225.05542	0.5
227.03542	1.3
239.03532	1.7
240.04192	0.9
241.05141	0.6
242.01788	0.4
243.03046	1.1
253.05009	0.5
255.02901	1.1
256.03821	1.2
257.04514	0.8
265.01596	0.4
267.02979	1.5
268.03641	1.0
269.04575	1.4
271.02451	4.4
272.03082	0.6
279.02933	0.9
280.03806	0.8
281.04715	0.7
283.02487	1.4
284.03207	0.6
285.04059	2.5
287.16431	0.9
289.18228	0.7
294.01736	1.0
295.02524	5.8
296.03226	4.7
297.04004	7.4
298.01181	0.5
298.04352	0.7
299.02008	6.2
299.16660	0.8
300.02756	2.8
308.03104	0.6
309.04041	0.5
311.02011	7.5
312.02441	1.1
313.03546	1.3
314.04370	11.0
314.15143	0.6
315.04929	1.2
315.15927	1.2
316.16815	1.4
317.17310	2.1
324.02679	1.6
325.03473	2.8
341.03143	0.7
342.03903	0.8
343.04660	2.3
343.15460	4.8
344.16022	0.6
348.02777	1.0
353.03119	1.3
381.16980	0.5
405.17142	0.8
421.16525	0.9
423.17993	0.4
433.16537	1.2
439.17706	0.8
449.16101	4.5
450.16544	1.4
451.17676	3.7
452.17679	0.5
461.16202	2.5
462.16577	0.4
466.16425	3.8
467.17050	5.3
468.17972	3.4
469.18655	7.5
470.19104	1.1
475.08792	17.4
476.08896	2.4
479.17062	1.1
601.22919	100.0
602.23199	19.8
611.21497	4.1
612.21808	0.7
624.89166	0.4
629.22546	23.9
630.22772	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	629.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01387	1.0
61.98827	1.3
63.02396	2.2
63.59848	0.5
64.60295	0.4
65.00330	5.0
66.00711	0.4
71.01397	0.6
71.39587	0.6
71.39909	0.5
79.64983	0.4
80.96606	0.6
81.00341	0.4
83.01398	3.0
91.10015	0.5
91.99738	0.5
93.03484	1.8
95.01409	1.4
96.96031	17.6
107.01417	8.2
111.00935	1.6
111.04530	1.0
116.92905	0.6
123.00922	1.7
123.04526	1.0
124.01685	13.3
125.02506	4.9
125.09732	0.6
131.04958	0.5
132.02206	0.5
135.04579	1.8
136.78741	0.5
137.02501	1.1
139.00421	2.5
141.01967	1.9
145.02982	1.3
151.00401	29.6
152.01183	66.0
153.01486	3.0
155.03528	0.7
161.02496	4.8
161.45163	0.5
162.03267	2.5
163.00330	0.6
163.04031	4.6
164.01263	0.6
169.01459	4.5
171.10248	0.5
173.02441	0.9
173.04564	1.1
174.03250	0.6
175.04024	1.1
177.02028	0.6
178.99892	47.2
180.00252	2.9
185.02542	0.5
187.00519	0.6
188.01199	0.7
189.01978	1.8
190.02754	0.9
191.03542	4.1
191.05637	1.7
192.00604	1.6
193.01427	0.9
201.01924	0.5
203.03511	0.9
207.03033	0.7
209.11812	0.5
211.04129	1.0
211.13385	1.4
217.01399	1.1
223.03871	0.6
227.03554	1.0
227.50798	0.5
239.03606	1.2
240.52869	0.6
241.05019	0.8
243.03009	1.5
251.03398	0.6
253.05290	0.5
255.03012	1.1
267.02969	1.5
269.04553	1.2
271.02557	4.0
272.02979	0.9
277.18106	1.1
280.03702	0.8
281.04596	0.6
283.02475	0.7
285.04062	3.5
286.04993	0.5
289.18143	1.3
294.01718	0.6
295.02496	3.6
296.03204	3.5
297.04092	7.2
298.04422	1.1
299.02087	4.7
299.16653	0.7
300.02716	2.4
311.02060	3.0
312.02271	0.6
313.03558	1.4
314.04333	10.5
314.15201	0.5
315.04922	1.4
315.16254	1.0
316.16916	1.3
317.17487	2.0
324.02695	1.8
325.03711	2.7
342.03979	0.8
343.04642	2.2
343.15530	3.9
348.02716	1.2
353.03204	1.0
407.26190	0.6
433.16479	0.8
449.16364	2.5
450.16638	1.2
451.17554	2.6
452.18164	0.9
461.16293	2.5
466.16476	2.4
467.16919	2.2
468.17972	2.6
469.18643	6.7
470.18951	0.8
475.08838	16.1
476.09161	2.9
476.15552	0.7
477.21747	0.7
479.17136	0.9
564.20435	0.6
566.10144	0.5
601.22949	100.0
602.23236	20.7
611.21393	3.2
612.21490	0.6
629.22589	19.2
629.32788	1.1
630.22748	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	628.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01376	2.1
59.79496	0.3
61.98834	100.0
69.42085	4.1
71.01390	1.0
78.95948	0.7
81.03468	0.3
82.36227	0.4
83.98204	0.3
85.02965	0.8
88.24978	0.3
93.03473	1.9
99.04557	0.4
101.02475	0.6
102.41528	0.3
109.02990	1.3
113.02452	0.3
116.92886	0.4
121.02947	0.4
127.11349	0.4
133.03036	0.5
135.04582	2.3
137.02499	1.1
145.03008	0.4
151.00475	0.4
151.04012	0.4
152.01094	0.4
152.99615	0.8
153.02016	0.4
161.02446	0.6
163.04059	0.4
166.02751	0.7
168.04317	0.4
171.10194	0.4
173.04636	1.9
173.06006	0.5
175.03995	0.5
179.03612	1.3
181.05124	1.1
182.05482	0.5
191.05627	6.1
199.52440	0.4
201.11472	1.4
209.11858	3.0
218.21014	0.3
253.09332	0.4
300.02829	0.4
307.99771	0.4
313.24014	0.5
335.07745	0.4
353.08911	1.1
375.42200	0.4
389.89328	0.4
404.18292	1.1
405.18448	1.1
406.18829	1.4
440.51831	0.5
628.29071	0.7
629.20203	0.5
629.29834	0.8
629.39313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53152	0.1
59.01389	0.4
60.99320	0.2
61.98836	100.0
62.98523	0.3
69.37750	1.8
84.70103	0.1
85.02989	0.2
87.00924	0.1
88.98820	1.9
89.02486	0.2
92.77424	0.2
93.03478	0.9
99.04508	0.2
109.03026	0.4
111.04579	0.2
116.92874	0.2
132.86130	0.2
133.02908	0.2
135.04562	1.1
137.02477	0.3
143.99571	0.2
153.01941	0.2
161.02463	0.3
173.04546	1.1
179.03575	0.6
191.05653	2.4
192.06024	0.4
209.11853	0.2
211.04602	0.2
297.59299	0.2
313.18738	0.2
353.08859	0.3
397.09903	0.2
443.91678	0.2
509.15079	0.2
629.39594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2256
Annotation	C16540
Peak:m/z	Relative Intensity
53.59688	0.3
59.01362	0.8
60.87610	0.4
63.02397	1.3
65.00333	3.2
69.54340	1.0
69.54746	2.5
76.58372	0.3
80.25967	0.3
80.36539	0.3
83.01394	1.5
93.03472	0.7
96.96068	0.5
107.01406	7.2
108.02199	0.8
117.88075	0.3
124.01683	5.1
125.02412	1.0
135.00845	0.6
136.01604	0.4
139.00400	0.4
147.00900	0.4
148.01711	1.9
149.02388	0.3
149.99603	0.9
151.00394	25.5
152.01186	6.6
161.02470	0.5
163.00403	0.7
164.01134	0.7
169.01434	1.2
169.02852	0.4
174.03050	0.4
175.00339	0.6
178.99889	8.6
180.00485	0.6
187.03914	0.5
187.07660	0.5
189.01910	0.4
191.05673	1.9
192.00587	0.9
193.01396	0.8
199.03934	0.7
202.02702	0.6
203.03456	0.5
204.04254	0.9
211.04008	0.7
215.03534	2.1
215.16527	1.4
216.04314	0.6
217.01535	0.7
223.16942	0.7
224.97562	0.3
226.02667	0.8
227.03508	5.0
228.03902	0.7
230.02310	0.6
231.03000	0.5
231.06683	1.8
232.03822	1.7
233.00951	0.4
242.02071	0.5
243.02989	4.7
244.03616	0.8
245.00893	0.4
247.02463	0.8
248.03242	2.6
254.02106	1.1
255.02995	6.2
256.03577	1.5
258.01572	0.5
259.02402	0.8
271.02478	16.5
272.03159	5.5
273.03772	0.6
278.00607	0.5
282.01614	0.4
283.02463	1.3
287.01855	0.4
288.02554	0.4
299.01938	1.5
300.02765	34.3
301.03372	6.8
302.03952	0.4
303.15720	0.4
311.05453	0.7
315.01514	5.2
316.02145	3.1
327.01447	1.7
369.02368	1.4
370.03201	0.4
383.04315	0.8
431.23679	0.4
439.10266	0.5
454.16080	0.7
455.16788	1.3
465.15540	0.6
482.15881	8.1
483.16458	9.4
484.16891	1.2
629.22504	100.0
630.22821	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	627.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
62.71798	0.4
67.01913	1.1
69.03447	1.3
69.74061	1.6
69.74505	1.7
71.01382	4.6
73.02971	1.2
73.33859	0.5
76.71140	0.5
81.03452	1.1
83.01390	1.3
85.02974	3.6
89.02467	0.6
91.01913	1.1
93.03468	1.7
95.01419	2.1
96.99341	0.7
97.02957	1.6
97.92545	0.5
100.46408	0.4
101.02459	2.9
107.01428	1.6
108.02191	68.8
109.02987	31.1
110.03307	1.3
111.00902	1.9
113.02483	2.1
121.02990	3.1
122.03710	0.5
123.00891	2.5
123.04529	7.2
124.01665	0.9
125.02484	2.3
133.02971	0.9
134.03743	0.6
135.00934	2.4
135.04565	1.0
136.01724	0.6
137.02477	1.6
139.04022	0.8
145.03020	0.5
145.82004	0.5
147.04535	0.6
149.02467	1.9
151.00368	3.1
151.04012	1.5
152.01178	78.5
153.01967	38.7
153.02942	0.4
153.03297	0.9
154.02307	1.6
163.04066	1.5
165.01958	9.3
166.02667	1.8
167.03517	23.6
168.03856	0.9
173.04568	0.8
177.01920	0.7
178.99969	0.5
179.03523	0.5
183.02982	2.0
191.05655	7.6
195.03036	2.1
207.02847	0.5
209.04604	1.0
225.04102	0.8
254.37910	0.5
281.06625	0.6
296.05453	1.5
297.06149	7.5
298.06668	0.6
301.03400	4.0
311.07733	10.1
312.08047	1.2
315.07309	4.8
315.10837	0.7
319.04666	0.5
337.09225	0.6
421.11469	2.9
433.07303	2.9
447.08524	0.6
461.11063	1.1
465.10382	100.0
466.10712	12.6
483.21027	0.6
507.11423	4.4
508.11722	0.6
627.15796	62.4
628.16132	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	627.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48646	0.3
59.01378	1.2
61.98833	5.4
63.02398	1.5
65.00327	3.0
69.07057	0.3
71.01398	0.9
71.22874	0.3
71.28968	0.7
83.01392	2.4
84.54544	0.3
84.58801	0.3
87.00887	0.3
90.81736	0.3
91.01954	0.3
93.03487	1.2
96.73531	0.3
101.02483	0.6
107.01410	6.9
108.02212	1.0
109.02958	2.6
117.61168	0.3
119.01379	0.4
121.02967	5.9
124.01691	0.4
125.02493	0.4
133.02974	0.5
134.03813	0.7
135.00957	0.6
135.04550	7.7
136.04852	0.4
137.02480	0.4
145.02992	0.4
148.01712	0.7
149.02481	1.1
151.00395	30.9
152.00792	1.2
153.01874	0.4
159.04611	0.7
161.02443	1.2
163.00436	3.6
164.01147	1.0
165.02054	0.4
169.01463	1.9
175.04021	0.4
178.99886	14.1
179.03477	2.2
179.26999	0.3
180.00252	0.7
183.04594	0.7
187.04005	0.8
190.99820	0.7
191.05658	1.0
192.00650	0.9
193.01401	0.6
199.04004	1.0
201.05606	0.4
203.03493	0.4
211.03978	2.1
215.03519	0.6
216.04326	0.5
226.02681	0.9
227.03534	2.9
228.04066	0.5
229.04982	1.5
239.03523	0.7
243.00658	0.6
243.02985	7.4
244.03494	0.6
245.04547	2.1
254.02173	1.8
255.02974	20.0
256.03363	2.2
257.04477	0.7
266.02310	0.4
271.02469	39.5
272.02856	4.4
273.04016	2.5
283.02502	2.0
299.02090	5.4
300.02762	84.1
301.03513	100.0
302.03882	9.9
313.03552	2.8
437.08670	1.1
447.09323	80.8
448.09659	12.8
463.06674	17.7
464.06985	2.7
481.07755	20.9
482.08087	3.4
627.13623	29.9
628.14026	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	627.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68565	0.3
57.03449	0.3
59.01384	2.1
61.98836	0.6
63.02392	0.4
65.00341	0.8
68.99824	0.3
71.01371	0.8
71.71241	0.3
83.01388	1.1
83.66335	0.3
85.02992	0.6
86.17603	0.3
87.27480	0.4
88.02797	0.3
89.02459	0.6
89.03001	0.3
93.03475	1.1
101.02478	0.6
107.01422	1.0
108.02210	0.8
109.02974	3.7
113.02443	0.3
119.05031	0.3
121.02988	1.6
123.04538	0.4
124.01703	0.3
125.02441	0.7
133.02983	0.7
134.03720	0.6
135.00848	0.5
135.04552	23.3
136.04895	0.7
137.02455	1.1
139.04073	0.4
145.02998	0.3
148.01633	0.7
149.02438	1.0
150.03302	0.5
151.00401	6.0
151.04062	0.3
155.03555	0.4
161.02495	1.2
163.00414	1.7
163.03995	0.4
165.05576	0.9
169.01439	0.6
173.04532	0.6
175.42964	0.3
177.01961	2.6
178.99879	3.4
179.03503	1.3
187.04117	0.4
188.01144	1.2
189.01888	1.3
190.02744	0.5
191.04028	0.4
191.05623	2.3
195.06615	0.9
198.03230	0.4
199.03966	0.6
203.03568	0.5
205.01422	0.6
205.74443	0.3
209.08247	0.6
211.04047	1.3
212.04730	0.3
213.05595	0.4
216.04256	0.4
217.01265	0.5
225.05661	0.5
226.02698	2.1
227.03514	1.9
229.05054	0.8
237.05804	0.4
243.02962	5.9
243.05261	0.5
244.03326	0.6
245.04521	0.5
253.05115	0.8
254.02199	2.3
255.02969	8.9
255.05841	0.5
256.03445	0.8
256.25189	0.3
263.85880	0.3
269.04529	2.5
270.01834	0.5
270.04889	0.5
271.02469	30.3
272.02908	3.1
273.04041	0.4
280.03598	0.6
281.04578	1.6
282.01755	0.4
282.05017	0.4
283.02466	5.3
284.02893	0.7
287.02017	0.4
297.04071	3.3
298.04816	0.7
299.02081	0.7
300.02768	47.1
301.03506	29.9
302.03903	2.2
311.01959	0.9
315.01389	0.5
315.10889	0.4
326.04343	11.6
327.05014	7.2
328.05530	0.8
357.13358	0.4
447.09341	100.0
448.09668	11.9
448.15851	0.7
463.08920	1.3
473.10892	17.0
474.11295	1.9
507.52002	0.4
627.13074	1.9
628.14978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98834	3.6
63.02405	1.5
65.00329	3.0
70.98922	0.4
70.99270	0.8
71.01395	1.0
83.01400	1.9
85.03001	0.4
88.98794	0.5
89.02442	0.4
92.89626	0.3
93.03484	1.0
96.96063	0.4
98.95605	0.4
101.02487	0.5
107.01411	8.3
108.02229	0.7
109.02969	2.8
111.00906	0.3
121.02975	6.0
123.04748	0.3
124.01661	0.4
125.02446	0.8
134.03787	0.5
135.00945	0.6
135.04552	7.7
137.02441	0.5
139.04051	0.5
147.04529	0.4
148.01709	1.0
149.02478	0.9
151.00401	29.6
152.00807	1.0
155.03682	0.3
159.04500	0.5
161.02472	1.3
163.00386	3.9
163.04044	0.4
164.01144	1.1
169.01443	2.1
173.04640	0.7
173.05998	0.3
174.03207	0.3
175.03940	0.4
178.99898	14.2
179.03448	1.7
180.00174	0.6
183.04619	0.5
185.06003	0.5
187.04037	0.7
189.02051	0.4
190.99898	0.5
191.05679	1.9
192.00610	0.4
193.01381	0.7
199.04012	1.4
201.05562	0.6
202.76897	0.3
203.03534	0.6
211.04129	1.8
213.05592	0.3
214.02780	0.4
215.03476	0.7
226.02695	0.9
227.03552	3.0
228.04077	0.6
229.05046	1.4
239.03464	0.9
243.02988	7.1
244.03410	0.4
245.04553	2.1
254.02148	1.5
255.02991	23.7
256.03363	2.2
257.04767	0.4
267.22437	0.3
271.02487	40.4
272.02924	4.8
273.04031	2.1
283.02435	1.9
284.03061	0.4
285.04016	0.4
299.02008	5.8
300.02777	86.1
301.03528	100.0
302.03885	9.0
313.03528	2.9
314.03793	0.4
437.08722	1.4
446.08548	0.6
447.09363	84.4
448.09659	11.1
449.10001	0.7
463.06744	18.0
464.07104	2.2
481.07819	21.8
482.08206	3.4
609.12897	0.6
627.13666	30.8
627.31836	1.4
628.13989	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	625.2683
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
58.37033	0.4
59.01378	1.1
59.16119	0.4
61.98833	1.0
68.52672	0.4
70.79393	1.4
71.01379	0.7
71.18052	0.4
73.02957	0.7
93.03446	0.9
114.57898	0.4
121.33211	0.5
121.84761	0.4
132.60509	0.5
134.06142	1.3
151.00375	1.1
154.62158	0.4
155.03517	0.6
173.04602	1.0
188.45746	0.5
191.05629	1.6
211.08809	0.5
213.10359	8.3
214.10719	0.7
215.11922	0.9
225.05522	0.5
237.10326	0.7
239.11852	0.6
251.03670	0.8
269.04614	0.7
271.20621	0.4
299.14038	2.4
307.50726	0.4
314.09262	0.7
327.10196	0.7
328.10931	0.7
340.10873	0.6
342.12396	1.1
346.12012	0.6
355.09402	0.6
356.10126	0.5
356.14063	0.5
368.10519	0.7
370.15842	0.6
372.13733	0.6
384.13504	0.9
385.14182	1.4
390.11752	0.5
398.15112	0.7
405.17545	0.8
406.14948	0.5
407.18329	0.6
418.11111	0.8
419.10876	0.6
419.15701	0.5
420.16812	1.3
421.16797	2.6
422.17172	0.5
423.18256	1.1
430.17938	0.6
432.12244	0.8
433.12247	3.7
434.13150	2.4
435.13797	0.8
435.18884	0.7
439.21393	1.4
447.14581	3.7
448.15430	9.9
448.21335	0.4
449.15973	10.0
450.16342	2.7
451.17877	1.4
453.72433	0.5
461.16766	1.3
462.16992	1.0
463.11078	0.9
463.17755	19.7
464.18118	4.3
465.19275	1.3
473.16553	0.8
475.14227	0.6
476.14819	1.0
477.19925	3.2
478.20953	2.9
479.16306	34.5
480.17645	4.8
480.22754	0.6
489.15128	0.5
490.16473	0.9
491.17209	30.2
492.17630	5.5
505.18845	4.4
506.19489	6.8
507.20361	3.5
519.20599	1.5
520.21222	1.8
523.19916	2.3
524.20502	0.9
538.22186	27.3
539.22748	10.0
540.23578	1.1
552.23120	0.7
593.24103	6.1
594.24829	1.0
625.26935	100.0
625.79156	0.9
626.27209	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	625.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65953	0.4
59.01384	100.0
60.01716	1.1
61.98837	1.3
64.77560	0.4
71.01392	0.8
78.95910	0.4
85.02968	0.7
92.61280	0.3
93.03479	1.5
97.03044	0.4
98.19809	0.7
101.02492	0.6
109.02950	0.4
111.04585	0.4
113.02438	0.5
125.09781	0.5
127.67833	0.4
135.04570	0.8
137.02507	0.4
151.03995	0.4
161.04614	0.5
173.04564	2.7
178.02644	0.4
179.03503	5.3
191.05670	2.9
193.08772	0.8
194.05884	5.3
197.11836	2.0
209.08223	9.3
209.11716	2.3
403.17621	0.6
423.72540	0.5
549.71393	0.4
625.29871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85228	0.3
57.03452	0.8
59.01384	100.0
60.01704	0.9
61.98830	5.6
64.59714	0.3
67.08551	0.3
69.88250	1.8
69.88663	0.6
71.01396	2.6
73.02970	1.1
78.95921	1.1
83.01434	0.7
83.05026	0.6
85.02978	1.6
87.00893	0.4
88.98837	0.6
89.02492	0.6
93.03475	1.7
96.96033	0.9
96.96998	0.6
99.04526	0.4
101.02466	2.2
109.02976	1.0
113.02486	1.0
116.92898	0.4
118.98133	0.4
121.03002	0.8
123.04535	0.4
125.02480	1.3
128.74544	0.3
133.02945	0.6
135.04547	1.6
137.02458	1.0
147.04503	0.4
151.00380	0.8
151.03917	0.8
152.07166	0.4
152.99533	0.6
155.03519	0.5
161.02463	7.3
161.04533	2.2
161.05881	0.4
162.02884	0.6
163.04173	0.4
165.01938	0.4
173.04617	2.3
176.04822	5.3
179.03525	11.3
180.03908	0.9
191.05620	4.3
191.07207	2.9
192.05988	0.5
194.05858	17.4
195.06204	0.8
209.08208	70.7
210.08554	4.4
239.03882	0.5
253.04930	0.4
255.03052	0.4
270.07385	0.4
271.02631	0.6
289.07214	0.7
290.07306	0.4
298.70880	0.4
299.01880	0.5
300.02722	1.0
353.08994	0.6
394.31052	0.4
403.17654	16.0
404.17966	1.6
405.06122	1.1
446.43118	0.4
447.08099	0.4
479.09885	0.4
507.01230	0.4
612.17468	1.2
625.15009	2.2
625.25897	1.1
626.15314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
58.30699	0.3
59.01383	14.1
61.98615	0.3
61.98837	3.3
65.00316	0.4
67.01883	0.4
70.99472	1.0
71.01395	2.1
73.02967	0.4
78.95908	1.0
83.01402	1.0
83.90461	0.4
85.02957	1.3
87.00908	0.4
89.02487	0.8
93.03479	2.1
99.04518	0.7
101.02455	1.1
107.01421	0.4
109.02969	0.9
111.00862	0.6
111.04532	0.4
112.98853	0.4
113.02455	0.7
119.04986	0.4
123.00922	1.0
124.01683	1.0
125.02474	2.2
127.00394	0.5
135.04556	2.3
137.02469	1.8
138.03236	0.6
139.00409	2.9
139.04021	1.1
140.04425	0.3
151.00391	10.2
151.04004	0.9
152.01183	5.6
153.01944	1.8
153.05594	0.5
154.02667	0.5
161.02444	0.8
161.04617	0.8
163.04053	0.8
163.07617	0.9
164.04825	0.9
165.01958	0.4
166.02744	29.7
167.03528	7.2
168.03928	0.4
168.57922	0.4
173.04561	2.3
173.05946	0.7
174.04703	0.3
175.04028	1.2
176.04660	1.1
178.06328	0.8
178.99860	0.6
179.03560	1.1
179.07138	1.5
180.04320	1.1
181.05089	39.3
182.05380	1.9
189.05524	0.7
190.06396	6.3
191.05600	5.8
191.07195	4.4
192.07721	0.6
193.05087	0.5
193.08727	0.7
194.05830	1.0
195.06613	1.6
201.05614	0.6
205.08762	2.7
206.09433	1.8
208.07423	0.6
209.08237	0.6
209.11824	0.8
213.98466	0.3
221.08128	0.7
221.11754	0.5
233.08203	1.0
234.08858	0.4
243.02982	0.4
243.36494	0.4
271.02448	1.3
299.01962	1.9
300.02509	0.5
345.13431	0.9
355.11856	2.3
370.14224	1.6
373.12955	7.3
374.13318	1.1
385.16571	1.2
388.15332	8.6
389.15829	0.8
403.17657	100.0
404.17981	14.1
445.07629	1.1
531.15283	0.7
612.18060	0.6
625.15369	0.7
625.38354	1.2
649.91400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.9
63.02401	2.2
65.00322	3.0
77.76506	0.4
83.01398	2.3
85.88532	0.4
89.14087	0.4
98.20663	0.7
107.01416	5.6
113.42229	0.4
116.92898	1.2
117.92880	0.5
121.03008	0.9
124.01685	0.8
125.02451	2.6
143.03813	0.4
146.03766	0.6
150.99182	0.8
151.00400	15.1
152.01077	1.3
153.02008	0.5
163.00410	1.4
169.01436	2.9
172.05283	0.8
173.04649	0.7
178.99898	10.6
180.00230	0.8
191.05672	1.1
192.00624	0.5
196.05278	0.4
197.06152	0.6
199.04099	0.7
202.45294	0.4
209.00833	0.5
211.04025	0.5
224.04807	1.5
225.05635	0.4
226.06123	0.5
227.03639	0.6
235.03917	0.4
237.05675	0.7
238.06555	0.7
238.21124	0.4
240.04466	0.4
240.07750	0.4
241.05115	1.0
255.02988	0.5
264.04385	0.5
265.04721	0.7
268.03793	0.5
270.05478	0.4
271.17041	2.3
272.17361	0.5
277.05191	0.5
280.03787	1.6
281.04422	0.5
292.03870	1.3
293.04431	0.6
295.02588	2.2
296.03174	1.4
299.16553	1.8
304.03806	1.2
305.04648	0.7
307.02621	0.4
307.06091	0.5
308.03281	1.2
309.03986	0.8
317.04648	0.6
318.05219	0.9
320.03165	2.2
321.04041	2.0
322.04843	2.7
323.01947	1.6
323.16528	5.5
324.02747	2.3
324.16928	1.3
333.04053	1.3
334.04694	0.5
335.02026	1.0
335.05725	1.1
336.02682	0.9
338.04181	0.8
347.02029	0.8
347.16541	1.0
348.02759	21.5
349.03296	3.4
351.05191	1.1
353.14044	0.7
361.03516	4.2
362.04312	3.6
365.17621	2.8
377.10324	0.6
389.17560	0.7
391.15894	0.5
393.17139	1.4
395.18817	1.0
405.17062	0.8
407.18683	0.9
416.76956	0.5
417.17188	0.6
421.16434	1.2
423.18161	1.3
433.16537	2.8
434.17331	0.7
450.16690	1.0
451.17618	10.0
452.17886	1.4
461.16074	75.5
462.16406	13.0
464.28101	1.2
478.16351	9.0
479.17105	55.7
480.17505	10.0
625.23047	100.0
626.23407	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	625.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75753	0.3
63.02427	0.6
65.00332	0.7
70.22009	1.9
73.63029	0.4
83.01394	0.8
93.03452	0.5
96.35524	0.4
96.96039	1.4
96.96999	0.7
107.01405	1.6
109.02962	1.1
119.05048	0.8
121.02974	1.1
125.02484	0.5
133.02988	0.6
147.00897	0.5
149.02475	0.6
149.38045	0.3
151.00400	8.2
163.00444	0.6
163.04059	0.6
171.04570	0.9
173.02585	0.4
173.04518	0.7
175.00378	1.0
175.03957	0.5
178.99898	1.5
181.01505	0.3
187.03941	0.6
189.01813	0.4
191.05638	1.4
193.01337	0.4
199.04042	3.1
201.01944	0.8
203.03551	0.7
214.02945	0.3
215.03500	1.4
226.02730	0.8
227.03545	3.2
229.04922	0.6
243.02980	3.6
255.03004	2.0
256.03409	0.4
271.02478	55.5
272.02844	4.2
299.01993	100.0
300.02560	18.2
301.03549	40.2
302.03967	3.6
313.03522	0.8
343.04614	1.4
423.77124	0.4
462.08051	21.3
463.08795	31.0
464.09097	4.5
505.10065	0.6
521.15479	0.4
546.39764	0.4
625.14233	81.3
626.14594	15.5
635.72235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
63.02402	0.6
65.00328	1.0
69.81811	2.1
83.01382	0.9
101.02454	0.3
107.01411	1.8
108.02198	1.4
109.02966	0.8
112.27283	0.3
113.02509	0.3
114.72896	0.3
121.02969	1.0
135.00960	0.8
148.01668	1.3
149.02432	0.3
151.00394	8.1
152.00945	0.4
153.21611	0.3
163.00412	1.2
164.01147	0.7
165.02063	0.3
169.01440	0.6
178.99883	5.5
187.04021	0.5
191.05687	0.6
192.00557	0.4
199.04115	0.4
201.05647	0.3
211.03992	0.7
215.03465	1.0
216.04305	0.6
226.02696	1.3
227.03510	2.7
229.05045	0.6
232.80287	0.3
243.02979	11.6
244.03433	1.1
245.04640	0.4
254.02223	2.5
255.02979	28.1
256.03314	2.6
271.02466	60.5
272.02856	6.1
273.03882	0.5
299.01996	2.9
300.02759	100.0
301.03363	23.0
302.03918	1.2
355.04855	0.4
361.71075	0.3
445.07532	0.6
463.08719	3.6
505.09650	0.4
563.13947	0.4
622.15344	0.4
625.14227	77.9
626.14624	14.8
633.83582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
60.34794	0.3
63.02414	0.4
65.00343	0.9
69.93002	1.5
69.93423	0.5
71.01389	0.6
75.00889	2.0
78.95920	0.7
79.03699	0.2
82.33241	0.3
83.01402	0.7
85.02968	0.9
89.02451	0.6
93.03481	1.6
96.96025	1.1
96.96967	0.8
101.02450	0.4
105.25145	0.3
107.01398	1.7
109.02981	1.6
113.02490	0.4
119.05048	0.5
119.25798	0.3
121.02982	1.1
125.02480	0.7
133.03030	0.9
135.00882	0.4
135.04503	0.4
137.02412	0.5
143.05017	0.5
145.02989	0.7
149.02379	0.4
151.00404	8.1
152.01176	0.6
155.05011	0.4
161.02478	0.5
163.00366	0.9
163.03998	0.6
165.01933	0.7
167.04912	0.4
169.01454	0.5
171.04587	0.7
173.04535	0.9
175.00394	1.1
175.03999	0.8
178.99890	1.6
179.03516	0.7
183.04623	0.4
187.04054	0.9
189.02022	0.5
189.05704	0.3
190.99719	0.4
191.05614	3.3
193.01404	0.5
199.04045	3.1
201.02103	0.7
201.05656	0.3
203.03491	0.5
211.04059	0.6
213.02054	0.3
215.03488	2.0
226.02699	1.2
227.03534	2.7
228.04137	0.4
229.05185	0.5
243.02982	4.8
254.02100	0.9
255.02936	2.4
271.02475	53.6
272.02841	4.9
273.03766	0.6
285.04034	0.3
297.04077	0.4
299.01987	100.0
300.02554	17.8
301.03552	43.6
302.03949	3.6
302.10309	0.3
313.03467	0.9
343.04602	0.9
462.08051	22.0
463.08786	34.7
464.09195	3.9
464.15308	0.4
505.09940	1.1
540.02216	0.3
625.14252	85.1
626.14600	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	625.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03513	0.8
59.01461	2.8
59.17968	0.4
61.98918	7.7
65.00407	0.8
69.41209	5.2
71.01138	0.5
71.01490	1.7
73.03036	0.5
75.82485	0.4
78.95984	0.9
83.01511	1.7
85.03075	2.0
88.98925	2.0
89.02522	0.6
93.03596	2.5
98.19946	1.1
99.01016	0.5
101.02547	1.0
107.01521	1.0
108.02276	0.7
109.02977	2.3
113.02588	0.7
116.92983	0.7
121.03110	1.6
123.04622	0.7
124.01807	0.8
125.02449	2.8
133.03040	0.8
135.04691	1.9
137.02521	0.9
139.04062	0.7
145.03072	0.8
148.01830	0.9
149.02548	1.0
151.00381	4.0
151.04086	1.0
152.01337	1.8
152.99683	0.7
161.02617	1.8
161.04657	0.6
165.02113	1.2
169.01582	0.7
173.04538	3.8
174.03362	1.3
175.00447	0.7
175.04192	0.8
177.02008	1.2
178.99911	2.5
179.03647	1.8
185.02632	0.6
191.05629	9.9
194.05792	0.7
198.03270	0.7
202.99983	1.1
214.02928	2.2
225.01944	5.1
226.02634	1.0
227.03694	1.2
228.04335	1.0
229.01431	0.8
241.01520	0.5
241.05272	1.8
242.02408	1.5
243.02968	3.7
244.03511	0.6
253.01613	1.3
254.02280	0.8
255.03040	1.2
256.03748	0.8
257.04434	0.7
265.92722	0.5
267.03098	0.6
267.06628	0.6
269.00912	22.7
270.01260	2.5
270.75516	0.5
271.02539	2.3
281.01105	1.6
282.01749	4.2
283.02469	5.6
283.05466	0.6
284.03363	1.9
285.04190	1.9
291.06589	0.6
295.06189	1.3
299.02142	2.2
300.02771	2.5
301.03796	1.8
306.05496	0.8
307.02747	0.7
309.00452	0.6
317.04764	1.8
318.05243	0.5
319.06006	2.7
321.04233	0.6
325.03589	0.6
329.03775	2.1
333.04083	1.4
334.05002	1.8
344.03598	0.6
345.04034	5.3
346.04800	2.0
347.05676	1.9
353.03073	1.0
353.09375	0.6
357.02551	2.7
361.03506	6.8
362.04269	2.1
363.05054	3.4
364.05612	0.6
373.03555	20.1
374.03989	4.4
375.05194	2.1
387.90234	0.5
389.03024	13.2
390.03796	8.8
391.04575	10.1
392.04935	0.8
401.03244	0.7
405.06125	1.1
418.03308	39.0
419.04050	57.2
420.04572	7.6
431.03854	0.7
433.05731	1.7
434.06351	1.2
435.07550	0.6
445.07858	0.6
447.07184	8.1
448.08359	0.9
478.05594	1.9
479.05914	4.1
480.06412	0.6
499.06693	0.9
531.11743	0.7
565.09937	100.0
566.10272	19.7
581.12805	3.0
593.12775	2.4
595.11267	1.1
624.37329	0.6
625.12042	28.0
625.27423	1.3
625.66315	0.6
626.12189	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	624.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54235	1.1
61.32068	1.1
61.98832	100.0
66.22742	1.2
68.99831	2.9
70.83600	1.4
70.83934	2.8
77.66455	1.0
84.02151	1.6
94.14091	1.1
102.95480	1.2
104.30098	1.3
110.69900	1.4
114.59755	1.1
141.12837	2.4
153.05594	2.4
157.49825	1.1
163.04004	5.4
171.13927	18.3
178.06366	1.6
179.14389	2.0
191.03539	6.3
193.08667	4.7
195.13910	16.6
197.15434	6.4
234.99176	1.3
304.17020	1.4
319.19247	4.4
333.27847	1.8
345.20670	4.7
350.28131	7.8
351.28958	6.4
360.19452	2.6
375.21561	5.7
375.25601	2.8
389.23187	7.2
419.24591	1.6
500.34732	2.1
515.37396	9.1
516.37787	2.6
543.36334	1.5
561.37976	17.1
562.38470	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	623.1639
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
56.10486	0.2
56.72366	0.3
57.03452	0.4
57.50426	0.2
59.01380	3.0
60.99306	0.4
61.98832	4.8
62.92518	0.3
63.02430	0.4
64.69859	0.2
65.00338	1.0
66.72451	0.3
69.69436	0.8
69.69848	1.3
71.01397	1.1
72.18633	0.3
73.02956	0.3
77.53316	0.3
79.10583	0.2
83.01378	0.5
83.51221	0.3
85.02960	0.9
87.00874	0.4
88.98830	1.0
89.02460	0.5
93.03481	1.3
97.02979	0.7
101.02467	0.8
107.01374	0.4
108.02270	0.3
109.02979	2.3
113.02502	0.5
116.92899	0.5
119.05049	0.3
121.02982	3.4
125.02450	0.9
133.02954	0.4
135.04533	0.8
137.02457	0.7
145.02968	0.4
148.01685	0.3
149.02483	0.7
149.99597	0.4
151.00388	1.8
151.04039	0.5
159.91368	0.3
161.02502	0.5
163.00388	0.7
163.04079	0.3
165.01953	11.0
166.02307	0.4
168.46483	0.2
171.04546	0.6
173.04521	1.3
175.04047	0.4
178.99881	0.9
179.03497	0.6
183.02968	0.4
183.04456	0.4
187.04053	0.5
187.73189	0.3
190.02545	0.3
191.03773	0.3
191.05602	3.4
193.01440	2.4
199.04018	2.1
201.01955	0.6
215.03572	1.0
219.34113	0.3
226.02721	1.0
227.03493	3.0
228.04218	0.6
239.06996	0.3
242.02251	0.6
243.03004	4.5
244.03638	0.5
254.02185	1.2
255.03076	2.0
256.03595	0.4
257.04541	0.6
259.06039	0.6
269.04529	2.1
270.01694	0.5
271.02475	48.9
272.02869	4.5
282.01645	0.3
285.03998	1.7
286.04532	0.4
287.05710	1.2
297.03870	0.4
299.01987	72.7
300.02548	11.6
301.03152	0.7
313.03503	0.4
314.04333	69.0
315.05035	34.9
316.05463	2.6
326.11847	0.4
341.14084	0.9
357.06293	0.8
398.09723	0.5
543.15015	0.5
560.15198	1.3
561.15918	0.4
622.37860	0.6
623.16302	100.0
624.16626	17.2
624.27057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
63.02407	0.5
65.00335	1.0
71.04160	0.8
71.04506	0.3
83.01391	0.6
85.02958	0.6
91.01949	0.4
93.03459	0.6
97.41488	0.4
107.01414	1.3
108.02217	0.6
125.02476	0.5
135.04556	0.7
137.02576	0.4
145.02945	0.6
147.00946	0.4
151.00392	4.4
151.21512	0.4
155.05013	0.4
161.02469	0.7
163.00380	1.0
169.01500	0.4
171.04539	0.5
173.04608	0.9
178.99878	0.7
183.04518	0.9
187.03990	0.7
189.01929	0.4
191.05673	1.6
199.03972	4.1
200.04762	0.5
201.01871	0.6
203.03520	0.5
207.10216	0.7
211.04077	0.6
215.03531	1.8
216.04263	0.5
226.02727	1.0
227.03493	6.0
228.03999	0.6
242.02217	2.4
243.02991	25.5
244.03587	2.5
254.02179	1.4
255.02994	17.1
256.03406	1.9
257.04553	2.9
259.06073	1.0
270.01694	3.6
271.02460	43.0
272.03024	7.1
278.53372	0.4
285.04080	6.3
286.04782	2.9
287.05643	1.8
288.06219	0.4
299.01990	42.4
300.02734	40.8
301.03131	3.8
313.03732	0.5
314.04327	36.6
315.05087	100.0
316.05457	10.4
319.08041	0.5
352.08389	0.4
357.06351	0.6
461.05017	1.1
571.02435	0.4
623.16321	91.3
624.16644	17.4
624.27039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1639
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
57.03449	1.5
59.01381	2.2
61.98832	1.7
71.01369	3.7
71.70753	1.3
73.02920	0.8
75.00314	0.6
81.03472	1.2
83.01412	1.0
85.02966	4.4
87.00896	1.6
89.02448	1.7
93.03472	4.7
95.01411	2.7
97.02977	1.0
99.00892	1.7
101.02451	2.0
108.02196	51.0
109.02998	18.6
110.03294	0.7
111.04547	0.8
113.02451	1.6
117.03490	16.8
118.03777	0.9
119.05052	13.3
121.02991	1.6
123.04544	1.3
125.02473	2.0
133.02985	0.7
135.00897	0.8
135.04546	3.1
137.02449	1.8
145.02980	79.5
146.03316	3.7
147.04521	0.7
149.02486	2.0
151.00443	1.5
151.04019	2.0
152.01183	68.7
153.01970	27.2
155.03535	1.2
161.02425	1.6
161.06122	0.9
163.04056	10.1
165.01970	1.6
166.02615	0.8
167.03540	1.3
173.04585	3.8
175.03946	0.9
178.99889	1.1
179.03522	2.0
180.83125	0.8
185.01831	0.6
187.04117	0.8
187.07683	1.2
191.05653	10.7
195.02954	1.0
205.05014	1.1
213.05699	1.5
226.04178	0.7
271.02563	1.0
275.09302	0.8
281.04489	1.2
282.51825	0.7
299.01996	1.1
307.08197	5.1
315.03711	1.3
315.07242	20.1
315.10922	1.1
316.07520	1.8
371.69220	0.7
417.12033	2.3
429.97614	0.7
431.10016	1.6
449.14429	2.7
461.05356	2.1
461.10898	37.5
462.11362	4.0
503.11752	4.1
544.86041	0.6
563.27643	0.8
623.16345	100.0
624.16693	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	623.1631
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
53.27306	0.5
57.69626	0.5
58.57328	0.6
59.01354	1.1
61.98825	0.5
71.01382	1.9
71.69831	0.7
72.99308	0.7
74.55012	0.6
77.26634	0.7
81.03443	0.8
83.01392	0.8
85.02947	1.8
87.00864	0.9
88.98820	5.9
89.02445	1.0
93.03449	2.8
95.01346	0.8
101.02444	1.2
103.82240	0.5
108.02193	44.8
109.02337	1.0
109.02987	16.7
117.03486	12.3
119.05047	5.7
121.02950	1.1
123.47538	0.6
125.02486	0.8
133.02972	1.2
134.03693	0.8
135.04535	4.6
137.02446	1.2
145.02974	59.9
146.03316	2.6
147.04488	0.6
149.02452	1.2
151.04051	0.8
152.01175	64.5
153.01976	18.0
154.02310	0.8
161.02448	1.7
161.06082	0.9
163.03990	6.3
165.01956	1.2
173.04532	2.1
179.03502	2.2
180.03836	0.7
187.03979	1.0
191.05618	9.1
203.10725	1.2
213.05525	2.1
269.04633	0.7
295.41312	0.6
307.08240	3.5
311.05585	1.9
312.06366	7.4
313.06989	1.2
315.07239	17.2
315.10916	0.8
316.07501	2.0
335.07858	1.1
336.08289	1.0
383.07816	5.3
384.08173	1.2
413.08621	2.8
417.11874	0.8
449.14621	0.8
461.10895	29.5
462.11401	4.0
503.11581	3.2
623.16315	100.0
624.16565	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	621.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88689	1.6
56.91922	1.7
60.99313	23.5
61.98825	5.8
62.77925	1.8
70.27320	4.1
70.27715	3.9
78.95892	2.6
88.98817	100.0
92.68748	1.9
93.03479	11.4
99.40249	1.7
109.02964	2.7
111.04554	3.9
131.05074	1.7
137.02478	8.2
153.01910	3.1
155.03531	2.8
158.03749	2.4
159.04539	28.7
161.02467	14.2
162.03256	4.3
171.13896	4.5
173.04527	4.2
174.03244	6.8
175.04012	9.1
176.04819	16.6
177.05621	11.5
188.66072	2.1
189.01926	3.4
202.02724	3.1
203.03534	16.8
221.04634	2.1
263.88330	2.0
285.18484	5.8
294.52075	2.2
303.19653	2.9
313.18103	98.1
314.18488	12.5
315.15982	7.6
329.18024	3.9
331.19058	14.6
332.19299	2.6
357.17053	44.5
358.17313	6.2
359.07751	26.4
375.18149	8.8
513.21301	85.9
514.21613	14.8
526.91504	1.9
531.14691	1.5
531.22266	38.3
532.22748	6.8
555.02258	1.9
621.33508	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	623.1423
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
57.03437	0.5
59.01385	2.7
61.98833	7.2
63.02392	0.9
65.00329	0.9
71.01369	1.7
71.71356	0.4
71.71777	0.4
72.34948	0.3
78.15366	0.3
83.01399	0.9
85.02971	0.9
87.00893	0.5
88.98830	2.5
89.02456	1.4
93.03496	0.8
99.04513	0.5
101.02452	0.9
105.03487	0.5
107.01392	2.4
109.02954	1.2
113.02464	0.5
117.03489	0.5
119.05035	0.4
121.02977	1.3
125.02503	0.7
132.02211	2.2
133.02972	10.3
134.03787	2.9
135.04572	4.6
137.02426	0.6
149.02440	0.9
149.06062	0.8
151.00372	4.4
151.04013	0.7
160.01682	7.0
161.02478	12.0
161.04507	0.5
162.02866	0.6
163.00323	0.3
166.90617	0.3
169.01477	0.5
171.04547	0.4
173.04549	1.2
175.04044	6.5
176.04330	0.4
177.01959	1.0
177.05568	0.7
179.03520	3.4
185.06140	0.5
188.04703	0.4
191.03969	0.3
191.05563	2.1
193.05058	1.2
194.05840	0.4
198.03282	0.6
199.04041	2.5
200.04628	0.4
201.01935	0.7
209.08212	1.0
212.04886	0.5
213.05522	0.6
217.05072	1.5
221.04610	1.3
227.03514	0.8
229.05043	0.5
238.15421	0.3
241.05095	0.9
243.03040	0.7
255.03003	1.3
256.03751	2.3
257.04285	0.6
263.05609	0.4
283.02484	0.6
284.03259	30.8
285.04037	100.0
286.04364	8.3
297.03983	0.5
299.05603	17.3
300.02921	0.5
300.05984	1.6
301.03311	0.5
313.03506	0.8
315.05066	0.6
323.07736	11.9
324.08170	0.7
327.05035	0.5
447.09241	2.7
544.39258	0.4
623.14221	56.8
624.14471	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	619.2579
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.26105	1.7
59.01345	2.1
61.98814	5.0
62.03259	1.8
62.65316	1.7
70.54343	4.7
78.95904	15.0
81.60562	1.9
118.46555	1.9
152.99593	13.5
191.09850	1.8
209.11856	4.6
239.22569	1.7
245.79420	2.1
255.23343	8.7
261.08350	2.0
340.39014	2.0
391.22415	3.0
415.15793	4.6
416.16467	13.8
417.16794	3.2
430.18054	3.0
459.18256	99.7
460.18668	20.3
473.19858	16.3
474.20499	7.7
518.19598	48.1
519.20068	8.8
532.21118	8.8
533.21948	92.6
534.22009	18.6
587.23053	6.1
619.25800	100.0
619.35565	6.4
620.26123	29.2
620.35840	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	619.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
59.01384	8.7
61.98829	5.1
69.03474	2.1
71.01389	5.7
71.70667	2.2
72.99321	10.5
75.00883	19.2
78.95905	2.3
85.02970	3.9
87.00867	6.5
89.02470	4.9
93.03473	6.4
97.02975	1.4
101.02471	2.8
109.03027	1.4
111.00925	2.0
111.04523	1.9
112.98810	2.7
124.01667	2.3
129.02020	1.6
135.03024	47.0
137.02441	2.2
142.99890	2.0
147.03003	1.4
152.99564	1.3
155.03525	1.4
171.10355	1.5
173.00922	2.2
173.04610	8.9
173.08168	1.4
179.14494	2.2
181.16010	18.5
187.17033	1.5
191.05640	15.8
193.16014	10.7
195.13835	1.3
197.15488	3.4
209.15463	6.8
221.15570	4.2
225.14946	4.4
235.13441	5.2
237.15007	14.4
239.16483	1.4
249.14926	3.9
251.16522	4.6
253.14299	1.9
265.14450	100.0
266.14761	10.8
267.15918	8.9
277.14172	1.5
277.21719	4.9
279.16040	6.2
283.13416	5.6
285.17285	3.4
287.22488	1.4
293.14108	2.6
301.02945	1.4
301.14328	1.6
325.16513	5.9
345.17334	1.5
385.31906	1.6
432.19864	1.4
473.26230	1.4
618.78229	2.2
619.28674	9.5
619.78931	4.2
620.28912	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	618.257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60939	1.3
57.03450	1.7
59.01383	21.1
61.98826	7.3
65.03954	3.2
69.03432	1.6
71.01392	6.6
71.69761	1.8
73.02974	3.6
81.03478	4.5
83.01368	1.8
83.05029	11.5
85.02969	6.2
87.00909	1.7
88.98814	2.7
89.02457	3.6
93.03471	70.9
94.03795	3.4
98.02483	7.6
101.02457	3.6
101.06080	1.3
104.03535	2.3
109.02997	4.2
111.04538	20.3
113.02444	2.0
113.59998	1.3
133.03004	1.6
134.02495	2.9
134.03726	3.9
135.04553	5.5
137.02467	47.5
146.03761	2.8
146.06032	1.6
147.04584	1.7
155.03532	43.6
156.03914	1.8
158.03850	1.6
159.04468	6.7
161.02444	4.0
161.04681	1.7
161.06027	3.1
162.01942	2.0
171.10289	59.2
172.05276	1.5
172.10616	16.2
173.02448	2.0
173.04634	15.4
174.03183	5.0
174.05611	21.6
175.04031	3.3
179.03497	3.8
184.06154	4.5
186.05617	2.0
187.04065	15.2
188.04808	5.9
189.05486	2.1
191.05627	27.0
192.05865	2.0
193.05040	1.5
198.05600	2.4
199.03979	1.5
200.03491	16.9
200.07074	1.5
201.04169	2.2
202.05095	2.0
203.03455	3.1
209.11853	39.1
210.05577	5.0
210.12207	20.2
214.02785	4.1
214.05104	5.3
215.05673	29.3
216.06657	3.0
227.03511	3.1
227.05676	2.0
227.12878	5.3
228.06657	6.6
228.13203	3.0
235.08208	2.4
240.06523	1.7
241.03825	3.7
245.06894	9.6
246.07664	3.9
253.09308	4.2
269.44049	1.5
280.15582	3.2
285.18539	2.6
297.08368	1.9
300.17474	1.5
312.57919	1.4
313.18094	25.5
314.17633	86.2
315.17523	8.2
326.21216	4.0
328.19336	15.3
329.17349	7.4
330.17905	2.2
338.19705	15.7
340.19293	17.0
341.17496	40.2
342.18030	8.2
352.19281	4.6
353.47086	1.4
354.17264	7.9
356.22302	10.5
357.17047	7.1
358.20255	2.0
364.41229	1.5
370.20242	13.9
374.23328	6.1
382.20181	10.6
383.20593	1.4
400.21326	100.0
401.21558	14.1
401.40512	1.5
402.19397	1.5
414.19128	1.8
418.22345	3.3
444.20349	2.3
462.21454	2.5
513.21204	7.3
514.21277	1.7
532.13293	1.4
556.25281	2.6
582.20984	2.6
618.26001	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	618.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07188	0.8
57.03441	0.9
58.02975	11.0
59.01371	2.2
60.99327	1.0
61.98823	2.7
67.01890	4.7
69.03495	1.0
69.73064	4.1
69.73473	1.8
70.02983	6.1
71.01035	0.7
71.01385	5.1
72.00914	2.7
75.00861	0.8
81.03415	1.1
83.05049	1.1
85.02972	1.6
91.05541	3.1
93.03471	25.4
94.03784	1.4
96.96015	1.3
96.97000	1.3
99.00903	0.9
101.02479	1.5
104.15132	1.0
108.02194	1.0
109.02975	2.1
111.04531	4.5
117.03447	1.3
131.84642	0.7
134.03758	17.4
135.04547	1.5
137.02513	4.2
147.04539	22.1
149.06097	1.2
149.76689	0.8
155.03511	3.8
163.03877	0.9
164.07187	59.5
165.07474	2.5
173.04581	100.0
174.04890	3.6
179.03522	1.4
191.05659	7.9
193.05084	15.9
206.08244	95.8
207.08594	7.2
216.98677	0.8
230.63094	0.8
255.02838	1.0
271.02444	2.7
281.95587	0.9
299.01920	2.7
300.02774	6.1
301.03473	2.6
367.10394	24.5
368.11026	2.2
462.07779	1.3
463.08765	6.7
493.80124	1.0
609.70184	1.0
646.97284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2466
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
50.74706	0.3
51.93919	0.3
57.03439	0.7
61.98820	0.7
63.02394	1.8
65.00327	4.3
66.91508	0.3
67.82792	0.4
68.99815	0.4
69.56165	2.0
69.56582	1.1
75.35560	0.3
83.01405	2.6
93.03456	0.6
95.01417	0.9
96.02209	0.3
97.03008	0.4
98.19908	0.7
101.24924	0.4
107.01410	7.8
107.05046	0.4
111.00889	1.3
115.19662	0.4
123.00885	1.5
124.00842	0.6
124.01686	10.3
125.02485	7.4
133.02943	0.8
135.04550	1.3
137.02490	0.5
139.00362	1.5
141.01936	1.3
145.02954	0.7
151.00395	29.2
152.01183	44.0
153.01598	2.1
156.98851	0.4
161.02469	5.7
162.03207	1.9
163.00385	0.8
163.04031	6.3
169.01451	4.1
173.04527	0.6
175.04071	0.7
178.99881	31.6
179.03334	0.8
180.00247	1.0
181.66560	0.3
187.46680	0.3
189.01974	2.9
192.00609	1.8
193.01456	0.9
199.04080	0.6
203.03458	0.6
207.03023	0.8
227.03445	1.0
241.05164	0.4
243.02988	1.3
255.02913	0.5
256.03720	0.6
267.02933	0.5
269.04840	0.4
271.02518	2.4
272.03256	0.5
285.03998	1.5
287.16522	1.3
289.18045	1.6
295.02542	0.9
296.03253	2.3
297.04034	5.2
298.04498	0.5
299.01941	5.0
299.16504	0.7
300.02734	5.9
301.03360	0.5
313.03494	1.0
314.04367	2.0
315.05081	0.5
315.15912	0.8
316.16721	1.3
317.17532	5.0
318.17896	0.6
327.01578	0.4
341.02844	0.4
343.15488	7.9
344.15930	0.8
433.16455	1.0
451.17557	2.2
452.17761	0.6
468.18085	1.9
469.18655	22.2
470.18945	3.1
597.24072	0.4
615.24609	100.0
616.24969	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	615.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	1.5
61.98808	1.8
63.02364	2.8
65.00317	5.9
71.01363	1.1
71.71169	0.9
83.01389	4.1
88.98745	0.9
89.02442	1.3
93.03433	1.9
102.42652	0.9
107.01411	9.5
121.02901	0.9
124.01591	3.7
124.34927	0.8
125.02476	7.0
135.04442	0.9
137.02434	1.2
141.01889	1.1
151.00392	35.2
152.01183	15.3
161.02374	1.3
163.00296	1.6
165.01852	2.3
167.03441	1.0
169.01465	7.2
173.04483	1.1
175.66910	0.9
178.99875	20.8
180.00143	1.5
183.04449	1.3
184.64156	0.8
189.01888	1.1
191.05547	1.6
193.01358	1.7
199.03951	1.0
203.03371	1.7
211.03847	1.0
217.05045	1.2
224.04732	0.9
226.02505	1.2
227.03358	3.3
228.04137	1.8
240.04134	1.1
241.05107	1.4
243.02890	2.0
252.04083	1.0
254.02100	1.3
255.02878	4.9
256.03470	3.8
267.02890	0.8
268.03610	2.0
270.04935	1.0
271.02475	5.3
280.03534	2.1
282.01361	2.8
283.02405	2.0
284.03027	2.5
285.14771	2.3
295.02304	1.7
296.02951	1.9
297.03690	2.3
298.01279	0.9
298.04498	2.6
299.02155	4.0
299.12628	2.4
300.02731	8.0
301.03195	2.3
303.15860	2.0
310.01163	5.1
311.01993	7.8
312.02319	1.4
313.14331	5.0
322.04587	2.5
323.05115	1.0
324.02567	3.7
327.01468	69.3
328.01822	7.4
331.15588	4.9
339.12128	2.5
343.15237	2.5
344.16141	1.0
352.02258	4.0
353.02686	3.0
355.15488	5.0
379.15582	4.3
395.14709	1.6
397.16544	10.1
409.15906	1.2
421.16745	5.1
422.16937	1.2
423.14050	1.3
437.15881	4.7
438.16025	1.2
447.14297	1.9
465.15536	100.0
466.15912	16.8
469.18552	5.9
504.95099	0.9
615.20947	50.7
616.21240	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	613.137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35984	0.3
59.01423	0.9
61.98828	2.6
70.27948	0.5
70.28363	1.1
71.01447	0.5
77.17687	0.3
81.03516	0.5
85.03020	0.4
88.98878	0.5
93.03487	1.5
95.05118	1.2
96.96081	0.6
98.19960	0.4
101.02469	0.4
108.02194	2.1
109.02966	30.8
110.03378	1.1
111.04561	0.4
116.92906	0.3
119.05114	0.9
121.03008	0.7
122.03783	0.7
123.04542	13.0
124.04955	0.4
125.02549	0.4
131.39554	0.3
133.02982	1.7
134.89542	0.3
135.04533	2.7
137.02478	0.7
139.71349	0.3
145.03052	0.8
147.04642	1.0
149.02551	1.0
150.03319	1.1
151.00458	0.4
151.04033	10.8
152.01202	0.5
152.04378	0.5
153.01987	0.3
155.03505	0.5
159.04543	0.6
161.02477	4.0
163.04065	0.8
165.05638	0.4
169.01468	0.3
169.03020	0.6
173.04646	1.3
173.06032	0.3
175.03989	0.5
176.01234	0.5
177.01935	7.8
178.02409	0.6
179.03607	0.8
187.04071	1.1
189.01941	16.1
190.02670	3.1
191.03606	2.5
191.05710	1.4
197.02556	0.9
198.03307	0.5
199.04164	0.3
201.02051	1.0
202.02750	1.5
203.03505	4.1
209.06055	0.4
211.04031	0.6
213.02011	0.6
213.05675	0.8
214.02693	1.5
215.03497	12.4
216.00571	1.6
216.04018	0.9
217.01416	13.2
217.05028	0.8
218.01918	1.4
219.02980	4.4
219.04958	0.4
225.01990	0.4
227.03491	0.5
229.01431	4.1
229.05037	1.7
231.02985	4.1
232.03487	0.5
234.01633	1.9
239.03445	2.1
241.05049	0.6
242.02202	8.2
243.02939	7.4
244.03578	0.5
245.04578	1.0
246.01720	0.8
247.94730	0.3
251.07132	0.4
253.05078	0.6
255.02905	1.9
255.57315	0.3
257.04578	1.7
261.05563	0.3
263.03424	0.5
265.05145	0.9
266.02216	0.4
267.06659	0.7
269.00906	7.8
270.01385	0.6
271.02505	0.8
271.06122	0.4
274.01175	7.2
274.03986	0.4
275.01578	0.5
277.05029	0.6
279.06635	0.5
281.04675	0.9
283.02466	0.5
284.03296	3.4
285.04089	1.1
286.04367	0.4
292.03809	0.3
293.04626	0.6
297.04419	0.5
297.07654	0.7
299.05942	0.6
300.02740	0.5
305.08139	0.3
307.06104	1.6
309.04062	5.8
309.07578	0.4
310.04581	0.9
311.05759	0.7
323.05597	4.0
323.09161	0.4
324.06070	1.4
333.04169	0.5
337.03748	1.7
339.05136	0.8
341.06668	35.1
342.07028	4.3
349.07211	1.3
351.05167	3.2
352.05753	1.0
353.06842	0.4
365.06757	0.7
367.08267	2.2
375.05313	0.4
379.04660	4.3
380.04852	0.8
384.04947	0.6
393.06165	33.2
394.06625	5.3
433.09009	0.4
451.10352	11.4
452.10577	1.6
461.08829	3.8
462.09451	0.6
487.10104	0.5
489.08475	0.3
503.09805	100.0
504.10165	16.7
553.11401	0.4
577.15656	0.4
613.13599	35.9
614.14014	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	613.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.5
61.98837	1.8
67.01888	0.3
69.52354	0.4
69.52755	2.2
78.95918	0.3
81.03484	0.4
85.02969	0.7
93.03470	1.6
95.05032	1.4
104.42595	0.3
108.02170	1.6
109.02972	27.6
110.03321	0.9
119.05034	0.6
119.20855	0.2
121.02967	1.3
122.03808	0.3
123.04546	13.8
124.04881	0.7
133.03008	1.4
135.04565	2.4
137.02473	0.5
138.51280	0.3
145.03003	1.1
147.04576	0.8
149.02480	0.8
150.03230	0.7
151.04030	10.5
155.03407	0.3
159.04532	0.6
161.02469	3.8
162.02753	0.4
163.04002	0.6
165.05652	0.3
169.03003	0.5
171.04529	0.5
173.02370	0.4
173.04625	1.5
173.05971	0.3
175.04045	0.4
177.01952	7.0
185.02470	0.4
187.04057	0.9
189.01964	13.3
190.02684	2.4
191.03529	3.0
191.05640	2.1
197.02469	0.9
198.03185	0.5
199.03928	0.3
201.01932	0.8
202.02788	1.5
203.03493	4.0
209.06082	0.3
211.04115	0.4
213.01949	0.6
214.02681	1.4
215.03517	10.8
216.00713	1.5
216.04022	1.0
217.01445	13.7
217.05003	1.0
218.02032	1.5
219.03001	5.0
220.03403	0.3
225.02014	0.5
227.03537	0.3
229.01416	3.3
229.05104	1.0
230.02007	0.5
231.03011	4.0
233.04489	0.4
234.01764	2.1
237.05600	0.5
239.03453	1.9
241.01457	0.8
241.05113	0.5
242.02203	8.3
243.02963	7.2
244.03383	0.5
245.04573	0.9
246.01709	1.1
247.04358	0.3
253.04947	0.5
255.02930	2.0
257.04581	1.3
261.05637	0.3
263.07239	0.3
265.05063	0.8
266.02133	0.4
269.00906	7.5
270.01337	0.7
271.02530	0.5
274.01196	7.2
275.01563	0.4
279.03339	0.4
279.06671	0.8
281.04562	0.9
282.05365	0.3
283.02481	0.6
284.03287	3.4
285.03793	0.5
292.03812	0.5
293.04608	0.6
297.03989	1.0
297.07248	0.3
297.62100	0.3
305.04648	0.5
306.05411	0.5
307.06323	1.4
309.04059	5.5
310.04703	0.8
311.05725	0.6
323.05612	5.3
324.06387	1.5
333.04004	0.4
335.05698	0.4
337.03500	1.1
339.05093	1.1
341.06677	36.6
342.07098	3.8
348.65161	0.4
349.07080	1.6
351.05124	2.8
352.05765	1.1
353.06323	0.6
365.06735	0.7
367.08389	2.6
368.08737	0.4
375.05222	0.5
379.04651	4.4
380.04907	0.5
381.06012	0.5
384.05011	0.8
393.06174	32.6
394.06558	5.0
425.81750	0.3
451.10132	1.0
461.08820	3.7
462.09094	0.9
489.07922	0.5
503.09830	100.0
504.10159	18.3
575.17303	0.3
613.13617	43.3
614.13983	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	613.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66083	0.5
53.68179	0.5
54.54458	0.4
60.40993	0.5
65.00446	0.5
66.15757	0.4
70.90958	1.1
88.98866	0.7
93.03532	0.9
95.05107	1.4
108.02262	0.8
109.02975	25.8
110.03345	0.9
121.02969	0.6
123.04539	13.4
133.02997	1.0
135.04637	1.6
147.04654	0.6
149.02493	0.7
151.04039	10.0
151.05214	0.6
152.04489	0.5
160.01753	0.4
161.02469	3.4
175.04115	0.7
177.01958	6.7
187.03963	1.0
189.01967	13.3
189.03592	1.0
190.02762	2.3
191.03511	2.6
197.02567	0.7
198.03317	0.7
201.02028	0.6
202.02834	2.0
203.03502	3.6
213.02098	1.0
213.34517	0.5
214.02840	1.9
215.03505	14.0
216.00697	1.1
216.04079	1.3
217.01454	13.5
217.04892	0.9
218.02101	1.3
219.02988	3.2
225.02092	0.7
229.01413	2.8
229.05063	0.7
231.03017	3.6
234.01753	1.5
237.05621	0.7
239.03496	2.2
240.04106	0.5
242.02245	10.7
243.02950	7.1
244.03563	0.6
245.04555	0.8
246.01649	1.0
255.03119	2.1
257.04633	1.2
265.05029	1.2
269.00897	7.7
270.01431	0.8
274.01215	6.1
275.01517	0.7
276.20917	0.5
279.06805	0.6
281.04578	1.2
283.02518	0.6
284.03296	4.0
292.03778	0.5
293.04681	0.8
297.04160	0.8
299.05615	0.6
307.06241	1.6
309.04053	6.1
310.04572	0.8
323.05634	4.2
324.06326	1.9
337.03745	1.3
339.05276	1.2
341.06677	34.6
342.07068	2.9
349.07294	2.2
351.05023	3.3
352.05829	1.4
365.06699	0.5
367.08261	2.6
379.04636	4.2
380.05099	1.0
381.06418	1.2
393.06183	36.9
394.06592	4.0
435.14404	0.6
451.10431	1.8
461.08899	7.1
462.09189	1.2
503.09854	100.0
504.10202	15.7
613.13647	49.3
614.14001	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	613.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10091	0.3
53.92572	0.3
71.28733	0.9
71.29074	0.5
77.57178	0.4
88.98883	0.6
91.01981	0.5
93.03535	0.9
95.05132	1.2
100.18799	0.3
108.02193	2.1
109.02972	30.0
110.03386	1.2
116.92872	2.7
121.03077	1.3
122.03815	0.5
123.04546	13.4
124.04959	0.4
128.68985	0.3
133.03073	1.3
135.04651	1.6
145.03032	0.7
147.04651	1.1
149.02571	0.7
150.03328	0.6
151.04030	11.6
152.01242	1.1
152.04349	0.6
159.04654	0.7
161.02473	3.3
162.03258	0.4
169.03023	0.5
177.01962	7.3
187.04100	1.2
189.01962	15.3
190.02650	3.1
191.03635	2.8
191.05719	0.7
197.02582	1.0
198.03386	0.4
201.02036	0.6
202.02734	2.4
203.03539	3.8
211.04170	0.5
213.02039	1.0
214.02869	1.7
215.03500	11.7
216.00819	1.5
216.04024	1.2
217.01425	14.6
217.05190	1.2
218.01936	2.0
219.03055	3.8
225.02023	0.6
226.96733	0.4
227.03636	0.6
229.01479	4.2
229.05159	1.3
231.03009	4.0
234.01801	2.1
239.03619	1.6
240.04201	0.5
241.01596	0.6
241.05113	0.8
242.02200	9.0
242.04558	0.5
243.02985	8.1
245.04649	0.7
246.01950	1.0
249.05972	0.4
255.03029	1.9
256.03378	0.4
257.04712	1.5
261.05527	0.6
264.04434	0.5
265.05225	0.9
267.06619	0.4
269.00916	7.2
269.03806	0.6
270.01123	0.6
274.01166	5.5
279.06619	0.8
281.04660	1.1
283.02429	0.5
284.03268	3.6
285.03839	0.7
295.06213	0.6
297.04141	0.8
305.04660	0.5
307.06171	1.6
309.04083	6.5
310.04669	1.0
311.05615	0.5
321.07626	0.6
323.05692	5.0
323.09189	0.6
324.06342	1.4
337.03683	1.3
339.05206	1.1
341.06686	36.9
342.07037	3.6
349.07269	1.8
351.05176	2.6
352.05872	1.0
365.06567	0.7
367.08273	2.5
375.05121	0.7
379.04593	4.8
381.06088	0.5
384.05029	1.0
393.06198	33.7
394.06573	5.6
427.93518	0.4
451.10315	11.5
452.10507	1.8
461.08823	3.4
462.09164	0.8
503.09830	100.0
504.02734	0.9
504.10211	17.7
525.43341	0.4
536.51563	0.4
613.13593	35.2
614.13940	8.9
614.23218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25764	0.8
51.63242	0.9
55.86031	1.1
57.03440	1.4
59.01381	2.4
61.98845	6.8
65.28962	1.1
67.01894	1.1
71.01348	1.3
71.69906	1.8
85.02965	9.8
87.00890	2.7
88.98848	1.8
93.03474	8.8
100.22586	0.9
101.96872	1.0
109.02985	2.7
111.04537	3.4
125.03572	0.9
126.49142	1.2
127.04008	2.8
155.03508	1.5
159.04558	3.6
161.02461	5.3
170.55791	1.0
173.04610	5.5
174.03242	9.1
177.05675	1.2
179.03426	1.9
191.05652	100.0
192.06012	3.3
196.17001	1.8
197.11824	1.9
199.04005	1.1
201.02031	1.8
202.02803	5.6
203.03546	10.4
285.18539	1.6
306.07703	1.5
313.18106	14.9
314.18387	2.2
329.17709	14.1
330.17944	1.1
331.08380	4.7
331.19266	1.9
339.16040	2.5
357.17120	48.7
358.17410	5.8
376.22470	3.1
377.08801	5.4
459.06409	1.1
493.30106	1.5
531.22357	39.5
532.22888	9.6
549.23431	1.8
612.18976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30558	1.7
57.03468	2.3
57.20093	2.0
59.01357	2.1
61.98833	16.0
67.01905	5.5
69.76651	9.2
69.77059	3.1
71.01385	5.5
81.03458	2.4
85.02959	7.1
87.00890	2.0
87.65917	1.6
87.66458	1.8
88.98817	2.4
93.03464	34.6
103.04919	2.0
109.02958	3.7
111.04558	8.7
113.02454	2.0
121.45422	1.7
125.02438	1.9
127.04007	2.0
134.03705	2.1
135.04547	4.1
137.02458	8.9
142.84943	1.9
145.04964	2.0
149.06085	8.8
155.03528	7.8
158.03743	3.5
159.04539	36.6
160.04890	2.2
161.02454	3.4
163.52162	2.1
172.05328	3.8
173.04578	100.0
174.04926	4.3
175.04016	9.6
176.04745	3.8
177.05573	34.4
178.05928	2.4
179.03545	2.9
191.05634	41.0
192.05933	3.5
202.02596	2.7
203.03531	17.3
221.04550	2.3
285.18591	45.5
285.47034	2.1
286.18979	5.4
303.19696	45.0
304.19919	4.2
313.18155	17.2
314.18356	2.9
317.32681	2.2
317.36172	2.1
329.17493	3.8
331.19016	9.9
347.18658	15.9
348.19241	2.2
352.90143	2.2
357.17148	29.1
358.17523	1.9
375.18027	6.8
377.08798	3.5
451.14462	1.9
521.24158	14.9
522.24133	2.2
531.22327	3.7
549.23364	37.4
550.23572	9.7
613.19531	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	612.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.3
60.99345	1.8
61.98834	24.4
63.39865	1.7
63.51130	1.9
67.01907	2.7
71.01392	3.2
71.59010	4.1
85.02981	6.7
87.00933	2.0
88.98818	9.2
92.37309	1.8
93.03480	22.3
109.02975	2.9
111.04543	5.8
127.04066	1.8
135.04543	4.0
137.02443	9.4
151.04117	2.9
155.03557	3.4
158.03775	2.0
159.04552	31.7
161.02458	17.8
162.03183	3.2
171.13988	3.6
173.03107	3.0
173.04593	60.1
174.03288	5.5
174.04921	2.4
175.04121	9.5
176.04826	32.3
177.05582	13.1
179.03468	2.1
191.05666	34.5
197.11839	10.7
203.03491	8.7
213.05530	2.4
278.17624	2.3
285.18597	7.6
287.16483	2.3
313.18106	87.4
314.18509	7.6
315.16122	2.4
329.17636	4.5
331.19150	37.1
332.19730	3.9
339.05545	1.9
357.17093	100.0
358.17435	13.0
375.18121	16.5
376.18668	2.6
450.26175	2.8
515.33807	2.0
531.22113	11.1
532.22382	2.9
544.51166	2.1
549.23572	12.9
592.45239	2.6
593.19360	2.1
612.14856	3.1
627.29999	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	611.164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08451	0.8
54.35865	0.8
54.77135	0.8
57.03439	2.9
59.01372	4.3
60.14716	0.8
61.98834	8.5
61.99126	1.2
68.99809	1.8
69.03448	2.4
69.50526	8.4
71.01385	7.7
73.02947	2.9
81.03460	14.2
83.01394	12.8
83.05028	0.9
85.02967	4.3
87.00887	2.0
89.02440	1.3
93.03481	7.9
94.85677	0.9
95.01379	4.5
95.05034	7.6
97.02962	9.7
98.03255	0.8
99.04531	6.7
101.02466	3.2
107.01426	1.6
107.05038	2.9
108.02155	2.1
109.02961	9.1
111.00906	1.4
111.04539	6.1
113.02464	4.0
117.03485	3.2
119.03488	0.9
119.05034	1.6
121.02976	6.3
121.06587	1.0
123.00963	2.0
123.04543	27.4
124.01710	1.2
124.04861	1.2
125.02462	42.7
125.06071	1.2
126.02821	1.9
133.02959	1.5
134.03702	0.9
135.04547	11.1
136.04909	0.9
137.02469	17.4
137.06082	3.8
138.03195	2.2
139.03990	4.0
147.04544	2.7
149.02440	10.4
149.06081	1.9
149.48358	0.9
151.00421	1.3
151.04048	7.7
152.01169	1.4
153.01985	1.3
153.05589	2.6
155.03510	2.6
159.04485	1.3
161.02414	3.4
163.00397	1.3
163.04001	2.7
164.01173	2.5
165.01953	4.0
165.05588	3.9
166.02776	5.0
167.03519	56.9
167.96262	0.8
168.03888	2.1
173.04585	6.8
175.03969	3.7
177.01929	3.6
177.05545	0.9
179.03516	19.3
179.06976	0.9
180.03876	0.9
181.05052	3.0
191.03561	4.3
191.05626	17.6
191.07314	1.0
192.00708	2.1
192.05911	1.3
192.62413	0.9
193.01450	1.3
193.05090	3.0
193.07768	1.3
197.04561	17.8
197.06082	0.9
198.04811	1.1
199.04016	3.4
203.03508	1.5
205.04964	1.0
209.04561	100.0
210.04926	5.4
217.05035	2.4
219.02921	1.1
221.04588	4.8
233.04485	1.3
239.05606	77.1
240.06035	4.6
241.05069	7.1
243.02895	2.0
243.06612	1.8
251.05524	6.5
269.06638	31.2
270.06940	2.6
273.03226	1.8
277.03571	1.6
281.06686	3.5
285.04059	23.8
286.04330	1.6
300.02557	0.9
301.03253	1.3
303.05045	1.3
307.04395	2.1
311.07993	7.1
329.08807	18.5
330.09335	1.1
335.08017	1.2
341.08911	5.9
353.08969	1.9
359.09918	5.5
371.07709	54.8
372.07980	6.6
383.08035	2.5
401.03555	1.7
401.08777	36.4
402.09100	6.0
411.11478	0.9
413.09100	1.1
431.09705	9.0
432.10373	1.1
449.13040	8.2
473.10858	5.7
475.14651	9.2
485.13196	1.5
491.11942	26.0
492.12143	5.5
503.12189	5.4
504.12259	1.5
521.12994	4.7
522.13544	1.6
593.15503	1.7
611.16187	29.0
612.16846	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	611.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.3
59.01385	6.9
61.98843	3.8
69.03470	0.7
69.10227	0.5
71.01393	3.9
72.99311	0.6
73.02946	3.3
74.52724	0.5
81.03468	2.6
81.68102	0.5
83.01405	1.7
85.02943	2.7
87.00885	2.3
87.04518	0.7
89.02483	2.4
93.03478	2.2
95.05037	1.2
97.02961	1.2
98.62449	0.6
99.04533	1.7
101.02457	4.4
103.04037	1.0
105.03462	1.3
108.02247	0.5
109.02974	4.5
111.00919	0.5
113.02454	1.6
115.03998	0.7
119.03525	1.1
119.05049	1.0
120.02203	0.7
121.02965	3.4
123.04517	1.5
125.02469	20.2
131.03525	1.6
133.02991	1.6
135.04526	1.9
137.02469	11.5
138.03241	4.0
139.04068	0.8
143.03529	2.6
143.05087	1.1
147.04567	0.9
148.01591	0.7
149.02470	33.1
150.02818	1.4
151.04031	0.7
152.03442	0.6
155.03630	0.8
155.05060	1.1
161.02473	3.8
163.00414	2.6
163.03999	1.0
163.06139	3.6
164.01169	7.5
165.01985	6.3
166.02753	11.4
167.03513	10.5
169.06520	0.7
171.04524	2.6
173.04584	3.8
174.03165	2.0
174.04794	0.7
175.04037	12.7
176.01140	3.9
176.04428	0.9
177.01904	1.9
179.03479	1.2
179.05730	0.8
187.03976	0.9
191.03596	1.0
191.05615	3.8
192.00656	8.0
193.01382	3.4
197.06081	2.1
198.03162	3.0
199.04022	16.9
200.04353	0.7
201.01950	4.3
205.07198	2.2
211.03983	0.8
213.05566	3.8
215.03546	1.5
217.05075	15.0
218.05316	1.0
219.02954	1.1
223.04208	0.6
226.02733	1.5
229.05014	0.5
240.04153	0.6
241.05069	31.9
242.02249	1.7
242.05440	3.0
243.02963	5.3
257.04623	1.8
261.04068	0.6
265.09317	1.1
267.02951	0.9
269.04315	0.6
285.04050	100.0
286.04416	8.8
303.05038	1.4
401.26770	0.6
449.10980	0.8
475.14600	30.4
476.15128	4.2
485.13132	7.8
486.13193	1.1
501.12564	8.5
502.12891	1.1
563.52094	0.7
567.17145	0.7
611.16327	30.7
612.16754	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03444	2.6
59.01089	1.8
59.01383	32.9
61.98829	5.3
68.94784	1.3
69.03484	1.2
71.01389	34.0
71.52873	2.7
72.99316	1.5
73.02962	9.9
75.00862	1.2
83.01387	6.4
85.02962	17.7
89.02460	15.3
92.29588	1.2
93.03481	2.9
95.01400	3.2
99.00899	4.0
101.02455	32.3
109.02953	1.3
113.02473	13.8
119.03506	5.5
123.08167	3.4
125.02455	5.4
125.92889	1.2
135.04579	2.3
137.09737	1.5
143.03619	1.8
151.00398	2.9
161.02437	2.7
161.04572	11.1
163.11324	6.4
173.04549	3.1
179.05634	7.6
189.12859	7.5
191.05568	8.1
207.13872	10.6
222.07867	1.8
235.04297	1.3
243.02773	1.3
254.78008	1.2
255.02928	4.4
262.54700	1.2
271.02490	9.0
272.02618	1.6
283.11301	1.4
284.03482	2.2
285.03976	5.7
299.01852	4.0
300.02689	9.0
301.03354	6.9
303.05203	1.3
330.76657	1.4
387.20172	8.3
431.19571	1.5
445.37756	1.3
447.09531	8.9
463.08948	1.3
471.43106	1.3
497.00812	1.4
525.64282	1.3
531.84320	1.4
538.79932	1.4
549.25494	100.0
550.25922	15.2
609.14429	15.2
610.14740	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	609.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
57.03463	6.0
58.00609	1.7
59.01382	70.4
60.29504	1.2
60.99326	1.2
61.98833	17.9
63.67070	1.0
69.03464	1.8
69.69173	7.6
69.69594	2.4
69.93947	1.3
71.01394	31.3
72.99319	1.3
73.02956	6.9
75.00886	1.6
76.75488	1.2
78.95921	2.5
83.01400	6.0
85.02967	17.0
87.00864	6.4
88.98824	2.0
89.02442	9.7
93.03472	7.2
95.01396	3.1
97.02965	3.9
99.00893	3.8
101.02456	17.4
103.43501	1.3
107.01395	1.5
109.02977	4.7
111.00869	1.7
111.04546	1.5
113.02470	16.2
116.92902	5.2
119.03569	3.7
119.05025	1.5
124.01658	1.6
125.02488	5.4
129.02031	1.3
131.14403	1.2
135.04547	3.1
137.02463	5.8
143.03543	4.7
145.03011	1.8
148.04138	1.3
151.00385	3.8
153.09238	2.3
155.03506	1.5
161.02505	2.2
161.04640	2.0
163.03979	2.0
173.04559	6.8
174.54736	1.2
176.63441	1.4
177.02011	1.7
178.99835	1.9
179.03549	3.9
187.13423	1.5
189.02010	2.5
191.03363	1.1
191.04062	1.5
191.05640	14.2
192.05879	1.6
201.15016	1.9
209.11864	3.0
215.51828	1.1
217.01373	2.7
219.02969	1.6
220.67340	1.1
232.61128	1.2
239.03564	1.3
243.03038	3.0
255.02954	3.9
264.03055	2.9
271.02551	8.0
282.05655	1.4
283.13458	1.7
292.02631	1.4
293.04352	1.2
297.07581	1.4
299.02100	2.1
300.02774	19.9
301.03491	11.3
307.04889	3.0
322.07312	2.1
341.06775	7.1
359.28049	1.5
361.29712	11.7
397.13272	1.7
447.09454	6.6
447.25851	2.2
461.85254	1.3
465.27170	2.5
469.25055	1.7
469.31543	1.4
505.33844	100.0
506.34296	15.8
507.28113	2.3
523.34875	33.7
524.35699	5.8
547.16187	4.0
549.32837	1.6
565.35968	13.5
566.36371	2.3
585.23743	2.0
609.14209	15.2
609.31079	17.9
610.15289	3.8
610.31427	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
55.18001	0.7
55.34857	0.8
57.03449	1.8
58.00589	1.4
59.01089	1.3
59.01381	22.5
61.98834	8.7
65.00316	1.2
70.45789	1.2
70.46191	1.8
71.01388	30.3
72.99345	1.0
73.02957	6.3
83.01387	3.5
83.05045	0.9
85.02953	11.6
87.00892	2.3
89.02453	14.4
93.03468	2.2
93.10293	0.8
95.01402	2.6
97.02937	1.8
99.00913	2.3
101.02464	24.0
102.02821	1.1
107.01419	2.5
109.02956	1.9
111.04549	1.1
113.02462	11.8
119.03531	7.4
121.03004	1.9
123.08176	6.3
125.02472	5.9
131.03532	2.0
133.03030	1.3
135.04576	1.0
137.02490	1.7
137.09741	2.4
143.03508	2.6
148.01736	1.1
149.02437	1.1
151.00386	10.5
159.03027	1.4
161.02470	1.1
161.04601	13.0
163.00368	1.9
163.11328	5.7
167.03529	0.8
173.04579	2.5
175.00356	1.6
175.03938	1.2
178.99928	2.2
179.05595	8.9
187.04092	0.9
189.01912	0.8
189.12866	9.1
191.05634	5.4
199.04016	2.4
201.01906	1.0
207.13934	9.5
215.03511	1.6
221.06659	3.4
225.14902	1.1
226.02690	1.1
227.03551	3.6
243.03038	4.0
255.03015	3.2
256.03601	1.0
263.07642	1.1
271.02469	48.2
272.02835	3.4
285.03970	2.5
297.04120	1.3
299.01987	87.1
300.02573	19.6
300.52542	0.9
301.03540	68.9
302.03827	6.1
313.03561	1.8
323.09866	4.0
327.05066	3.5
343.04443	1.8
369.19159	1.2
387.20303	7.6
402.31628	0.9
447.09348	15.9
448.09509	2.5
462.08029	22.4
463.08759	26.1
464.09210	3.3
489.10342	1.2
507.63739	0.9
549.25464	70.2
550.25775	13.8
609.14764	100.0
610.15112	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	609.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.3
61.98846	0.5
65.00356	1.2
66.19264	0.4
67.01898	0.4
71.01393	3.2
71.70885	0.3
73.02955	1.2
83.01402	1.3
85.02952	1.7
87.00887	0.6
89.02466	2.4
91.01992	0.3
93.03455	2.1
93.88074	0.4
97.02964	0.7
100.12450	0.5
101.02433	2.4
107.01408	2.7
108.02174	0.5
109.02995	2.8
111.00927	0.4
111.04533	1.0
113.02486	1.3
119.03525	1.0
119.95624	0.4
121.02961	1.1
123.00890	0.4
123.04541	1.0
125.02455	2.9
127.04019	0.5
133.02963	3.3
134.03789	0.6
135.04547	1.3
137.02466	1.2
143.05093	0.4
147.04608	0.4
149.02473	0.9
151.00398	8.2
151.04005	0.8
152.01016	0.4
155.03578	0.5
155.04855	0.5
159.04517	0.8
161.02457	1.2
161.04623	1.9
163.00375	1.5
163.04015	0.4
164.01190	0.7
165.01883	0.9
167.03430	0.5
169.01486	0.6
171.04584	0.8
173.04604	3.5
173.06020	0.7
175.00414	1.2
175.04010	2.1
177.01988	1.2
177.05524	0.5
178.99879	1.7
179.03529	1.5
179.05612	1.6
183.04596	0.5
185.02460	0.4
185.06255	0.4
187.04045	0.8
189.01990	0.7
189.05534	0.5
191.03613	0.8
191.05644	8.7
192.05984	0.4
199.03989	3.5
201.01941	1.1
201.05589	1.0
203.03575	0.8
205.01407	0.8
211.03876	0.6
211.09740	0.4
213.01953	0.5
215.03482	1.3
226.02710	1.1
227.03539	3.8
228.03986	0.6
229.01566	0.6
229.04832	0.5
241.04964	0.4
242.02121	0.4
243.02954	4.1
248.02251	0.4
255.02994	4.8
255.05952	0.5
267.06766	0.6
269.08493	0.5
271.02475	42.4
272.02820	4.3
273.03906	0.5
281.04602	0.5
283.02533	3.7
284.03314	2.2
285.04013	3.0
286.04190	0.5
289.07281	0.9
297.04102	1.6
298.04831	2.6
299.01993	71.5
300.02615	16.1
301.03546	55.5
302.03943	6.1
304.92285	0.5
311.05637	1.6
312.06381	2.6
313.03531	0.9
313.07101	2.4
314.07275	0.5
327.05096	1.6
339.05157	4.1
341.06787	2.0
343.04678	1.1
344.05341	0.5
353.06635	0.9
365.33817	0.4
369.06171	11.9
370.06442	2.3
373.15021	0.5
381.06076	1.5
399.07248	8.5
400.07449	1.3
407.07477	0.5
411.07275	1.2
429.08252	1.9
441.08408	0.8
446.08698	0.7
447.09335	13.4
448.09637	1.3
462.08035	17.1
463.08780	21.0
464.09198	2.2
489.03491	0.6
489.10413	9.1
490.10873	1.5
513.09998	0.5
519.11493	3.1
520.11578	0.5
528.10767	0.5
549.25250	2.2
591.13770	0.9
609.14771	100.0
610.15137	21.2
610.25067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2571
Annotation	Taxumairol F
Peak:m/z	Relative Intensity
55.01896	0.4
57.03442	1.6
58.00595	0.8
59.01381	24.1
59.56831	0.4
61.98831	4.6
68.99829	0.5
69.03465	0.6
70.87555	1.2
71.01390	12.2
72.99329	1.5
73.02959	3.2
75.00872	1.0
83.01420	2.1
85.02958	5.9
85.03443	0.5
87.00869	2.6
88.98846	0.5
89.02451	2.5
93.03468	1.2
95.01432	1.2
97.02984	0.8
99.00884	1.9
99.04570	0.5
101.02459	6.3
101.43475	0.4
107.01385	0.6
108.02186	0.5
109.02938	2.1
111.00924	0.5
112.01688	0.5
113.02467	4.7
119.03537	1.0
121.02971	0.5
123.00882	1.7
123.04543	0.6
124.01670	0.8
125.02478	1.4
135.04543	1.0
137.02431	0.9
138.03246	4.3
143.03517	0.5
151.00388	1.2
151.04019	1.0
153.05594	4.7
160.01700	0.5
161.02496	1.0
161.04593	0.9
163.00423	0.6
163.04041	0.5
164.01247	0.5
164.04822	0.9
165.05675	0.5
167.03326	0.5
173.04610	1.6
175.04034	0.4
177.01923	1.3
178.06406	0.8
179.03566	0.5
179.07243	0.6
189.01997	1.0
190.02730	0.6
191.05659	3.2
193.08781	0.9
197.79556	0.4
202.02557	0.5
208.93893	0.4
211.13385	2.4
213.01964	1.5
214.02745	0.7
215.03647	0.5
217.01363	0.8
217.05260	0.4
227.03488	0.4
230.02249	1.8
231.02928	0.6
241.01605	1.9
242.02184	1.3
243.02948	1.8
245.04552	2.4
255.02982	5.1
256.03644	1.3
257.04550	1.7
258.01685	10.6
259.02408	6.7
268.03720	0.5
269.04694	0.4
271.02490	5.7
271.05359	0.8
272.03003	0.5
272.09402	1.2
273.04068	15.3
274.04758	4.6
284.92590	0.4
286.04816	3.3
287.05563	0.6
288.06421	26.8
289.07162	24.1
290.07532	2.3
294.05341	0.7
299.02054	0.6
300.02768	9.8
301.03479	5.3
301.07172	1.4
302.07745	0.7
303.08762	57.2
304.09259	7.8
316.09561	8.2
317.10236	3.9
318.11063	4.1
331.11880	11.6
332.12155	1.7
341.06729	2.4
357.13229	0.7
373.16483	0.5
375.14536	4.3
376.15060	1.0
390.16830	6.7
391.17627	1.1
397.13428	1.0
403.14166	0.9
405.19214	9.4
406.19342	1.3
415.14706	0.6
419.11307	0.7
419.27621	0.5
463.08722	2.2
465.26779	1.8
489.21658	0.9
499.06451	0.6
505.33957	0.9
507.28082	1.2
512.09302	0.5
519.19183	1.3
534.21136	2.0
537.19794	0.6
547.15741	0.6
549.23389	100.0
550.23700	17.8
552.21954	0.6
567.24548	53.5
568.24811	9.5
585.23138	0.4
609.14496	9.0
609.25745	15.9
610.14899	1.5
610.25958	2.5
613.96222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1479
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
51.25060	0.4
59.01381	0.9
62.55209	0.5
63.02432	0.6
65.00330	1.1
69.46098	0.4
69.56451	0.4
69.56773	3.4
71.01389	1.2
73.02960	0.4
83.01384	1.0
89.02492	0.7
95.01384	0.5
101.02443	1.3
107.01414	2.3
109.02962	1.4
109.21534	0.4
114.79878	0.4
118.86265	0.4
119.01431	0.6
121.02971	1.6
125.02426	0.7
133.02901	0.6
137.02431	0.6
149.02504	0.7
151.00391	9.5
161.02509	0.5
161.04611	0.6
163.00404	1.0
169.01500	0.5
171.04523	1.0
175.00371	1.7
175.04056	0.9
178.99875	1.5
180.00127	0.5
187.04079	0.8
193.01338	0.7
199.04024	3.0
200.04323	0.5
201.01886	0.8
201.05490	0.5
211.04024	1.0
213.01833	0.5
215.03503	1.5
226.02599	0.5
227.03477	3.3
229.05127	0.7
236.36424	0.4
243.02971	4.3
244.03325	0.6
255.02904	3.0
256.03329	0.6
271.02475	52.8
272.02817	5.2
285.04218	0.7
297.04050	0.5
299.01987	86.9
300.02576	16.7
301.03543	66.7
301.07181	0.9
302.03912	6.1
313.03522	1.2
343.04639	1.8
447.09381	11.8
448.09686	1.2
462.08057	24.9
463.08762	27.1
464.09113	3.2
549.25427	2.9
609.14777	100.0
610.15076	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	609.1477
Annotation	Quercetin 3-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
54.99043	0.4
55.42186	0.4
56.55427	0.3
57.35945	0.3
59.01380	0.8
63.02404	1.3
65.00325	2.5
69.62277	2.0
69.62688	0.9
73.83116	0.4
75.05070	0.4
81.85267	0.3
83.01369	2.1
91.01909	0.8
93.03474	1.4
93.45522	0.3
96.95997	1.2
107.01409	6.5
108.02188	1.5
108.80968	0.3
109.02962	4.1
119.01437	0.7
121.02969	5.3
125.02457	0.7
135.00914	0.7
137.02469	1.4
139.04048	0.7
147.04483	0.5
148.01701	1.1
149.02448	0.7
151.00385	25.5
152.00775	1.0
157.06664	0.4
159.04504	0.7
161.02477	0.9
163.00380	5.7
164.01102	1.1
167.03496	0.5
169.01421	1.5
171.04562	0.7
173.04610	0.6
173.06013	0.5
175.03983	1.0
178.99878	14.6
180.00217	0.8
183.04439	0.8
187.03999	1.3
190.99913	0.5
191.05569	0.6
193.01398	0.5
198.03201	0.5
199.03969	0.9
201.05615	0.9
211.03932	2.5
212.04605	0.8
213.01823	0.5
215.07051	0.5
219.02974	1.2
226.02722	1.0
227.03545	3.2
228.04150	0.4
229.04909	1.8
239.03459	0.7
243.02977	5.4
245.04482	3.4
254.02330	1.0
255.02968	17.3
256.03546	1.9
257.04468	0.6
271.02454	30.6
272.02853	4.2
273.04031	3.0
283.02505	3.4
284.02887	0.5
299.02084	1.1
300.02762	48.3
301.03510	73.7
302.03870	6.6
314.57544	0.4
338.26205	0.4
435.10953	1.2
447.09244	0.7
609.14758	100.0
610.15063	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	609.1477
Annotation	Rutine
Peak:m/z	Relative Intensity
61.84363	0.3
62.00873	0.4
63.02412	0.8
65.00334	1.1
71.52017	0.7
75.97486	0.4
83.01387	0.7
107.01402	2.8
108.02191	1.1
108.90872	0.3
109.02952	1.3
119.01421	0.4
121.02974	1.7
124.01647	0.3
135.00916	0.8
138.79529	0.4
148.01691	1.4
148.65402	0.4
149.91173	0.4
151.00386	9.7
152.00842	0.4
163.00368	2.1
163.04012	0.5
164.01212	0.7
167.05006	0.4
169.01468	0.7
175.03807	0.3
176.46733	0.3
178.99886	4.7
187.04167	0.4
199.03967	0.6
211.04008	1.2
214.92924	0.4
216.04253	0.5
226.02769	1.6
227.03462	2.9
228.03986	0.4
239.03410	0.5
243.02986	10.3
243.05507	0.6
244.03397	0.5
245.04507	1.0
254.02252	1.8
255.02983	24.1
256.03421	1.6
260.83542	0.4
271.02466	49.0
272.02893	5.1
273.04108	1.6
283.02356	1.0
286.23975	0.4
299.02109	1.0
300.02759	76.8
301.03482	31.5
302.03906	2.5
341.29300	0.3
343.04599	0.4
447.09335	0.4
609.14752	100.0
610.15082	17.8
610.25244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1271
Annotation	quercetin 3-O-(4"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
57.03450	3.7
59.01384	16.3
61.98834	5.0
63.02399	0.7
65.00330	2.0
69.80531	2.9
69.80959	2.2
71.01388	6.8
73.02970	1.5
81.40935	0.6
83.01410	2.5
85.02972	3.0
87.00892	0.7
89.02467	2.0
93.03487	2.2
93.14655	0.6
98.20701	1.0
99.00953	0.9
99.04572	1.0
101.02464	4.8
107.01420	3.8
108.02190	1.4
109.02973	3.3
109.36508	0.6
111.00877	0.8
113.02464	2.6
117.03523	0.9
119.01392	0.7
119.05090	0.6
121.03017	1.9
125.02457	1.2
133.03027	1.0
135.00925	0.9
135.04543	2.5
136.04912	0.7
137.02475	2.4
139.00497	0.6
145.02980	2.9
148.01735	1.6
151.00389	10.4
152.01193	0.9
161.02483	1.0
161.04535	1.2
163.00410	2.9
164.01202	1.1
166.25247	0.7
173.04558	2.3
175.04021	1.4
176.49124	0.6
178.99887	5.2
183.04494	0.8
190.99893	1.2
191.05637	4.8
192.05981	0.9
199.04056	0.9
211.13414	1.5
226.02650	1.3
227.03564	3.3
228.03854	1.0
229.01395	0.8
229.05017	0.8
242.01967	1.0
243.02989	10.7
244.03560	1.4
245.04459	0.8
254.02257	2.8
255.02988	28.9
256.03287	2.0
269.00876	0.8
271.02475	59.3
272.02960	7.2
273.04022	1.6
283.02408	1.9
285.03952	1.5
299.01974	2.4
300.02765	100.0
301.03467	43.4
302.03897	2.9
303.21783	1.1
327.08731	1.5
347.05499	1.5
371.09564	0.7
373.03549	1.5
375.04614	1.1
387.14325	1.4
402.04138	3.1
403.04602	5.2
404.05096	0.8
447.25827	2.5
463.08838	54.3
464.09470	5.4
464.25641	2.0
465.27042	13.2
466.27405	0.9
505.33878	6.3
506.27261	1.5
507.28140	7.1
523.34741	1.5
546.30347	0.8
547.30774	2.6
549.10492	5.6
549.25201	2.6
549.32928	1.4
550.10638	1.3
565.36182	1.3
608.29651	2.0
609.12769	67.3
609.30627	7.3
610.13007	16.4
610.29388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03544	1.5
57.11139	0.2
59.01158	0.6
59.01476	1.5
61.98644	0.3
61.98935	0.7
63.02158	0.4
63.02509	1.9
65.00053	0.7
65.00438	3.0
69.47698	0.6
69.48114	1.8
71.01100	0.5
71.01510	1.1
73.03037	0.4
83.01531	2.6
85.03040	0.4
87.01011	0.3
89.02575	0.4
93.03078	0.2
93.03584	0.6
95.00989	0.3
95.01534	0.9
98.20633	0.5
99.04613	0.4
100.01799	0.4
101.02634	0.8
107.00777	0.5
107.01556	6.0
108.02311	0.4
109.02315	0.5
109.03122	7.7
110.03449	0.3
111.01025	0.3
111.04659	0.3
113.02625	0.7
116.93010	0.4
121.03137	1.4
123.01041	0.5
124.01843	2.1
125.02473	2.6
125.04471	0.3
132.67131	0.2
133.03137	0.4
135.04718	0.9
137.02599	0.6
145.03061	0.5
147.04695	0.8
149.02576	0.5
150.99255	1.1
151.00397	25.6
151.04190	0.6
152.01192	6.3
153.01996	2.3
155.03798	0.3
161.02463	1.8
161.04671	0.5
162.23228	0.2
163.00591	0.8
163.04117	0.5
165.02023	0.4
169.01462	2.9
173.02591	0.6
173.04700	0.5
174.03453	0.3
175.04051	2.5
177.02161	0.7
178.98427	0.7
178.99884	19.4
179.03616	0.5
179.05879	0.4
180.00378	1.0
181.01628	0.7
183.04701	0.6
187.04164	0.3
191.05821	1.0
192.00858	1.1
193.01495	0.5
199.04259	0.7
201.01920	1.2
202.02731	0.4
207.06784	0.5
211.04016	1.4
212.05008	0.4
213.01993	0.4
213.05763	0.8
215.03711	0.7
219.81155	0.2
223.04256	0.4
224.04913	0.3
225.05774	0.5
227.03416	1.2
229.05243	0.3
235.04172	0.3
237.05809	0.8
238.48672	0.2
239.03482	3.3
240.04253	1.7
241.05043	2.9
242.05693	0.4
243.03181	1.0
251.03465	0.2
252.04373	0.3
253.05019	1.6
254.05716	0.4
255.02966	2.9
256.03745	0.6
257.04712	0.4
263.03494	0.4
265.05176	1.1
266.02325	0.3
267.02988	2.8
268.03891	1.0
269.04611	1.3
271.02490	3.5
272.03122	0.5
273.04099	0.5
279.03098	0.6
280.03943	0.5
281.04553	8.9
282.05222	0.9
283.02658	2.7
283.06186	0.9
284.03342	0.9
284.06491	0.3
285.03903	1.3
291.03088	0.3
293.04709	1.0
295.02609	1.2
297.04108	1.9
299.02081	0.5
300.02811	6.2
301.03568	18.2
301.07135	1.5
302.03967	1.2
309.04004	2.0
310.04913	0.7
311.02029	14.9
311.05554	1.4
312.02481	1.3
319.02740	0.5
325.03699	1.1
326.04272	0.4
327.04999	1.5
337.03745	0.6
349.07446	0.3
353.03030	8.4
354.03656	3.1
400.10391	0.8
403.14139	0.9
421.05792	0.7
447.08957	0.7
447.26016	0.4
463.06708	100.0
464.07056	14.6
464.13779	0.6
465.27121	1.3
519.46387	0.3
549.25018	0.5
565.17499	0.4
591.16827	0.4
609.13806	9.8
610.13593	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	608.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
58.02980	9.8
58.57045	0.4
59.01385	3.3
61.98837	1.5
69.03456	0.4
70.02985	5.3
71.01385	2.3
71.70055	0.7
72.00912	2.9
73.02973	0.6
81.25193	0.4
83.01400	0.8
85.02969	1.6
87.00870	0.8
89.02448	2.5
91.05545	2.9
93.03459	1.9
96.96074	0.4
97.02943	0.5
101.02463	2.6
105.56247	0.4
107.01368	0.5
109.02981	1.5
111.04541	0.6
113.02480	1.1
115.00420	0.4
118.98099	0.4
119.03506	0.8
119.05009	0.6
121.02981	0.6
123.04542	1.1
125.02468	3.1
133.02974	0.6
135.04558	1.6
137.02448	1.5
143.03554	0.4
145.02942	0.5
146.03773	0.5
147.04543	21.4
148.04832	1.0
149.02487	0.6
151.00378	1.4
151.04016	1.0
155.03494	0.6
159.04521	0.8
161.02510	1.5
161.04617	0.7
161.06067	0.4
162.09251	0.5
164.07188	56.9
165.07542	3.6
173.04587	3.0
175.04013	0.7
177.01913	0.5
179.03482	1.2
179.05687	0.8
191.05627	8.1
191.07309	0.5
199.04041	0.8
206.08235	100.0
207.08583	6.5
216.27068	0.4
238.05072	0.7
243.02939	1.2
245.04469	0.5
250.07155	1.0
251.07159	0.4
255.03004	1.3
266.04568	0.9
269.08167	0.9
271.02597	2.2
283.02536	0.7
284.03116	1.6
284.05826	2.6
285.04019	3.3
289.07089	2.0
299.01978	2.1
300.02759	2.9
301.03580	1.3
326.23853	0.4
353.02994	0.4
382.08295	0.4
387.20169	4.0
438.26016	0.4
447.09180	4.8
454.08133	0.9
462.06863	0.5
463.06696	0.4
548.23932	0.5
549.25354	4.6
591.12933	0.7
608.15436	1.4
609.14600	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1462
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
57.03449	0.3
59.01381	4.4
61.98834	7.1
63.02401	0.5
65.00349	0.4
67.01879	0.6
67.76024	0.2
71.27608	0.2
78.95927	0.4
81.03456	0.3
83.01418	0.7
85.02950	0.9
87.00867	0.5
89.02478	0.4
93.03465	2.2
99.04574	0.3
101.02439	0.5
107.01410	0.8
109.02979	1.2
111.04552	0.7
113.02455	0.4
117.03483	8.2
118.03840	0.4
119.05047	2.0
122.24358	0.2
124.01578	0.3
125.02441	0.9
132.02141	0.2
133.02988	1.0
134.03725	0.7
135.04555	0.6
137.02466	0.8
145.02974	18.1
146.03317	1.1
147.04576	0.3
151.00406	1.3
152.99625	0.2
155.03418	0.3
161.02457	0.3
163.04005	1.1
173.04546	4.3
175.04001	0.4
177.01950	0.4
179.03488	0.3
184.76515	0.2
187.04051	0.4
188.04811	0.3
191.05627	4.4
200.04683	0.2
209.11745	0.3
211.04076	0.6
227.03465	1.0
243.03123	0.3
255.02989	3.6
256.03745	4.0
257.04245	0.3
267.02814	0.2
269.04541	0.6
270.04980	0.3
270.07654	1.8
283.02524	1.6
283.05365	0.3
284.03253	68.4
285.03729	9.9
297.04065	0.7
298.04834	0.5
299.05609	100.0
300.05930	8.9
307.08234	3.2
313.03549	0.6
318.60437	0.2
355.08252	0.3
385.13144	0.6
408.07449	0.3
461.11035	0.4
463.25143	0.3
503.32538	0.8
521.32501	0.3
545.16510	1.1
607.14575	31.5
608.14880	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	607.1306
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
54.37641	0.3
57.03440	1.9
59.01365	0.7
61.98824	0.7
63.02409	0.4
65.00321	1.0
69.59238	1.2
69.59662	1.7
71.01385	0.8
77.86035	0.3
83.01391	1.2
85.02983	0.6
89.02436	0.3
93.03451	0.8
98.19903	0.7
99.04528	0.5
101.02458	0.4
107.01390	2.3
108.02200	1.2
109.02972	1.8
121.02958	2.1
125.02443	1.0
129.01978	0.5
135.00870	0.7
139.04025	0.5
140.42690	0.3
148.01707	1.4
149.02412	0.3
151.00394	12.4
163.00383	3.0
164.01169	0.6
169.01462	0.9
177.01866	0.4
178.99889	6.5
183.04546	0.5
187.04034	0.5
190.99895	0.6
191.05630	1.1
199.03969	0.8
211.04015	1.4
215.03464	0.6
216.04333	0.7
226.02652	1.3
227.03453	3.1
228.03960	0.6
229.05075	1.0
241.01462	0.5
243.02977	9.9
244.03540	0.9
245.04430	1.7
254.02289	1.9
255.02979	25.5
256.03345	2.9
257.04596	0.4
271.02460	55.1
272.02911	5.4
273.04034	1.2
283.02515	1.7
299.02075	1.8
300.02756	100.0
301.03467	46.2
302.03879	3.6
343.04556	0.4
353.06732	0.5
378.81085	0.3
445.07300	0.4
461.05072	1.0
463.08795	52.4
464.09140	6.8
505.09854	42.7
506.10092	5.6
545.13000	11.8
545.19397	0.2
546.13428	2.2
547.10974	0.5
547.23828	0.8
607.13037	25.2
608.13373	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	603.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96859	0.4
59.50247	0.4
60.99310	16.2
61.98828	1.6
71.25225	0.6
71.25562	0.6
78.95924	0.6
80.56214	0.4
87.00883	1.0
88.00403	3.4
88.98820	100.0
89.02457	24.5
89.99156	0.7
90.02799	0.6
93.03461	0.6
96.96052	0.5
144.25116	0.4
147.77057	0.4
173.04553	0.7
191.05501	0.5
192.06128	0.5
311.53503	0.4
518.06934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20564	0.6
57.03440	2.8
59.01379	5.3
61.98834	25.2
63.02405	4.6
64.33156	0.6
65.00326	4.1
71.01369	2.4
71.38303	0.5
71.71881	0.7
71.72239	0.8
78.95909	1.2
83.01387	5.9
85.02947	2.8
85.77872	0.6
87.00851	0.9
88.98815	1.8
89.31438	0.7
93.03486	3.8
95.01399	0.7
101.02422	1.5
105.16239	0.6
107.01405	11.3
108.80200	0.6
109.02950	1.4
111.04513	1.1
113.02490	1.3
116.92850	0.7
124.01701	4.6
124.95484	0.6
125.02467	9.7
127.03989	0.8
133.02977	1.1
135.04547	10.3
137.02452	1.7
145.02855	1.1
151.00397	51.8
152.01186	10.3
153.01964	4.6
155.03441	0.7
159.10303	4.7
161.02444	1.4
165.01884	1.3
167.03534	0.8
169.01451	8.4
173.04565	3.9
173.06093	2.3
177.01991	2.2
178.99878	68.9
179.03426	7.7
180.00188	3.7
181.01567	0.9
187.04095	1.0
187.07652	1.6
188.04791	1.0
189.05527	1.0
190.02672	0.9
191.05624	18.4
191.07344	0.9
199.07736	1.6
200.04781	2.1
201.05426	0.7
202.06358	0.7
211.34239	0.7
212.04749	0.6
215.07132	15.7
216.07663	1.3
217.08635	3.0
225.05681	1.1
227.03558	5.1
227.07115	2.6
228.04202	1.0
238.08716	1.4
241.01440	1.0
241.04982	1.2
242.05821	0.8
243.02925	0.8
243.06599	2.3
253.05127	3.2
254.05771	1.1
255.02974	11.5
256.03799	0.9
269.04315	0.7
269.08228	0.8
271.02493	2.0
271.06094	5.9
283.02487	11.9
284.03351	5.3
293.08148	0.8
298.04865	7.8
299.02032	1.5
299.05582	17.2
299.09064	0.8
300.02737	4.2
301.03290	0.8
310.01120	0.6
311.01941	2.3
311.09171	1.1
323.09198	1.1
333.07614	1.5
351.08862	1.3
353.09088	11.7
361.07016	0.8
379.08240	3.9
397.09265	11.8
398.09467	1.2
398.56415	0.8
414.09650	0.8
417.12009	1.1
447.22357	1.4
460.04980	0.9
461.05234	1.1
463.25510	2.2
505.26617	1.0
543.15045	100.0
544.15375	16.6
606.19025	1.0
607.17371	15.3
607.30505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.41946	2.4
73.17622	0.2
73.69078	0.2
75.40208	0.2
98.19887	0.4
116.87234	0.2
119.75988	0.2
124.16152	0.2
140.03545	0.2
209.42790	0.2
274.76697	0.3
466.16418	0.3
468.33936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
56.17551	0.6
57.03437	1.0
58.00572	0.9
58.02958	0.9
59.01383	62.4
60.01714	1.2
61.98833	27.2
63.20552	0.6
65.03963	1.3
66.95647	0.6
67.01901	1.2
67.36835	0.6
69.03464	2.1
70.02988	0.6
70.03566	1.2
70.03967	2.6
71.01390	28.0
72.99307	0.7
73.02959	5.8
79.58032	0.6
81.03475	4.5
83.01400	28.2
83.05035	20.4
85.02961	4.8
87.00869	1.2
89.02458	6.0
93.03472	41.4
94.03822	1.3
95.01418	1.2
97.02972	1.3
98.20586	0.6
99.00889	3.4
99.04531	2.2
101.02460	6.5
101.86317	0.6
109.02979	9.3
111.00911	19.3
111.04539	72.8
112.04849	3.3
113.02454	5.7
119.03509	3.0
123.08174	4.0
125.02466	2.1
127.04044	1.6
129.01994	0.9
133.02972	3.0
134.03389	1.1
135.04588	3.2
137.02469	25.0
137.09741	1.3
138.02826	1.0
139.22772	0.6
143.03532	2.7
147.04559	1.4
151.04126	0.9
151.07642	0.7
152.01199	0.7
153.01930	0.8
153.09215	0.8
155.03532	100.0
156.03857	3.8
159.03058	1.0
161.02452	0.6
161.04588	8.7
163.11293	3.4
164.07211	4.4
173.04581	35.2
174.04922	1.4
177.02002	0.7
178.50284	0.6
179.03529	3.5
179.05693	3.7
189.12871	6.4
191.05650	11.5
206.08241	6.3
207.13931	10.2
217.12329	2.1
225.14975	3.1
243.81174	0.7
261.11224	0.7
265.03665	1.6
280.06253	2.2
321.44391	0.6
352.07733	0.8
353.08905	3.7
387.20218	9.0
388.20560	1.3
441.17670	10.5
442.17749	1.7
507.22235	1.8
525.23462	2.7
559.14716	0.8
603.18439	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	601.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72003	0.3
57.03448	0.4
59.01386	4.2
71.01390	0.9
71.14220	0.3
71.70692	0.8
85.02963	5.4
87.00867	1.3
93.03468	2.9
99.04537	1.2
104.88087	0.4
106.79180	0.3
109.02949	0.6
111.04540	0.6
115.04051	0.5
117.05614	0.6
127.04033	1.1
133.02983	0.8
135.04549	3.9
137.02473	0.4
155.03452	0.5
161.02473	2.8
161.08209	5.3
171.02979	0.4
173.04564	2.2
179.03529	3.7
191.05630	100.0
192.06007	4.2
203.09293	1.3
353.08795	19.8
354.09180	2.1
379.16302	0.6
531.12421	0.4
601.17920	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	601.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.6
61.98836	100.0
70.85695	5.4
71.01385	6.6
73.02971	3.1
73.42201	1.5
78.95909	1.5
81.03474	1.8
81.93943	1.6
82.30318	1.5
83.05054	1.7
85.02959	5.9
87.00892	1.9
88.98827	2.2
89.02452	3.1
93.03475	13.1
96.96004	2.3
99.04511	1.7
101.02440	4.8
109.02972	6.5
111.04519	3.7
113.02445	2.8
133.02974	2.2
135.04507	4.1
137.02461	7.6
152.03540	3.5
155.03526	3.8
164.03505	2.2
166.02684	1.9
171.10300	5.0
173.04582	19.1
191.05623	22.0
202.12369	1.6
207.10179	1.7
209.11848	7.7
210.12149	2.3
256.09845	18.9
257.10153	1.7
272.09332	6.1
281.06735	3.7
283.13409	7.2
301.14432	2.3
309.14944	2.5
327.16013	3.8
388.15213	2.0
403.17758	12.3
538.16888	9.3
574.96417	1.8
576.23053	2.2
585.23828	6.7
601.25061	2.5
601.36475	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	598.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
59.21380	0.4
60.99302	0.5
61.98835	100.0
85.02957	0.5
88.98820	2.5
93.03468	2.1
98.19830	1.0
109.03001	0.6
111.04548	1.2
133.02997	0.4
135.04559	0.7
137.02490	0.9
155.03522	0.5
169.32272	0.4
171.10406	0.6
173.04588	1.2
179.03503	0.8
191.05649	4.0
192.05948	0.4
215.66238	0.5
229.01636	0.4
463.08832	0.5
593.69092	0.5
599.21722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96344	0.2
59.01373	0.3
61.98833	100.0
67.01913	0.4
69.81033	1.7
71.68167	0.2
83.05031	0.5
85.02972	0.4
85.57113	0.3
88.98814	0.4
93.03469	2.1
98.19898	0.5
109.03026	0.4
111.04533	0.6
133.02975	0.3
135.04552	1.3
137.02480	0.8
155.03543	0.3
161.02505	0.4
162.94392	0.3
173.04597	1.1
179.03502	1.2
191.05635	4.1
192.05998	0.9
194.30769	0.3
195.97272	0.2
197.77721	0.3
211.33441	0.3
271.02417	0.3
299.02090	0.9
300.02884	0.4
335.07681	0.7
388.13794	0.3
463.09058	0.3
598.20691	0.6
599.21350	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	599.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58791	0.4
59.01386	3.0
59.01629	0.5
70.80035	0.7
70.80369	1.1
71.01388	1.6
72.99334	0.8
75.00887	5.5
80.96507	0.5
81.03465	0.9
83.01402	0.9
83.05047	3.0
84.99299	0.8
85.01034	1.0
85.02947	0.6
86.15051	0.5
87.00877	2.5
89.02470	0.9
89.03995	0.6
93.03471	7.1
95.97636	2.5
97.97152	0.4
98.00128	0.5
99.00892	1.4
99.04526	0.7
101.02453	0.8
103.00385	3.8
107.05049	1.1
109.02949	1.2
111.04545	10.0
112.98840	7.2
113.02460	0.8
115.00379	0.7
117.03441	0.6
120.17030	0.5
127.04035	0.8
133.03033	1.0
134.03778	4.9
135.04552	34.1
136.04877	2.2
137.02464	1.7
142.99947	0.5
145.01460	3.6
147.04530	0.8
154.99872	0.6
155.03532	8.7
157.01543	0.7
161.02469	2.2
161.04201	1.1
162.44214	0.4
164.07202	2.1
165.07556	0.9
173.02397	0.4
173.04617	4.4
174.62408	0.5
179.03528	18.3
179.05147	1.0
180.03867	1.8
181.03072	0.5
191.05621	6.0
192.05783	0.7
198.04515	0.9
199.04218	17.3
200.04599	0.8
205.03162	2.1
211.08360	0.5
217.05203	2.9
244.02791	3.5
245.03171	2.1
252.76239	0.5
259.06161	2.7
263.05838	1.1
271.02621	4.4
283.06335	1.3
289.04114	0.6
289.07492	3.1
293.12454	1.0
299.05728	0.8
327.05304	3.6
333.06351	1.0
345.06390	3.6
349.09872	0.6
353.08655	1.2
361.07413	10.5
362.07715	1.3
379.08258	0.9
401.08957	0.8
405.08676	3.0
419.10092	14.1
420.10428	1.4
421.09457	0.6
437.11108	15.6
438.11273	1.7
567.11584	2.4
599.14319	100.0
600.14673	16.7
600.24084	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
63.31444	0.4
63.96240	0.6
64.97018	1.8
70.52642	0.8
70.53055	0.9
71.01393	0.5
72.00905	3.4
72.40502	0.4
73.26572	0.4
75.00878	0.7
79.95746	10.5
80.96523	7.1
83.05046	0.6
85.03004	0.5
87.00889	0.8
92.99047	0.5
93.03468	1.9
93.51503	0.4
95.97627	27.2
99.16515	0.4
101.02441	0.5
103.00346	0.6
106.06908	0.4
109.02970	1.2
111.04531	2.1
112.98819	0.7
118.05824	0.9
118.06654	16.2
119.06977	0.5
120.75809	0.4
134.03723	0.6
135.04562	6.0
137.02478	1.1
145.01387	0.5
147.04549	14.7
152.01132	0.4
153.03966	0.5
155.03519	1.5
161.02480	0.7
162.05627	0.7
164.07202	39.6
165.07515	2.2
173.04585	1.5
179.03564	3.3
191.05600	1.9
198.02321	1.0
198.04517	0.7
199.04239	1.8
205.03177	0.6
226.01808	1.8
230.01613	0.4
244.02850	100.0
245.03093	5.6
259.06390	0.5
272.09277	3.1
273.09692	2.8
274.09857	1.3
327.05338	0.8
360.07852	0.6
361.07272	1.1
405.08328	0.6
418.10312	0.6
419.10065	1.3
434.14532	0.8
435.14993	1.3
436.15262	1.6
437.10995	1.5
566.12714	0.5
598.14398	5.9
599.14227	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	597.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
61.98827	2.0
63.02391	2.8
65.00320	3.4
66.31344	0.7
67.04566	0.7
70.18118	4.4
71.01353	0.9
78.95935	1.0
83.01404	4.0
85.02956	1.3
93.03466	3.2
95.01376	1.4
98.20622	1.0
100.28476	0.8
107.01409	7.1
108.02242	1.0
111.04544	1.8
124.01653	1.9
125.02504	4.4
137.02478	3.0
149.99579	0.9
151.00401	23.0
152.01208	7.2
153.01907	2.9
155.03548	1.3
163.00404	1.3
164.01169	1.1
169.01454	2.5
173.04605	3.4
175.03972	0.8
178.99881	12.3
180.00179	0.9
185.06111	2.4
191.05679	5.3
192.00635	2.3
193.01407	2.6
193.06485	0.9
205.01395	1.1
212.04796	0.9
213.05621	2.9
218.01787	1.0
223.07689	0.8
224.04823	0.8
225.05627	1.1
226.85899	0.8
237.05487	1.3
241.01581	0.9
243.02745	0.8
245.00919	0.9
265.05084	0.9
265.08734	1.1
270.01660	2.0
271.02429	3.5
279.06549	0.8
283.02890	0.8
291.06693	0.9
293.08337	0.9
299.01981	5.4
300.02597	1.6
306.05069	1.6
307.06046	2.2
308.03232	1.7
309.04065	3.2
311.01904	1.6
334.04630	1.2
335.05609	17.0
336.06158	3.9
337.07214	2.3
347.05783	1.6
348.06274	2.4
349.07025	2.2
351.05081	5.1
352.05362	1.0
364.05881	3.5
365.06699	18.8
366.07065	2.4
389.14005	3.3
417.13504	7.7
418.14078	3.6
419.15054	21.6
420.15308	3.7
433.12820	4.6
434.13489	5.0
435.14709	4.6
451.14124	1.0
461.07257	2.8
527.12000	1.7
528.12677	1.3
597.19818	100.0
598.20142	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	597.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00401	0.4
53.56360	0.4
55.01870	0.4
57.03445	0.7
59.01380	1.7
69.03461	0.4
70.06516	1.7
71.01394	6.4
73.02934	1.9
78.95945	0.5
81.03462	1.1
83.01409	1.6
85.02962	4.7
87.00886	2.8
93.03470	18.7
94.03817	0.7
95.01404	2.1
97.02959	1.0
99.00893	1.2
99.04517	0.4
101.02452	5.3
107.05051	0.6
108.02191	67.6
109.02986	29.6
110.03311	1.3
111.00879	1.0
113.02460	2.9
119.05047	0.7
121.02934	2.9
122.03760	0.7
123.00891	1.6
123.04535	1.2
125.02455	1.3
133.03008	0.9
135.04521	2.3
136.01727	2.4
137.02469	41.7
138.02832	1.6
143.03522	0.4
147.04524	1.4
149.02420	2.6
149.06148	0.6
150.03250	5.4
151.04057	3.2
152.01176	90.0
153.01970	28.4
154.02290	1.1
159.26114	0.4
161.02504	0.7
161.04546	0.5
163.02888	0.4
163.04001	2.4
164.04803	0.6
165.01988	1.1
165.05591	5.7
166.02684	0.9
167.03487	1.7
173.04539	1.3
174.01692	0.4
175.04054	0.8
177.01941	1.1
177.05461	0.5
179.03496	2.4
180.04132	0.5
181.05063	0.7
191.03499	1.2
191.05658	1.9
191.07077	0.5
193.05124	0.6
194.06015	0.5
195.02905	0.4
195.06659	1.9
209.04579	1.5
219.03250	0.5
221.04562	1.2
221.08237	0.5
225.03937	0.4
226.15109	0.4
239.05655	0.6
262.04810	0.5
277.07135	0.6
281.06686	18.6
282.06970	1.6
297.06155	0.5
315.07233	12.8
316.07510	1.4
320.12860	0.5
337.09286	1.7
391.10403	2.9
403.10321	0.7
435.09335	76.0
436.09726	9.2
459.09152	0.9
461.14288	1.4
477.10468	3.1
478.10410	0.6
489.09653	0.5
579.17175	1.4
593.89478	0.4
597.14594	100.0
598.14911	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97776	0.8
59.01376	1.2
61.98828	3.3
70.72047	2.8
71.01395	2.7
75.00888	1.0
77.70992	1.0
81.03465	7.9
83.01382	5.6
85.02946	2.3
88.98819	2.3
89.76411	0.9
92.82102	0.9
93.03471	7.9
95.01389	1.8
95.05038	3.8
97.02992	5.6
98.19950	1.2
99.00910	1.1
99.04527	2.2
99.92596	1.1
107.05037	2.1
109.02973	5.5
111.04521	3.3
113.02465	2.2
119.05036	7.5
121.02148	0.9
121.02977	3.6
121.06622	0.9
121.24238	0.9
123.00881	1.1
123.04554	17.1
124.04858	1.2
125.02477	10.4
133.01375	1.1
135.04524	4.4
137.02480	7.5
137.06096	6.8
139.04034	9.5
147.04543	3.4
149.02473	2.1
149.06070	1.6
150.67191	0.9
151.04010	4.7
151.07635	1.3
153.02005	5.8
153.05501	1.2
161.06041	1.2
163.04027	4.0
163.07664	2.2
165.01927	1.4
165.05582	6.0
166.02708	1.3
167.03529	26.1
173.04544	2.0
177.05563	2.3
179.03523	7.2
179.07094	1.6
180.04243	2.2
181.05038	2.2
189.05603	5.6
190.05969	1.1
191.03528	2.6
191.05626	2.2
193.05051	3.0
197.04626	4.7
205.05112	1.5
207.06644	1.4
209.02689	1.9
209.04581	27.9
210.04892	1.4
221.04544	3.7
223.06187	1.0
229.08636	1.6
233.04610	1.4
239.05652	10.6
251.05618	4.2
263.05667	1.8
269.06674	1.9
273.07648	3.5
285.07532	1.0
315.08728	17.9
316.09030	2.3
327.08929	6.3
328.09283	1.2
341.10510	1.1
345.09900	6.6
357.09818	100.0
358.10144	11.1
369.09827	3.8
387.10870	76.9
388.11261	9.6
395.06464	1.2
399.10730	3.4
417.11963	24.6
418.12289	3.8
429.11755	2.1
459.13034	11.5
460.13165	1.6
477.07446	1.7
477.14032	23.2
478.14368	3.8
489.14267	8.1
507.15024	3.3
517.19550	1.0
561.17029	1.3
579.17377	2.1
590.65979	1.2
597.18542	11.3
598.18927	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	597.147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.6
57.12127	0.4
59.01375	1.4
66.17213	0.4
68.99823	0.6
69.03461	0.6
70.03835	0.5
70.07368	2.5
71.01383	5.3
73.02965	1.2
81.03477	1.4
83.01392	1.1
85.02952	4.2
87.00892	1.5
89.02457	0.5
93.03475	17.6
94.03768	0.5
95.01419	2.5
96.99306	0.5
97.02956	0.6
101.02471	3.5
101.03049	0.6
107.05107	0.7
108.02191	60.4
108.13033	0.5
109.02992	24.9
110.03295	0.6
111.00877	0.6
113.02452	3.0
119.05019	0.6
121.02950	3.0
123.00895	1.3
123.04528	1.1
125.02467	1.0
133.02904	0.8
133.36499	0.5
134.03851	0.6
135.04529	1.7
136.01672	2.4
137.02466	39.3
138.02817	1.8
148.36409	0.4
149.02486	2.3
150.03261	3.1
151.04012	2.0
152.01176	83.3
153.01964	23.6
154.02306	0.9
163.04028	1.7
164.04633	0.6
165.01907	1.4
165.05554	3.3
166.02684	0.8
167.03532	2.2
173.04597	1.3
177.01976	0.7
179.03497	1.4
181.04987	0.4
185.05945	0.5
191.03583	1.0
191.05565	1.2
195.02975	0.6
195.06641	1.2
209.04581	1.2
221.04576	0.9
225.04030	0.6
281.06656	17.6
282.07031	2.1
315.07239	11.9
315.10858	0.6
316.07635	0.7
319.94003	0.6
337.09451	0.6
391.10458	2.8
435.09335	67.9
436.09634	8.1
459.09427	0.7
461.14490	0.9
477.10233	3.3
597.14612	100.0
598.14917	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01381	6.4
61.98831	18.4
65.03968	0.8
69.03447	0.9
71.01390	5.4
71.72000	0.7
72.99319	0.4
73.02950	0.8
78.95930	0.5
81.03470	0.7
83.01400	1.5
85.02960	4.8
87.00874	1.0
87.98081	0.4
88.98817	1.8
89.02470	2.1
93.03469	46.8
94.03798	1.9
95.01405	2.5
96.96014	0.8
96.96993	0.7
97.02968	0.7
99.00898	1.3
101.02457	3.4
107.01363	0.6
108.02190	37.1
109.02985	14.6
111.04488	0.6
113.02462	4.0
116.92868	0.7
119.03552	0.5
121.02959	1.9
123.00906	1.1
123.04581	0.6
123.67336	0.4
125.02470	1.8
133.02989	1.4
135.04562	2.0
137.02466	65.8
138.02795	2.8
149.02451	0.7
149.06078	0.6
151.00395	1.8
151.04042	1.1
152.01176	63.4
153.01973	28.8
153.03035	0.3
153.03293	0.7
153.67593	0.4
154.02307	1.6
155.03442	0.5
158.97043	0.4
159.04607	0.5
160.91141	0.4
161.02409	1.0
161.04581	0.7
163.03999	2.1
165.02022	0.5
167.03647	0.6
173.04546	1.8
173.05998	0.6
175.04062	1.4
177.01921	0.6
178.99828	1.2
179.03563	1.1
183.04460	0.5
187.04008	0.7
189.01968	1.2
189.05623	0.4
191.05626	2.6
193.05077	0.8
199.04184	0.4
201.80788	0.4
209.04538	0.5
217.05202	0.5
219.02995	0.5
221.06631	0.4
227.03513	0.6
256.03531	0.5
271.02527	0.7
271.08209	0.5
284.03299	5.7
285.04025	11.3
286.04398	0.9
297.06238	2.0
299.02435	0.6
299.05588	2.2
300.02570	0.5
301.03552	0.9
315.07452	2.4
341.06741	1.5
353.06540	0.5
387.09357	0.5
393.06366	0.5
419.04208	0.9
435.09402	7.4
436.09738	1.1
438.81912	0.4
447.09201	0.9
451.17807	0.7
451.64288	0.5
452.18707	0.9
453.18741	1.3
459.11539	5.8
460.11646	0.7
477.12433	6.9
478.12689	0.8
503.09821	0.9
539.09540	0.5
543.14764	0.6
559.14429	0.7
561.15570	0.7
597.14502	100.0
598.14911	17.7
623.81635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2893
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
56.06603	0.6
58.82549	0.5
59.01380	1.1
61.98836	1.2
69.58783	1.7
69.59219	3.1
73.12218	0.5
78.95911	61.5
80.91693	1.5
93.03491	0.6
96.96979	9.5
98.20043	1.6
111.62909	0.5
150.98024	1.3
151.00406	0.9
152.99614	84.4
153.99963	0.9
154.18198	0.5
161.19714	0.5
171.00624	2.6
173.04564	0.6
178.99857	1.0
191.05716	0.7
223.00127	9.8
241.01195	22.8
242.01534	0.7
259.02240	1.6
277.21906	0.6
279.23297	61.7
279.73959	0.6
280.23605	7.9
298.12561	0.6
315.04861	12.1
316.05209	0.6
326.85971	0.5
333.05890	1.1
415.22473	0.6
595.28931	100.0
596.29260	20.5
596.37457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2192
Annotation	Kadsulignan D
Peak:m/z	Relative Intensity
50.16421	0.4
52.27035	0.4
52.87510	0.4
59.01381	0.6
61.98837	1.8
71.25575	1.1
73.27463	0.5
85.02966	0.5
89.03995	1.5
93.03487	2.5
105.03508	0.7
109.02988	1.0
111.04548	0.9
117.03482	5.1
118.03810	0.5
119.05057	1.5
121.02963	0.8
132.02200	5.8
133.02977	9.0
134.03764	62.3
135.04575	20.9
136.01669	0.5
136.04875	1.4
137.02472	5.8
138.03125	0.5
139.04050	0.9
146.03706	0.4
147.04530	3.0
148.05290	1.2
149.02434	0.9
149.06117	5.6
150.03210	0.8
151.00404	1.7
151.04019	1.6
152.01183	1.0
153.05586	1.1
159.04521	0.5
160.01685	14.3
161.02481	6.7
161.06030	0.5
162.03030	0.6
165.01964	0.5
165.05597	0.4
166.01483	0.5
166.02698	2.2
167.03549	0.9
173.04601	1.6
173.84232	0.4
174.03207	0.4
175.04015	10.3
176.04332	0.5
177.01949	0.5
177.05595	0.5
178.02731	4.0
179.03522	17.0
180.03911	0.9
181.05038	2.0
187.04008	0.7
188.04904	0.4
189.05649	0.4
191.03777	0.7
191.05637	3.8
192.04303	0.5
193.05080	32.2
194.05406	1.8
200.32378	0.4
204.04326	0.6
205.05090	0.5
207.06659	4.6
208.06935	0.6
222.18636	0.7
229.01463	0.7
243.02960	0.7
255.02933	1.8
271.02493	3.2
300.02789	6.5
301.03354	0.8
371.11353	1.4
372.11737	0.6
387.14319	1.6
401.16443	1.0
504.64673	0.4
580.19592	3.6
581.20038	0.8
595.13586	5.3
595.21869	100.0
596.14172	1.0
596.22229	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
57.35957	0.6
59.01365	1.8
60.99304	1.2
61.98834	34.8
67.01899	4.7
67.31911	0.5
69.03461	1.1
69.50473	4.0
69.50877	1.4
71.01398	3.5
74.26456	0.5
74.28584	0.6
78.95911	2.7
81.03460	1.4
83.05029	1.2
85.02962	1.4
87.00882	1.5
93.03472	29.1
94.03793	0.8
111.00863	0.8
111.04541	4.6
125.02404	0.6
137.02495	4.1
146.04619	0.7
151.00366	1.3
152.99632	2.5
155.03508	4.5
159.04457	1.0
165.01930	0.9
168.49440	0.6
171.14041	0.6
172.05292	4.1
173.04573	100.0
174.04941	3.8
175.03963	0.7
178.99858	1.0
183.03040	1.1
191.05656	7.1
197.15474	1.0
200.04799	2.3
203.03604	0.9
229.80942	0.7
241.01227	1.1
277.21729	1.6
278.21906	1.0
283.13290	1.3
285.18378	0.7
289.71918	0.6
300.02734	1.3
305.89108	0.6
313.18115	10.2
314.18488	1.5
349.10565	0.6
354.01523	0.6
357.17111	10.9
358.17426	1.2
429.85077	0.6
432.30759	0.6
504.97034	0.7
531.22382	22.2
532.22754	4.0
594.27911	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	595.131
Annotation	Peltatoside
Peak:m/z	Relative Intensity
63.02418	0.3
65.00333	0.8
69.43333	2.5
83.01398	0.5
104.03336	0.2
107.01421	1.2
108.02225	1.2
121.02965	0.3
135.00870	0.6
148.01683	1.5
151.00391	4.2
152.00772	0.2
163.00453	0.7
164.01076	0.4
173.57321	0.2
178.99886	3.3
187.04019	0.3
192.00655	0.4
198.03265	0.3
199.03926	0.6
203.03473	0.4
211.03943	0.4
215.03551	0.8
216.04312	0.4
226.02728	1.6
227.03481	2.1
228.03969	0.5
239.58708	0.2
243.02989	9.7
243.98380	0.3
244.03427	1.3
254.02222	2.4
255.02980	25.1
256.03369	2.2
271.02472	55.2
272.02884	5.9
273.04010	0.4
283.02399	0.4
299.02078	1.9
300.02765	100.0
301.03262	15.0
302.03860	0.6
373.05270	0.3
391.95508	0.3
445.07642	0.5
463.09741	0.3
475.08838	0.5
595.13092	53.8
596.13422	9.6
596.23071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1673
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.08170	0.8
59.01362	0.8
68.99808	1.2
69.03451	1.1
69.57304	0.7
70.04651	0.6
70.18797	0.6
71.01382	1.0
71.46696	1.5
76.15204	0.7
79.01884	1.5
81.03465	1.6
83.01403	3.8
83.05042	0.7
85.02921	1.1
86.81636	0.6
93.03468	6.5
95.01415	2.1
95.05015	0.9
97.02985	3.8
107.01410	5.9
107.05026	1.8
109.02954	3.4
111.04549	1.4
117.03465	1.1
119.05047	35.9
119.05904	1.8
120.05388	2.0
121.02966	4.1
123.00871	1.0
123.04540	3.7
125.02470	9.2
125.61755	0.9
133.03029	1.4
135.04521	2.3
137.02481	5.0
137.06152	0.9
139.04034	5.1
143.05052	6.1
145.02951	6.9
147.04565	3.6
149.02472	4.5
151.00388	4.5
151.04080	1.7
161.02441	1.2
161.06119	2.3
163.00397	3.9
163.04034	3.5
164.01094	1.8
165.01982	6.3
165.05473	1.0
167.03523	9.3
175.04051	0.9
177.01988	5.2
177.05579	1.4
178.02751	1.1
179.03529	3.4
180.04123	0.8
187.03995	6.7
191.03552	4.1
191.05455	0.7
192.00748	0.8
192.04207	0.9
193.01425	9.0
195.02872	0.9
197.04552	2.8
197.06140	1.0
199.07648	2.4
203.03564	1.4
205.01471	7.9
205.04962	1.1
206.02017	1.3
207.02977	3.6
209.04538	4.4
219.02975	3.2
221.04594	1.2
223.02489	1.1
227.07101	3.0
231.02960	0.9
235.02498	14.7
236.02766	1.0
239.05609	2.7
241.08774	1.1
243.06676	0.9
247.02429	1.8
249.04079	2.6
261.03992	2.8
265.03583	6.2
265.08493	1.3
269.08392	0.9
271.06061	4.2
283.06308	1.1
283.09732	1.1
297.07886	1.3
311.09174	1.1
313.07193	19.8
314.07578	1.7
325.07169	6.9
327.08682	1.5
339.08835	1.0
343.04886	0.8
343.08365	7.1
344.08755	1.0
353.06702	1.0
355.08243	83.8
356.08569	9.4
367.08249	4.9
369.09866	1.9
379.08017	1.0
385.09308	62.9
386.09528	8.3
397.09335	5.2
415.10342	19.3
416.10675	1.3
427.10553	2.0
439.10361	1.6
447.56921	0.9
457.11453	8.0
458.11880	1.1
475.12473	37.3
476.12820	5.0
487.12473	5.5
505.13507	9.7
506.13974	1.5
577.16022	5.2
595.16718	100.0
596.17108	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	594.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	14.9
62.42149	0.9
70.21756	2.0
70.22180	2.9
72.45928	1.1
73.02945	1.5
83.05079	1.3
85.02953	1.1
93.03464	12.2
93.47248	0.9
94.03868	0.9
98.19844	1.1
99.00930	1.3
109.02972	5.4
111.04552	3.5
121.02977	11.8
122.03303	2.3
131.05031	2.2
133.02910	1.1
134.03741	1.9
135.04544	2.7
137.02467	6.4
140.09242	1.0
146.03769	1.9
147.04561	2.1
149.06146	2.1
153.01982	1.6
155.03529	2.0
158.03751	3.0
159.04550	27.8
160.04979	2.9
161.02484	19.7
162.03287	5.8
171.13930	5.4
172.05338	2.8
173.02486	1.6
173.04712	1.8
173.06073	1.7
174.03267	9.0
175.04034	12.3
176.04814	20.5
177.05577	11.3
185.06075	1.3
186.06976	1.7
187.03835	1.0
188.04851	1.5
191.03516	1.3
191.05614	1.1
199.03938	2.3
200.04768	1.3
201.05556	1.8
202.02771	3.3
203.03546	18.5
204.03941	1.1
209.04588	7.0
210.04913	3.8
213.05637	1.5
221.04539	2.1
232.88118	1.2
285.18539	7.3
287.16641	1.5
295.16910	1.8
295.22711	1.3
303.19638	2.1
311.16351	1.1
311.27850	1.0
313.18097	100.0
314.18393	14.8
315.12915	1.2
315.16025	7.2
315.19687	2.5
316.16583	1.3
329.17593	5.1
330.18076	1.8
331.19162	13.5
332.19498	1.4
357.17090	50.7
358.17542	5.8
359.07742	19.9
360.08032	2.7
367.62000	0.9
375.17987	7.5
376.18625	1.3
505.40289	1.1
513.21307	75.8
514.21637	15.4
520.30273	3.6
531.22449	29.0
532.22638	5.2
586.01385	1.0
594.13623	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	594.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.98828	29.1
71.01381	1.9
81.03481	2.8
83.05042	2.5
85.02958	2.6
89.63042	1.4
93.03469	18.6
109.02975	4.6
111.04536	5.6
121.02968	1.4
131.05109	1.9
133.02979	2.6
134.03760	2.5
135.04572	3.1
137.02461	9.0
139.08791	1.8
146.03786	2.8
147.04538	2.5
149.06111	1.8
150.36635	1.7
153.01953	2.9
155.03503	2.5
158.03787	1.4
159.04530	24.1
161.02455	17.9
162.03297	6.6
171.13927	3.5
171.66582	1.3
173.02332	1.7
173.04564	5.8
173.05940	1.9
174.03209	6.3
175.04007	10.3
176.04802	18.5
177.05582	10.0
185.06071	1.3
189.02043	1.7
191.05684	10.0
192.04147	1.5
195.31348	1.4
199.02492	2.6
199.04086	2.3
201.05559	1.8
202.02818	3.4
203.03513	15.7
204.03844	1.3
213.05685	2.3
221.04497	1.6
285.18616	4.0
287.16586	1.6
295.16852	1.8
300.02615	1.8
313.18091	100.0
314.18457	13.7
315.15997	9.0
315.19388	2.8
329.17673	9.7
331.19205	19.3
332.19415	2.8
357.17062	46.0
357.78381	1.4
358.17392	7.4
359.07758	18.4
375.18115	7.4
513.21283	80.1
514.21625	17.1
531.22339	37.2
531.29047	1.3
532.22626	6.4
595.12994	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	594.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	6.5
61.98838	52.8
71.01376	7.4
71.70387	9.1
72.45687	5.8
78.95908	6.9
83.05060	6.5
85.02948	7.3
93.03442	39.9
94.14629	5.6
109.02955	8.1
111.04575	15.5
118.73119	5.7
135.04568	11.5
135.37279	6.0
137.02475	20.6
141.55617	6.0
149.06142	12.9
155.03545	14.4
159.04558	82.1
161.02422	11.1
172.05347	12.3
173.04570	26.5
173.05928	10.0
175.03999	62.3
177.05598	20.5
179.03493	8.1
191.05632	52.4
203.03534	100.0
255.02896	14.8
271.02463	21.1
285.18558	69.2
286.18896	7.9
300.02628	43.0
303.19708	54.3
304.19977	7.3
313.17981	9.0
329.17401	9.2
336.58771	6.3
348.68634	5.8
354.96439	6.5
357.17068	12.0
359.07693	60.2
377.08859	33.0
503.22775	82.4
504.23236	11.0
513.21344	8.2
531.22406	43.4
532.22742	8.9
594.28973	8.6
595.12976	27.9
610.17181	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	593.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09843	1.2
55.01873	1.6
57.03439	3.0
58.00593	1.5
59.01382	100.0
61.98833	27.4
62.98588	1.3
67.01916	1.4
71.01392	22.5
72.99324	1.9
73.02953	5.6
78.95932	2.5
83.01394	5.1
85.02961	12.4
87.00874	2.7
87.85101	1.2
88.98783	1.7
89.02431	3.0
93.03460	9.4
95.01411	2.8
98.20623	4.9
99.00912	2.8
101.02455	13.6
109.02973	2.4
111.04528	2.0
113.02462	9.9
119.03563	2.2
125.02480	3.0
133.02988	3.1
135.04526	2.8
137.02480	3.1
143.03474	2.7
155.03540	2.7
159.04456	1.3
161.04529	2.8
173.04601	8.8
175.04066	2.1
178.02733	1.7
179.03448	2.2
191.05646	17.6
209.11813	2.3
211.13422	1.4
284.03223	2.4
285.04041	1.7
299.25745	1.9
345.30157	6.6
403.17700	1.4
489.34357	77.1
490.34604	15.6
507.35428	40.3
508.35684	7.2
533.33124	2.1
549.36383	9.9
593.14868	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	593.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.0
57.03439	4.1
57.18726	1.1
58.00591	2.2
59.01385	55.2
61.98837	8.2
69.06773	1.4
71.01392	59.3
71.69948	2.3
72.01720	1.8
72.99311	2.6
73.02960	12.7
74.49399	1.2
75.00876	1.6
81.03507	1.2
83.01392	8.2
85.02966	19.0
86.70312	1.3
87.00885	4.4
88.98829	1.6
89.02459	34.8
93.03473	1.9
95.01390	4.5
97.02981	2.8
99.00881	4.6
99.04533	2.9
101.02463	51.1
107.01411	2.3
109.02953	3.1
113.02467	20.6
114.31740	1.1
119.03535	13.5
121.02936	1.4
125.02464	4.1
131.03520	3.8
135.04512	2.5
137.02455	1.9
143.03520	5.9
149.04620	3.5
151.00426	5.7
151.04002	1.7
160.03984	2.3
161.02496	1.7
161.04590	23.6
163.00410	2.4
172.99651	1.5
173.04549	4.0
178.99860	2.4
179.03468	1.9
179.03722	2.0
179.05634	34.7
191.05605	4.6
221.06694	7.8
227.03416	1.6
243.03055	1.4
255.03018	4.6
263.07736	2.2
271.02448	5.2
284.03180	1.4
285.04050	8.9
300.02808	8.7
301.03613	9.1
301.06638	1.8
316.47720	1.2
341.10745	1.8
371.20828	11.4
449.23807	2.6
533.26019	100.0
534.26251	15.1
549.28827	2.8
561.15027	1.9
575.14075	2.3
593.14807	20.0
593.29449	2.0
594.14716	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	593.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03455	2.4
58.00565	0.7
59.01382	10.8
61.98841	3.5
63.36443	0.5
63.92978	0.4
65.00334	0.7
67.01902	0.4
71.00986	0.8
71.01389	16.2
71.70334	0.8
72.66207	0.5
72.99338	0.7
73.02948	3.9
73.27560	0.5
75.00880	0.9
78.03905	0.5
82.01236	0.4
83.01389	3.3
85.02956	6.8
85.77708	0.5
87.00886	1.3
88.98808	0.6
89.02458	7.4
91.27357	0.5
91.99365	0.6
93.03474	3.2
95.01423	0.9
97.02966	1.0
99.00877	1.4
99.04517	1.5
99.92575	1.0
101.02463	14.9
107.01411	2.0
109.02993	2.7
111.00884	0.6
111.04527	0.7
113.02471	6.6
114.94930	1.0
116.92869	2.5
117.03500	1.2
119.03542	2.8
119.05048	0.7
125.02464	1.9
131.03496	0.8
132.02182	1.4
133.02982	0.8
135.00893	0.6
135.04538	3.6
137.02449	1.2
138.01286	0.5
141.07144	0.5
143.02501	0.5
143.03398	2.3
143.05066	0.9
147.04602	0.6
151.00322	3.3
151.04015	0.8
152.01093	0.6
153.01956	1.1
154.01387	0.6
157.06628	0.5
158.93927	3.6
159.03047	0.7
159.04530	1.5
159.94020	0.5
161.02438	1.1
161.04581	10.3
163.00409	3.1
163.04010	0.5
164.01004	0.7
165.01994	1.0
169.06636	1.1
171.04579	0.8
173.04578	2.0
173.05951	0.7
174.03349	0.7
175.04028	0.9
177.01915	1.2
178.99799	0.6
179.03580	0.7
179.03940	0.8
179.05627	6.2
183.04483	1.0
185.06082	2.5
187.04054	3.6
187.07669	0.6
189.05515	1.1
190.99913	0.7
191.05673	4.7
197.06075	1.2
199.03973	1.0
211.04021	3.4
212.04582	0.8
213.05585	2.2
215.03517	0.7
217.04996	0.5
221.06670	0.7
227.03523	36.9
228.03862	3.7
229.05070	13.6
230.05354	0.6
231.90683	0.5
239.03511	2.0
240.04112	0.8
241.05008	1.2
255.02989	64.4
256.03482	9.5
257.04568	7.6
258.04852	1.2
263.07681	1.8
267.03152	1.0
270.07605	1.2
283.02612	0.9
283.05997	1.2
284.03278	70.1
285.04031	91.1
286.04419	9.5
295.06104	1.4
297.07706	1.7
300.02631	0.9
311.05569	1.1
323.05618	0.8
325.07404	0.6
327.05249	1.4
351.05167	1.1
353.06543	3.2
354.06982	0.9
369.06100	1.7
371.20782	1.9
383.07620	1.0
471.09424	0.6
489.10275	1.6
533.26044	21.2
534.26331	3.2
567.11072	0.6
575.14160	10.0
576.14465	2.6
593.15161	100.0
594.15533	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.9
56.06472	1.2
57.03451	11.2
58.00584	2.3
59.01382	50.0
61.98836	15.5
66.49237	1.2
67.01887	1.6
69.03453	1.9
71.01387	60.2
71.69900	1.9
72.01737	1.6
72.99313	3.4
73.02950	20.1
75.00887	2.0
81.03499	1.8
83.01398	13.2
83.05027	1.5
85.02962	27.9
87.00879	6.1
88.98838	2.8
89.02457	29.3
93.03491	4.5
95.01398	5.8
96.94527	1.1
97.02966	5.4
99.00905	6.1
99.04529	5.6
101.02457	63.2
102.02792	1.9
104.98100	1.3
107.01375	1.9
109.02965	7.3
111.04581	2.3
112.90633	1.2
113.02475	31.9
113.91495	1.2
116.92873	6.2
117.03513	2.3
119.03515	11.1
119.05078	1.8
123.04601	1.3
125.02482	6.2
125.06079	1.3
128.03604	1.6
131.03520	2.1
135.04527	12.2
137.02454	3.4
139.48749	1.4
143.03532	8.1
149.04608	2.2
151.00360	4.0
152.01233	1.8
155.03548	2.6
158.93930	3.8
159.02983	3.8
160.04089	2.6
161.02541	2.7
161.04578	50.1
163.03967	2.0
167.51241	1.2
170.68417	1.5
173.04602	8.6
177.01996	3.5
178.99875	1.4
179.05634	25.8
179.29115	1.2
180.06052	1.3
191.05605	13.5
221.06676	3.0
227.03561	13.3
229.05060	3.5
239.03491	1.7
255.02998	19.4
256.03473	3.2
257.04486	2.3
263.07693	8.0
268.06146	5.0
269.06485	5.9
270.07727	7.3
271.02386	2.1
283.06012	2.7
284.03265	23.6
285.04065	27.0
286.04401	3.6
295.05954	1.9
297.07516	2.0
311.05734	2.8
321.03937	1.6
323.05457	2.4
325.07269	2.7
339.05054	1.6
353.06586	6.3
369.06110	3.2
371.20731	9.2
393.17813	1.9
473.10974	3.5
489.10333	3.4
513.94250	1.3
531.24255	2.1
533.25989	100.0
534.26355	17.2
575.14075	19.9
576.14246	3.8
593.15271	38.8
594.15594	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	593.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09081	1.0
51.41850	1.0
55.01868	1.3
57.03432	2.0
58.00584	2.9
59.01380	100.0
60.01712	1.5
71.01389	55.0
72.99307	4.7
73.02936	3.5
83.01392	2.8
85.02962	12.8
87.00885	4.3
89.02457	64.5
93.03463	3.8
95.01407	3.3
97.02945	0.9
98.20747	1.7
99.00867	1.7
101.02463	33.6
102.02791	1.3
107.03489	1.0
109.02958	2.1
111.04533	1.1
113.02474	24.0
117.03495	1.2
119.03517	28.0
119.04897	1.2
125.02435	3.8
131.03496	4.5
133.03012	1.0
135.04523	2.2
137.02458	2.6
143.03569	8.0
147.04532	4.2
149.04549	2.7
151.00359	2.3
151.30319	1.0
161.04568	8.9
164.07196	6.9
165.05562	2.0
165.07571	1.5
167.03476	1.2
173.04533	5.4
177.01930	1.4
179.03444	1.4
179.05641	30.1
183.04373	1.3
191.05609	9.6
192.05893	1.1
206.08221	12.2
207.06781	1.3
207.08444	5.7
209.04588	2.2
211.03967	1.3
212.04958	1.0
227.03378	1.7
229.05009	1.2
255.02980	22.6
256.03275	2.0
257.04510	1.3
270.07748	2.6
283.02518	47.7
283.05670	1.9
284.02985	6.2
285.04044	89.1
286.04385	8.7
297.07785	1.3
311.05405	1.7
326.22192	1.1
327.05255	3.1
339.05145	2.6
351.04892	1.4
353.06644	2.9
354.07178	1.5
369.06094	1.5
383.07623	2.4
401.11566	1.4
431.10065	5.9
442.11237	1.2
446.08337	9.7
447.09332	16.5
448.09607	3.7
459.09229	4.5
473.10764	2.5
533.26001	57.0
534.26288	9.3
593.15112	46.2
594.15540	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	593.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
56.39051	0.9
57.03452	15.2
58.00618	2.1
59.01382	71.2
60.99290	1.4
61.98836	45.9
69.03462	2.3
71.01388	61.7
71.71053	0.9
71.71437	1.9
72.99294	2.7
73.02954	12.9
83.01391	6.4
85.02967	17.9
87.00896	6.2
88.98823	5.2
89.02460	57.9
93.03484	6.2
95.01393	4.0
97.02996	1.2
99.00884	4.4
99.04533	19.2
100.69283	1.0
101.02460	62.0
102.02786	2.4
102.98605	1.0
104.01369	1.0
108.02180	1.1
109.02965	4.2
111.00875	1.3
113.02473	23.0
116.92879	2.4
119.03525	24.2
125.02468	13.4
131.03514	7.4
135.04530	2.0
137.02472	14.4
143.03537	12.0
145.02995	1.3
147.04570	1.6
149.04578	3.3
151.00438	1.8
159.03011	1.6
161.04584	23.2
162.04834	1.1
163.04060	1.4
163.11255	1.2
173.04585	5.7
175.04027	1.2
177.54385	1.0
179.05630	100.0
180.06000	4.0
189.11218	1.1
189.12903	1.2
191.05621	7.3
207.13869	2.1
218.34871	1.1
221.06683	22.8
222.07013	1.7
261.66971	1.3
267.06598	1.4
269.08160	2.1
270.07669	3.3
281.08798	1.7
283.06229	1.3
285.04099	2.8
295.05954	2.3
296.06943	1.1
297.07703	2.3
300.02740	1.3
311.05719	1.8
313.07114	1.2
322.04416	1.1
323.05789	1.5
323.09732	1.4
339.05139	5.1
341.10843	4.5
351.05008	1.7
353.06519	5.7
369.06119	2.3
383.07526	2.3
387.20334	1.2
393.17728	1.8
399.02216	1.0
399.07544	1.0
429.21399	4.0
473.10870	1.9
489.10464	1.8
491.76260	0.9
531.24341	11.2
533.25873	15.5
534.26172	3.3
540.30493	1.2
563.31110	1.1
575.14264	14.9
576.14160	2.2
593.15253	6.0
594.15741	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	593.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
56.39051	0.9
57.03452	15.2
58.00618	2.1
59.01382	71.2
60.99290	1.4
61.98836	45.9
69.03462	2.3
71.01388	61.7
71.71053	0.9
71.71437	1.9
72.99294	2.7
73.02954	12.9
83.01391	6.4
85.02967	17.9
87.00896	6.2
88.98823	5.2
89.02460	57.9
93.03484	6.2
95.01393	4.0
97.02996	1.2
99.00884	4.4
99.04533	19.2
100.69283	1.0
101.02460	62.0
102.02786	2.4
102.98605	1.0
104.01369	1.0
108.02180	1.1
109.02965	4.2
111.00875	1.3
113.02473	23.0
116.92879	2.4
119.03525	24.2
125.02468	13.4
131.03514	7.4
135.04530	2.0
137.02472	14.4
143.03537	12.0
145.02995	1.3
147.04570	1.6
149.04578	3.3
151.00438	1.8
159.03011	1.6
161.04584	23.2
162.04834	1.1
163.04060	1.4
163.11255	1.2
173.04585	5.7
175.04027	1.2
177.54385	1.0
179.05630	100.0
180.06000	4.0
189.11218	1.1
189.12903	1.2
191.05621	7.3
207.13869	2.1
218.34871	1.1
221.06683	22.8
222.07013	1.7
261.66971	1.3
267.06598	1.4
269.08160	2.1
270.07669	3.3
281.08798	1.7
283.06229	1.3
285.04099	2.8
295.05954	2.3
296.06943	1.1
297.07703	2.3
300.02740	1.3
311.05719	1.8
313.07114	1.2
322.04416	1.1
323.05789	1.5
323.09732	1.4
339.05139	5.1
341.10843	4.5
351.05008	1.7
353.06519	5.7
369.06119	2.3
383.07526	2.3
387.20334	1.2
393.17728	1.8
399.02216	1.0
399.07544	1.0
429.21399	4.0
473.10870	1.9
489.10464	1.8
491.76260	0.9
531.24341	11.2
533.25873	15.5
534.26172	3.3
540.30493	1.2
563.31110	1.1
575.14264	14.9
576.14160	2.2
593.15253	6.0
594.15741	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	593.274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98820	0.9
69.98035	2.1
71.01382	0.4
78.95914	64.9
93.03442	0.5
96.96976	11.4
98.20555	0.4
110.65392	0.3
128.55585	0.4
130.20320	0.4
131.06816	0.4
150.98022	1.0
152.99612	91.0
154.00035	2.1
171.00667	2.6
173.04636	0.7
179.66304	0.4
191.05605	1.0
223.00148	10.5
224.00410	0.5
241.01195	25.7
242.01491	1.0
259.02161	1.9
259.20764	0.7
277.21732	48.4
278.22083	4.9
315.04886	14.4
316.05017	0.8
333.05890	1.5
364.25531	0.3
378.65091	0.4
381.12134	0.4
401.19321	0.4
518.60358	0.4
593.27356	100.0
594.27740	20.1
594.35431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
56.31076	0.4
59.01387	0.7
71.01392	0.8
71.62717	0.6
93.03510	1.4
117.03476	6.1
119.05042	1.4
125.02441	0.5
133.06575	0.6
135.04536	2.3
137.02437	0.5
145.02959	0.6
147.04581	0.6
149.02435	0.8
149.06088	0.6
159.04477	0.5
161.02469	3.0
163.04063	1.4
175.04039	1.9
177.01869	0.7
177.05623	1.5
179.03503	1.3
189.01880	0.7
191.03476	1.3
197.48302	0.5
200.65102	0.6
203.03516	0.7
205.05103	0.8
238.06395	0.6
245.04559	0.5
251.07126	1.1
253.08644	0.6
255.02950	1.5
267.06470	0.8
268.07327	1.4
281.04437	0.6
282.05347	2.7
283.02481	2.1
283.06116	2.7
284.02969	0.6
285.04019	3.5
295.06128	5.1
296.06888	3.1
297.07700	21.0
298.07999	2.1
307.06067	1.7
309.07803	2.9
311.05786	3.2
317.36499	0.6
323.05676	3.4
324.06180	1.2
325.07184	10.0
326.07468	1.4
328.06058	3.0
335.05652	1.7
337.07251	2.5
351.05130	0.8
353.06677	44.6
354.07031	4.8
355.08151	1.1
356.05298	0.7
365.06662	5.1
381.06308	0.7
383.07751	25.9
384.08228	2.7
395.07687	3.3
407.08054	0.6
413.08755	2.2
425.08774	1.3
447.09451	0.5
455.10129	0.6
473.10925	10.8
474.11252	1.6
503.12070	2.6
504.13107	0.6
575.14069	0.9
593.15149	100.0
594.15497	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71078	0.2
57.03450	0.4
59.01380	1.4
60.44090	0.3
61.98834	2.1
63.02401	0.7
63.76881	0.2
65.00322	0.3
70.43626	0.3
71.01385	0.8
71.70892	0.4
71.71307	0.3
72.06848	0.3
73.02940	0.3
74.66626	0.3
81.03476	0.7
83.01393	0.9
83.05044	2.9
85.02974	0.4
87.00866	0.5
87.04517	0.3
88.98813	0.6
89.02463	0.3
91.01910	0.4
93.03466	2.4
95.01395	0.4
100.21937	0.2
101.02477	0.8
103.00362	0.3
107.01397	2.0
109.02966	1.5
113.02443	0.3
117.03481	0.4
118.11765	0.3
119.01414	0.3
119.03572	0.3
123.00894	0.3
125.02457	0.8
129.15933	0.3
135.00870	0.9
135.04575	0.6
137.02460	0.7
141.07082	0.4
143.05086	1.4
145.02998	0.5
147.00951	0.3
151.00410	1.3
153.01950	0.7
155.05130	0.3
157.06583	1.0
159.04585	1.3
161.02493	0.4
163.00410	2.6
164.00909	0.3
165.01961	0.6
167.05051	0.5
169.06583	1.1
171.04530	1.0
173.04616	0.7
175.02625	0.3
177.01927	0.5
178.99867	0.7
183.04437	0.5
184.05270	0.3
185.06099	3.5
187.04010	3.7
188.04396	0.4
189.05533	1.6
190.99989	0.4
191.05637	1.8
195.04517	1.1
196.05138	0.3
197.06079	1.1
199.04001	1.1
200.04372	0.3
201.05547	0.9
211.03979	2.0
212.04774	0.3
213.05525	2.6
214.02702	0.6
215.03532	0.3
224.17645	0.3
225.16106	7.0
227.03493	6.6
228.03929	0.4
229.05066	14.1
230.05363	1.1
239.03517	1.8
240.04198	1.0
241.05090	2.1
241.35782	0.3
243.02884	0.5
255.02977	5.8
256.03616	1.5
257.04532	7.6
258.04840	0.7
267.02939	1.2
267.06451	0.3
269.17673	0.4
271.02411	0.9
272.03067	0.3
282.15363	0.3
284.03271	3.9
285.04044	100.0
286.04379	9.2
287.05508	0.4
299.99509	0.3
300.02728	1.3
301.03506	1.2
351.79440	0.3
367.27097	2.4
381.56824	0.3
385.28223	1.1
431.22604	0.8
451.32910	10.7
452.33112	0.4
533.25684	0.9
575.13654	0.5
593.15131	39.4
593.44049	4.6
594.15436	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	593.1307
Annotation	Kaempferol-3-Glucoside-2''-p-coumaroyl
Peak:m/z	Relative Intensity
56.50320	0.3
57.03457	1.9
59.01382	3.6
61.98834	3.4
63.02404	0.9
65.00343	0.9
69.03465	0.3
69.53557	2.1
69.53962	0.7
70.76239	0.3
71.01385	3.2
72.89701	0.3
73.02955	0.9
73.27078	0.3
83.01418	1.0
83.05058	0.3
85.02975	1.2
87.00883	0.9
88.98811	0.4
89.02475	1.0
93.03470	2.6
95.01398	0.4
99.00858	0.4
99.04544	1.0
101.02451	2.1
107.01399	1.7
109.02966	2.2
111.00931	0.3
111.04527	0.6
113.02490	1.2
116.92847	0.7
117.03481	5.2
119.03501	0.4
119.05064	2.1
121.02965	1.2
122.03757	0.3
125.02467	1.1
127.04037	0.3
133.02972	5.4
134.03786	0.5
135.04556	1.2
137.02448	1.4
145.02980	12.6
146.03346	0.8
147.04602	0.5
149.02449	2.2
151.00395	4.3
151.04089	0.5
152.00992	0.4
155.03564	0.6
159.04559	0.6
161.02441	1.1
161.04590	0.6
161.06143	0.4
162.60139	0.3
163.04041	0.9
165.01941	0.9
173.04590	3.5
173.05994	0.7
175.04033	2.1
177.01888	0.7
179.03558	0.4
179.05586	0.4
183.04567	0.6
185.06122	0.7
187.04056	0.7
191.05630	6.3
192.05902	0.5
195.04431	0.3
197.06093	0.4
199.04021	2.1
200.04471	0.4
201.01950	0.7
205.05103	0.4
208.03812	0.5
209.11818	0.8
211.04007	0.7
215.03526	0.4
217.05077	1.1
223.06088	1.0
227.03505	2.1
229.05080	0.7
240.04245	0.4
241.05064	0.7
243.02902	0.9
255.02980	2.3
256.03735	1.6
257.04529	0.6
270.07889	0.7
278.29837	0.3
283.02493	0.4
283.13406	1.7
284.00800	0.3
284.03271	17.1
285.04047	100.0
286.04404	9.3
288.06433	0.5
297.04175	0.4
301.14444	0.5
307.08206	0.4
323.07843	0.3
325.14554	0.5
327.05048	0.9
387.14371	0.4
431.26538	0.9
447.09464	1.9
449.27710	1.6
484.21094	0.4
533.26141	0.6
572.22168	0.4
584.23212	0.8
585.23950	0.7
593.13049	65.9
593.32184	1.3
594.12976	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	593.1516
Annotation	Datiscin
Peak:m/z	Relative Intensity
56.48259	0.3
59.01363	0.3
63.02404	0.7
65.00330	0.8
70.20791	0.3
83.01393	0.4
91.01888	0.7
93.03471	1.6
98.19817	0.6
101.02455	0.3
107.01401	2.6
109.02950	0.9
113.02429	0.3
116.07042	0.3
125.02409	0.4
132.02179	0.9
135.00912	2.0
143.05045	1.0
145.06598	0.3
151.00407	3.4
153.01936	0.5
154.04361	0.5
157.06506	0.5
158.93860	0.3
159.04526	1.4
161.02356	0.4
161.49466	0.3
163.00421	2.6
164.01106	0.7
165.01910	0.8
167.05054	0.8
169.01520	0.4
169.06595	1.1
171.04506	1.0
173.06065	0.5
178.99858	0.6
182.03706	0.6
183.04521	0.9
185.06113	2.4
187.04060	2.9
189.05579	1.1
195.04523	0.9
196.05313	0.4
197.06076	1.5
199.03990	1.4
201.05513	0.8
206.91289	0.3
210.03238	0.3
211.04015	2.9
212.04691	0.5
213.05634	2.0
223.04175	0.5
227.03513	37.8
228.03864	2.7
229.05061	12.1
230.01866	0.4
230.05373	0.9
239.03514	1.7
240.04115	1.4
241.04991	1.8
243.02971	0.6
255.02983	64.9
256.03494	10.3
257.04520	8.5
258.04868	0.9
267.02975	1.1
283.02658	0.4
284.03262	76.8
285.04022	98.5
286.04376	9.9
327.05194	1.0
383.89108	0.4
533.25507	0.7
551.19965	0.3
593.15143	100.0
594.15497	19.2
594.23212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.3
58.00592	0.7
59.01380	25.8
59.69151	0.5
61.98825	3.3
69.03459	0.7
71.01389	22.1
72.01748	0.8
72.99309	1.3
73.02957	4.5
75.00880	0.9
81.03475	1.0
83.01391	2.9
85.02966	9.1
87.00880	2.9
88.98808	2.9
89.01907	1.2
89.02456	21.0
93.03478	4.4
95.01382	2.0
97.02968	1.1
99.00880	1.4
99.04510	2.4
101.02460	22.5
108.02244	0.8
109.02971	3.5
113.02456	11.3
117.03484	6.4
119.03522	10.5
119.05046	1.8
122.00300	0.6
123.04558	1.4
125.02476	4.2
128.61218	0.7
129.01967	0.8
131.03511	3.4
133.02989	0.9
135.04517	5.1
137.02449	2.5
143.03476	3.9
145.02974	1.7
147.04532	3.6
149.02484	1.1
149.04520	0.9
151.00414	1.4
151.04079	1.4
155.97697	0.7
157.02844	0.7
159.03111	0.8
159.04514	2.0
161.02489	6.9
161.04565	11.0
162.03044	1.2
163.00441	0.9
163.04024	2.9
165.05548	1.0
167.40965	0.8
173.04602	4.2
175.04030	2.9
177.01958	2.7
177.04204	0.7
177.05554	1.6
179.03456	1.6
179.03761	1.3
179.05629	36.4
180.05951	1.3
185.02522	0.9
187.03954	1.2
189.01949	3.2
191.03668	1.5
191.05606	8.4
193.05003	0.6
197.06042	0.9
198.58232	0.8
199.04048	1.2
201.02087	0.7
203.03502	2.0
205.01430	1.5
205.05057	1.1
207.03049	1.3
207.14064	1.0
209.04564	1.6
210.06926	0.9
214.02695	1.2
215.03322	0.8
217.05092	0.7
219.03027	1.2
221.04524	0.8
221.06659	10.4
224.08148	0.8
225.05644	1.1
229.01346	1.4
231.02962	1.5
239.07190	1.0
241.01379	3.6
242.02026	1.6
243.02940	1.8
245.01003	1.3
251.07158	1.4
253.04820	0.8
254.05743	0.8
255.03186	1.1
257.01004	1.1
265.05215	0.9
267.06699	2.5
268.07364	0.8
269.04828	0.7
269.08151	1.7
270.01645	4.0
270.07745	0.8
271.02408	8.3
279.06586	1.3
281.04523	1.5
282.05328	2.4
283.06097	10.2
284.06635	1.1
285.04147	1.5
293.04520	1.3
294.05188	1.2
295.06113	12.4
296.06741	3.8
297.04279	0.6
297.07675	18.9
298.01163	1.8
298.07907	2.1
299.02014	14.1
300.02533	2.2
301.03589	5.5
306.05521	0.9
307.06064	5.2
308.03241	0.8
308.06522	0.8
309.04053	1.4
309.07584	1.1
311.05627	14.3
313.07104	1.7
322.04654	1.3
323.05649	12.9
323.09415	1.2
324.06223	4.1
325.07224	7.4
326.07568	1.2
328.05844	2.6
335.05643	2.4
337.07205	2.8
338.07974	0.9
339.05112	9.5
341.10794	1.6
349.07062	2.2
351.05093	12.9
352.05447	2.2
353.06665	46.0
354.06967	6.2
356.05377	2.2
357.05807	1.0
363.05032	1.4
365.06680	3.7
369.06161	14.0
370.06549	1.5
371.20828	0.8
381.06122	2.0
383.07788	8.6
384.08002	1.8
391.08371	0.9
399.07306	2.6
409.09201	1.8
419.07401	0.8
431.10379	0.9
437.08801	2.8
446.08606	1.6
447.09332	4.2
455.09845	4.1
459.09317	1.0
464.13763	1.0
471.09470	4.6
472.10065	2.1
473.10934	12.5
474.11200	2.4
476.09537	0.8
489.10391	10.9
490.10605	1.5
503.12082	1.4
531.11072	0.9
531.24652	2.0
533.26038	10.0
534.26630	1.0
557.13202	4.9
558.14032	0.8
575.14111	100.0
576.14459	23.3
593.15094	56.5
594.15509	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	591.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
57.06449	0.8
58.86548	0.9
59.01390	7.6
61.98837	9.5
71.01379	3.3
71.70011	1.0
72.99331	0.8
75.95062	0.9
77.46837	0.8
78.95914	100.0
80.02688	2.4
81.03479	1.7
83.01379	1.0
83.05032	7.4
84.02186	1.9
85.02969	2.6
87.00882	1.2
89.02457	1.6
93.03461	3.8
96.96967	8.4
99.04542	1.4
101.02467	1.7
102.30431	0.7
109.02983	1.3
111.04571	2.0
113.02497	1.2
119.10619	0.7
120.44071	1.0
125.06100	1.6
134.98549	1.3
135.04507	1.1
135.08188	1.6
137.02467	1.4
148.04095	1.9
152.99612	64.0
159.53819	1.0
163.11296	5.9
165.12866	3.0
171.00682	1.1
173.04558	3.5
181.12408	1.0
191.05684	6.9
191.10753	2.0
209.11848	97.0
210.12173	6.8
227.12914	11.8
228.13226	0.9
254.08168	1.7
283.13391	1.2
284.05658	1.1
363.12155	45.5
364.12524	3.3
381.13245	13.2
447.26175	2.3
487.32700	3.1
554.76007	1.6
567.23743	1.1
591.25787	70.8
592.26294	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	591.2619
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
56.15108	1.0
61.98824	3.4
69.90554	2.0
69.90958	4.6
80.46545	0.8
91.74672	0.8
94.28632	1.0
106.60672	1.0
133.68903	0.9
151.10020	0.9
168.23643	1.0
236.73557	1.0
443.22183	2.6
445.19867	1.1
459.21713	1.7
471.26358	1.6
472.22733	1.4
473.23401	1.8
482.21124	1.2
485.20001	1.9
487.25513	2.1
497.23306	4.7
499.21365	2.4
500.22229	10.3
501.22498	1.7
515.24512	100.0
516.24786	20.9
525.97290	1.1
559.23407	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	591.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03464	3.8
58.00586	0.7
59.01383	24.7
61.98829	4.9
65.00348	0.6
68.99834	0.5
71.01390	27.2
72.99315	1.2
73.02953	10.3
75.00880	0.9
78.95899	0.9
83.01402	5.1
85.02962	14.6
87.00897	4.1
88.98835	1.1
89.02472	2.7
93.03468	2.4
95.01385	2.2
95.25484	0.6
96.96021	1.9
96.96959	0.6
97.02943	1.5
99.00898	5.0
99.04525	2.4
100.01681	1.2
101.02460	20.7
102.02784	0.8
109.02980	0.8
111.00893	0.6
111.04515	1.2
113.02471	10.3
116.92871	0.7
119.03504	0.6
124.01624	0.5
125.02455	3.1
133.79424	0.5
135.04547	2.4
137.02449	0.7
143.03479	1.7
144.66165	0.5
155.03502	0.8
159.02979	2.2
160.03804	0.9
160.37030	0.6
161.02492	1.4
161.04581	12.4
173.04520	2.6
175.11230	0.7
179.03450	1.1
191.05634	8.8
192.05931	1.3
205.03500	0.8
205.12337	1.5
207.13844	1.2
209.11772	0.7
211.86914	0.5
214.02748	1.2
223.13380	5.1
231.13924	1.1
241.01401	1.5
242.02217	3.7
243.02873	0.8
245.01039	1.4
249.14912	1.9
267.15970	1.9
270.01782	3.1
271.02399	1.2
285.04044	0.7
298.01202	1.0
299.01892	1.0
301.14792	0.5
312.02783	0.7
314.04153	0.6
352.44650	0.6
369.19220	8.3
397.09262	0.7
425.94406	0.5
428.11124	1.3
429.24893	0.6
444.10757	1.1
445.11014	1.0
500.78754	0.5
531.24414	100.0
532.24701	16.1
559.14771	0.9
591.17169	12.5
591.33728	0.9
592.17377	2.5
597.22260	0.6
600.74854	0.6
607.47577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
57.03462	1.8
58.00605	0.8
59.01380	89.0
60.01701	1.2
61.98834	4.1
65.03980	1.1
67.01910	1.3
69.03451	2.0
71.01386	35.4
71.71474	1.3
71.92291	0.7
72.01721	0.7
72.99302	1.0
73.02953	7.8
81.03470	5.1
81.84004	0.7
81.87216	0.7
83.01392	32.7
83.05034	22.2
85.02968	7.4
87.00903	2.4
89.02454	11.1
93.03469	38.5
94.03783	1.6
95.01419	3.0
96.96007	0.8
97.02940	2.2
99.00887	3.4
99.04526	3.2
101.02465	10.7
108.02225	0.9
109.02976	19.6
110.03254	1.0
111.00896	17.6
111.04533	66.2
112.04868	1.3
113.02477	6.4
118.76431	0.8
119.03519	7.0
123.04520	1.0
125.02493	1.6
127.04053	1.0
133.02962	1.2
134.06190	1.4
135.04536	2.8
137.02466	27.5
143.03520	4.2
145.02995	1.2
146.08244	2.7
151.04076	1.2
153.01979	0.8
153.05537	1.0
155.03523	100.0
156.03891	4.3
156.06676	2.2
160.04074	1.1
161.02467	2.0
161.04576	6.4
167.06004	0.7
173.04567	43.5
174.04924	2.2
175.03940	0.8
179.03615	3.4
179.05618	8.3
180.05991	0.8
191.05658	6.8
197.04572	4.6
204.11594	0.9
215.05621	9.4
219.13989	1.0
249.04271	2.2
263.12860	2.3
264.06662	2.2
270.07687	21.0
275.07770	4.5
371.20721	7.0
443.83621	0.7
459.07028	1.0
491.23120	0.9
509.23831	1.5
565.15454	0.8
569.11078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58683	0.2
58.02981	3.5
59.01381	1.3
67.01887	0.3
70.02990	1.2
71.01386	1.1
72.00915	0.6
73.02973	0.2
79.06847	0.2
83.05036	0.2
83.07279	0.2
85.02958	5.3
87.00895	1.3
91.05542	1.3
93.03474	3.3
94.98862	0.2
109.02984	0.8
111.04528	1.0
113.02466	0.3
119.05061	0.9
127.04009	1.3
135.04558	0.4
137.02498	0.4
145.02968	0.8
147.04555	6.4
148.04880	0.6
155.03540	0.4
163.04056	1.6
164.07199	17.5
165.07500	1.0
173.04576	2.1
179.03506	0.3
191.05640	100.0
192.05969	4.3
206.08241	25.1
207.08627	2.2
250.07156	0.2
337.09308	24.5
338.09607	2.7
400.87628	0.3
506.09189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.01372	3.4
59.43358	0.5
60.99308	13.2
61.98834	22.7
62.82470	0.5
71.01380	1.9
71.70161	0.7
73.02953	0.9
83.05016	0.6
85.02961	1.6
88.98819	100.0
89.02450	0.7
89.99157	1.3
93.03470	1.8
99.04530	1.9
101.02465	1.4
109.02980	1.1
113.02467	0.8
125.02426	0.8
133.02975	0.6
135.04543	2.1
161.04521	0.5
163.04068	1.5
170.49075	0.5
173.04544	4.1
178.06390	1.3
179.03531	1.6
191.05638	4.5
193.08723	2.3
256.26743	0.5
265.03210	0.7
266.64529	0.5
289.07297	0.7
294.07605	0.7
325.19144	0.5
353.08743	1.2
372.17169	0.6
387.62100	0.7
446.06110	0.5
589.23883	0.8
589.33240	1.7
590.32367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32692	0.2
59.01377	1.1
61.98833	100.0
65.29750	0.3
70.85579	0.7
71.01400	0.6
78.95925	0.8
81.72134	0.3
85.02979	0.4
89.02468	0.3
93.03500	0.6
101.02480	0.6
106.01646	0.2
109.02983	0.4
111.04564	0.4
135.04527	0.4
137.02510	0.3
152.99635	0.4
155.03564	0.3
173.04623	0.8
191.05641	1.6
209.11858	0.6
248.63509	0.3
290.03204	0.3
376.93704	0.3
554.76221	0.4
591.26001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
61.98834	100.0
63.82578	0.2
71.70187	0.3
78.95908	0.4
79.35075	0.2
88.00377	0.2
88.98825	1.5
89.43623	0.1
103.85407	0.2
135.71812	0.1
152.99628	0.3
168.57068	0.1
216.12926	0.1
240.94324	0.2
281.24805	2.8
281.27396	0.2
282.25189	1.3
283.25616	0.7
283.28751	0.2
284.25937	0.5
506.32437	1.1
507.33160	0.3
508.34015	0.3
509.33661	0.5
583.33722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46033	1.2
52.84679	1.1
61.98835	28.9
69.68913	10.1
73.43011	1.2
80.76316	1.2
83.84454	1.4
102.34264	1.0
121.39631	1.3
135.67436	1.2
197.15486	100.0
198.15825	8.3
263.16504	2.1
281.03116	1.5
335.22223	1.8
373.32083	1.4
447.13480	1.3
489.35623	2.1
521.38562	10.5
522.38348	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83255	1.0
57.02519	1.1
61.98835	100.0
64.06066	1.1
70.96642	3.6
76.00778	1.1
87.27129	1.0
210.65584	1.1
258.94550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	64.0
60.01714	1.2
64.72297	0.9
65.07436	0.9
71.01392	3.7
71.05032	2.8
71.71040	1.5
71.71401	1.2
76.97350	1.0
82.67997	0.9
83.05028	1.6
85.02984	2.1
89.02469	2.1
93.03456	7.7
93.12112	1.0
99.04534	9.8
99.08173	2.9
101.02454	1.8
103.00383	8.4
109.02958	2.2
111.04539	2.3
113.02535	1.2
115.04013	5.8
116.92883	1.4
117.05585	5.3
119.05042	2.8
125.02498	1.5
135.04553	3.0
137.02496	1.9
143.07191	3.4
147.04468	1.2
151.00352	1.1
155.03416	1.2
161.02458	1.1
161.08220	100.0
162.08566	6.7
163.04073	1.9
163.08682	2.3
173.04576	15.1
174.11310	1.1
179.03490	1.7
191.05634	17.4
192.05998	1.1
194.05933	1.1
203.09270	19.5
204.09633	2.3
222.65836	1.0
233.86841	1.0
239.63327	1.0
302.43112	0.9
311.00583	1.1
337.09302	2.2
363.16629	2.1
585.23340	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	585.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
59.01378	4.5
61.98832	2.8
69.03468	8.0
71.01394	5.1
71.59124	2.4
72.99314	4.5
74.05188	1.3
75.00884	40.8
82.02991	2.2
83.09541	1.3
85.02949	1.3
87.00908	2.8
89.02477	6.8
96.00941	2.5
98.02489	32.3
99.00911	5.0
101.02445	1.5
109.01714	1.7
112.04074	3.9
116.05080	32.5
117.02023	2.0
117.05418	2.1
119.28289	1.4
125.09727	3.3
126.01963	1.4
128.05043	1.3
130.06674	3.1
135.03020	90.2
137.02487	1.9
142.06650	26.6
143.06996	1.6
154.05345	1.7
157.07762	16.4
167.06161	2.9
169.07727	4.3
173.04619	1.9
180.06918	1.7
181.07713	9.8
181.16058	1.6
183.05658	33.2
184.00188	1.5
184.06041	2.6
186.05734	1.5
187.10016	1.4
191.05643	1.9
197.19070	1.3
199.17049	2.5
207.17485	2.3
209.19077	2.9
213.06741	10.9
215.08336	1.4
221.19115	4.9
223.08798	5.6
223.17052	3.0
223.20648	1.6
224.20273	1.6
225.06738	2.3
229.06169	4.3
238.21828	1.9
241.09824	45.8
242.10213	4.0
248.20251	8.8
263.18896	2.5
264.19672	4.2
276.19705	5.5
280.19171	10.9
292.19128	7.9
294.20825	1.4
304.19009	1.7
306.20731	7.1
308.18729	20.2
309.19196	1.8
311.08511	1.3
334.20245	3.9
379.27597	18.9
380.27921	2.8
394.22260	1.8
405.25464	76.3
406.25833	13.2
411.26370	4.3
421.25241	2.2
423.26523	100.0
424.26907	18.5
451.26077	8.5
463.25833	2.1
467.25528	66.6
468.25739	13.8
495.24866	2.6
523.28021	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70708	0.6
52.13101	0.6
53.65179	0.6
58.02975	12.0
59.01371	1.0
69.42629	7.2
70.02996	4.8
71.01361	0.7
72.00912	2.3
72.06367	0.6
82.84343	0.6
85.02944	0.6
88.82494	0.7
91.05532	3.6
93.03455	2.7
97.35332	0.7
133.02972	1.4
134.03857	0.7
135.04553	13.0
137.02432	0.8
146.20944	0.7
147.04552	18.4
148.04788	0.8
161.02475	4.1
164.07191	52.6
165.07503	2.8
167.56865	0.6
173.04576	1.5
175.16489	0.6
179.03514	10.8
191.05656	4.1
206.08237	100.0
207.08575	7.7
250.07178	0.8
335.07742	10.5
390.48737	0.7
481.41812	0.8
549.25446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68146	0.5
59.01380	57.3
60.01712	0.5
65.19398	0.4
70.72108	0.5
70.84428	1.0
71.01376	0.8
71.05035	1.7
73.34421	0.4
85.02961	0.5
85.20789	0.5
87.04527	1.2
93.03487	1.3
96.96033	2.0
96.96975	0.6
99.04532	7.9
99.08160	3.4
103.00397	6.1
103.10596	0.4
111.04561	0.4
115.04020	5.3
115.04760	0.6
115.07687	1.2
117.05622	5.0
133.03038	0.5
135.04578	2.4
143.07150	3.5
155.03558	0.5
161.02512	2.0
161.08217	100.0
162.08568	4.8
171.07478	0.4
173.04628	0.5
179.03468	2.4
192.29539	0.4
203.09267	22.0
204.09683	1.3
206.40407	0.4
247.08344	0.5
263.03146	0.4
279.61734	0.5
335.07822	1.7
340.68103	0.5
366.31821	0.5
464.21310	0.5
597.40631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80645	0.3
57.03461	0.5
58.83907	0.4
59.01377	2.3
59.86370	0.4
61.98830	2.2
65.30294	0.4
67.01888	1.3
69.03450	0.8
69.95020	1.3
69.95426	1.1
71.01381	1.7
73.02929	0.5
81.03466	0.9
83.05019	0.7
85.02963	10.8
87.00890	4.0
87.11030	0.4
93.03471	11.4
94.03834	0.5
99.04565	0.5
108.02173	0.5
109.02967	1.9
111.04517	2.7
117.03459	1.1
119.05041	1.4
121.03011	0.9
123.04549	2.4
127.04052	2.4
129.01974	0.6
132.02211	1.0
133.02985	2.9
134.03809	0.9
135.04553	4.2
137.02458	2.1
145.02985	2.6
146.03740	1.4
147.04541	8.3
148.05014	0.5
149.02454	1.0
149.06079	2.9
150.03210	2.2
151.03999	1.2
155.03500	1.6
158.03738	0.9
161.02484	3.4
161.06029	0.5
162.03130	0.9
163.04027	4.4
165.05605	2.3
169.15822	0.6
169.85931	0.4
171.02992	0.7
171.13908	3.1
173.02473	4.6
173.04573	9.0
174.03247	0.8
174.04878	0.4
175.04018	8.2
176.01201	0.5
177.01974	2.7
178.02731	0.6
179.03529	0.8
181.05043	0.6
189.01944	1.9
190.02661	1.1
191.03650	6.4
191.05626	100.0
192.05981	5.1
193.05066	11.5
194.05389	0.5
195.03004	1.2
196.03514	0.5
201.01949	7.0
205.01460	0.9
214.02730	2.1
217.01419	0.8
218.02164	0.6
219.03004	30.0
220.03395	1.3
221.04498	0.5
233.06677	1.1
237.04097	3.5
243.03229	0.5
271.17029	1.4
273.18573	1.4
275.16440	0.5
277.18063	1.5
283.16946	0.5
289.17944	2.1
291.19415	0.5
299.16595	2.2
301.18091	12.7
302.18427	1.3
303.15967	0.8
306.25711	0.4
317.17743	1.3
319.19153	11.1
320.19357	1.1
321.17099	1.3
327.16071	4.9
328.16235	0.6
345.17093	52.9
346.17453	7.0
347.18631	3.7
349.16751	0.6
363.18106	3.5
364.18512	0.7
373.16599	20.8
374.16867	3.0
391.17648	0.7
393.08264	1.5
411.09351	8.1
412.09744	0.8
429.10321	2.0
519.22186	3.3
537.23358	21.9
538.23730	4.5
555.24554	7.9
556.24976	1.8
565.22949	8.8
566.23553	2.1
583.24530	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16140	0.1
54.37609	0.1
59.01366	0.2
61.98833	100.0
62.98544	0.1
68.16071	0.1
69.91618	0.4
69.92035	0.2
78.95907	0.8
93.03477	0.2
112.22410	0.1
135.62408	0.1
152.99652	0.3
172.16084	0.1
173.04625	0.1
224.06958	0.2
279.23297	1.7
280.23666	1.0
281.23923	0.5
282.24274	0.3
427.47357	0.1
433.23849	0.1
444.20959	0.1
504.30975	1.3
505.31360	0.4
506.31558	0.3
507.31906	0.8
535.14624	0.1
581.32635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42222	0.1
55.16638	0.1
59.01372	0.3
61.98833	100.0
62.98530	0.1
64.71894	0.1
69.44637	0.8
74.02465	0.1
78.95924	0.5
98.20396	0.3
98.24255	0.1
116.92890	0.1
152.99573	0.4
161.33101	0.1
163.62814	0.1
166.16483	0.1
242.08026	0.2
254.66376	0.1
279.23328	2.2
280.23633	1.2
281.23981	0.6
282.24194	0.4
433.24219	0.1
504.30988	0.9
505.31366	0.3
506.31418	0.1
507.31857	0.6
581.32471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24892	0.2
57.03452	20.1
59.01384	32.6
61.98834	100.0
67.01918	0.3
71.01411	0.8
71.25614	0.6
73.02959	0.3
78.95908	1.6
83.01412	0.7
85.02959	0.5
93.03493	1.1
99.04536	20.7
100.04863	0.4
101.02471	4.7
113.02500	0.4
116.92865	0.6
124.80553	0.3
125.02472	7.2
126.02811	0.3
127.29646	0.3
131.54980	0.3
137.02466	0.7
143.03552	1.1
151.00456	0.4
155.03574	0.5
158.26740	0.3
161.04568	0.4
173.04555	2.1
174.04903	0.4
174.10115	0.3
183.91023	0.3
184.89359	0.3
191.05629	2.1
192.06032	0.4
210.13428	0.3
233.07964	0.3
235.67258	0.3
270.43204	0.3
375.20422	0.7
390.16486	0.4
403.22610	0.4
417.21213	1.6
418.21643	0.4
457.24576	0.6
519.24463	16.6
520.24829	3.0
564.22070	1.1
565.21844	0.3
583.29706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70957	0.5
59.01090	1.1
59.01382	21.2
60.19393	0.7
61.98819	1.3
63.41049	0.4
75.95898	0.5
78.95911	20.4
79.99454	0.5
85.51518	0.6
86.45142	0.5
88.91441	0.6
91.97607	0.5
107.76317	0.5
145.90669	0.5
152.99626	3.3
168.04347	3.1
169.95004	0.6
182.45985	0.5
196.65967	0.8
196.89522	0.9
202.40733	0.5
224.06970	9.4
242.07997	1.5
283.26434	100.0
284.26764	11.8
508.34088	77.0
509.34375	12.6
583.20172	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	583.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31566	0.3
55.01881	0.4
57.03450	0.7
59.01383	8.7
61.98839	3.3
65.03983	0.4
69.03467	0.9
71.01393	4.0
71.70191	0.4
72.99310	0.4
73.02962	1.5
78.95925	0.8
78.97193	0.3
81.03473	0.5
83.01409	1.8
85.02967	2.1
87.00902	0.6
88.98817	0.8
89.02470	2.0
93.03474	34.9
94.03812	1.5
95.01411	1.8
96.96042	1.4
97.02965	1.2
99.00908	1.0
99.04520	0.5
101.02452	3.2
107.01431	0.5
108.02204	0.8
109.02982	1.5
113.02492	2.0
115.48920	0.4
116.92878	1.0
121.02977	0.7
123.00902	9.0
123.04556	0.7
124.01688	23.3
125.02479	18.0
126.02839	0.5
127.05146	0.9
128.03603	0.3
130.08742	2.6
133.03023	0.6
134.03728	0.4
135.04543	1.7
136.01675	0.4
137.02470	47.7
138.02818	1.6
143.03465	0.4
149.02484	0.7
149.99609	33.0
151.00284	2.5
151.04027	1.3
159.04514	0.4
161.02470	0.7
161.04587	0.9
163.03957	0.5
166.99928	0.5
167.03558	1.6
168.00668	73.3
169.01357	6.7
173.04597	1.0
177.01936	0.6
179.03540	3.0
191.03496	0.6
191.05650	1.6
193.05060	0.4
194.05907	0.8
206.93150	0.4
209.04559	0.5
209.08200	1.0
227.03542	0.6
235.11842	1.9
240.13530	0.8
252.99969	0.3
258.14673	0.6
269.06699	2.1
287.07819	0.6
323.61047	0.4
331.06711	1.9
379.16559	0.5
392.04330	0.4
397.17197	2.5
401.10638	0.5
437.08578	0.8
439.18240	13.7
439.24304	0.7
440.18646	0.8
445.09897	8.5
446.10361	0.7
451.08936	1.4
463.10959	9.5
464.11429	1.0
523.34857	0.5
566.35510	0.4
582.35681	0.5
583.13110	100.0
584.13330	15.4
584.36633	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1832
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
54.81413	1.1
61.98812	1.8
71.69891	1.6
78.95911	91.0
94.47950	1.4
96.96976	4.2
97.57046	1.3
99.92591	9.9
106.04754	1.1
115.91293	2.2
115.92093	34.3
116.89622	1.3
116.92118	2.8
116.92873	29.3
117.36678	1.2
150.98033	3.1
152.99620	25.9
155.95268	1.8
158.47464	1.4
171.00656	10.4
172.95413	7.4
178.88409	2.2
179.89240	40.5
180.90059	27.4
181.90811	2.4
183.98651	1.2
194.87933	3.3
196.89505	50.6
197.89503	3.5
205.90805	3.6
206.91565	3.0
208.89427	1.4
221.90263	2.3
234.91153	2.0
235.91832	13.4
236.92621	27.2
237.92926	1.7
245.04359	1.6
252.92122	4.1
253.21703	1.5
253.92940	1.2
270.93140	2.2
276.95828	1.9
278.93741	5.8
281.24994	1.4
292.95193	3.2
308.94708	1.7
309.95428	1.7
310.96356	8.3
326.95590	1.5
353.14212	1.8
356.44171	1.5
359.36774	1.3
465.97137	1.7
468.19708	1.3
473.14087	6.9
481.25717	2.9
490.14288	4.8
533.16241	4.3
545.16211	5.0
563.17053	8.6
564.17590	1.5
581.18286	100.0
582.18622	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	581.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84220	0.7
56.62307	0.7
57.03463	2.3
59.01395	3.1
61.98831	0.8
62.87802	0.7
62.88121	0.7
67.01890	1.1
69.03465	1.9
69.54611	3.3
69.55045	3.6
71.01389	4.7
73.02948	1.9
81.03470	16.9
83.01402	14.1
85.02959	3.3
87.00912	1.0
89.02457	1.1
93.03480	4.6
95.01408	4.9
95.05047	8.3
97.02972	9.5
98.19936	1.6
99.04537	9.3
101.02462	1.6
107.05030	3.7
109.02962	5.8
109.06611	0.9
111.00909	1.1
111.04546	5.4
113.02472	5.3
117.03499	3.7
119.05062	1.5
121.02974	5.1
121.06631	2.7
122.03761	1.3
123.00898	1.7
123.04550	30.3
124.01709	1.7
124.04905	1.0
125.02473	47.2
125.06095	1.6
126.02794	2.0
127.80878	0.7
131.43808	0.8
135.04567	6.0
137.02473	14.9
137.06160	2.9
139.04021	5.9
141.80194	0.7
147.04575	2.6
149.02524	1.9
149.06113	1.9
151.00331	1.1
151.04080	8.0
153.05617	4.3
155.03557	2.7
156.35219	0.9
157.43060	0.8
161.02496	1.2
161.06096	0.8
163.00412	1.2
163.04068	3.2
164.01202	1.1
165.01942	1.8
165.05652	4.4
166.02797	1.2
167.03526	61.5
168.03911	2.4
173.04602	3.4
175.03906	0.9
177.01970	1.9
177.05632	2.1
178.02867	0.9
179.03520	14.8
181.05122	3.3
189.05458	0.8
191.03525	3.5
191.05588	4.8
193.05086	3.5
195.06705	1.4
197.04599	20.3
198.04861	1.4
207.03026	1.4
209.04575	100.0
210.04918	6.8
221.04517	5.7
233.04549	1.9
239.05618	99.4
240.05951	5.6
251.05588	5.8
263.05652	0.9
269.06656	42.0
270.07001	3.8
271.02460	3.1
277.03522	2.4
277.12564	0.8
281.06735	9.5
293.06683	1.9
299.07730	17.4
300.08173	1.9
311.07736	9.7
312.08069	1.0
323.07892	0.9
329.08829	18.1
330.09271	2.3
341.08865	4.5
359.09769	2.7
371.07736	39.9
372.07938	4.8
383.07681	2.1
401.08762	40.6
402.09158	4.5
409.43494	0.7
419.12006	10.8
420.12234	1.4
431.09827	10.6
432.10107	1.3
434.08426	1.0
437.36609	0.8
443.09711	5.7
461.10889	18.7
462.11060	1.8
473.10785	6.5
491.11948	14.0
492.12189	3.0
503.11911	2.2
521.12933	1.2
563.14374	1.7
581.15088	15.2
582.15637	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	581.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45122	0.1
59.01370	0.2
65.17036	0.2
70.04835	0.1
70.85271	0.3
85.02969	0.1
99.92601	9.3
100.92618	0.6
101.17352	0.1
108.02202	0.2
109.02991	0.2
114.93447	0.3
116.07470	0.1
116.92882	100.0
117.92892	6.7
119.76081	0.1
149.02547	0.2
172.05438	0.2
187.07713	0.3
191.05640	0.2
255.02956	0.3
258.38547	0.1
271.02524	0.7
299.02124	0.3
300.02737	1.8
301.03326	0.8
341.13885	0.2
359.15027	0.6
384.45288	0.2
463.08829	1.9
464.09189	0.2
563.01520	0.5
581.22168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54417	0.7
57.03434	1.9
57.96386	0.7
59.01378	6.8
60.99302	1.0
61.56965	0.7
61.98830	15.1
64.30511	0.7
71.01395	6.7
71.63335	1.0
72.99328	1.1
73.02946	2.4
75.00870	1.1
78.95911	2.1
79.05538	1.7
81.03469	2.0
82.88073	0.7
83.01371	1.2
84.93649	0.6
85.02941	3.8
87.00885	1.3
88.98813	5.5
89.02454	2.5
93.03471	71.6
94.03790	2.2
95.01388	1.5
97.02960	1.4
99.00888	2.4
99.04513	1.4
99.92583	0.8
100.01334	0.7
101.02457	3.1
105.03489	2.8
108.02248	0.8
109.02962	3.2
111.04555	2.2
112.35659	0.6
113.02462	3.1
116.92863	2.1
117.03495	1.0
119.05060	1.1
121.02946	1.1
122.03808	1.3
123.04539	36.5
124.04877	1.5
125.02480	1.3
127.47157	0.8
133.02972	2.2
134.03746	3.0
135.04552	10.9
137.02467	100.0
138.02817	3.6
145.02980	1.8
147.04556	1.0
149.02470	6.9
151.00447	1.6
151.02844	1.4
151.04039	1.3
152.01152	0.8
160.01697	1.3
160.04121	0.8
161.02426	4.4
161.04561	1.4
163.04105	1.5
165.05559	1.2
166.05122	2.2
167.03525	4.7
173.04604	6.6
175.04071	2.0
177.02013	0.7
177.05540	0.7
178.02507	0.7
178.99847	1.7
179.03519	7.4
191.05646	9.9
193.05118	2.3
194.05824	0.8
201.05574	0.9
209.67172	0.7
211.13446	0.9
219.00777	0.6
219.49712	0.7
232.07533	1.1
241.01546	1.2
253.05005	1.4
258.01755	1.8
268.07346	1.1
272.09192	3.5
273.09659	2.2
281.06888	1.3
283.13760	0.8
285.00394	5.2
296.09381	1.3
298.01157	0.8
311.11737	4.7
326.14008	3.8
335.07547	4.5
345.03940	1.5
378.03589	0.9
389.16241	1.2
406.03296	1.1
407.17282	0.8
419.17169	3.5
434.02789	6.1
435.03479	7.1
436.04221	1.0
443.11887	6.3
444.12769	1.1
448.12445	1.8
461.13010	8.1
521.33374	3.4
537.17633	2.5
543.15417	1.1
549.20660	1.0
563.21930	0.9
580.34283	1.6
581.15546	79.9
582.15814	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	579.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75668	0.6
52.42778	0.5
57.03449	8.4
61.98829	1.0
65.82802	0.5
68.01414	1.0
71.27029	1.2
75.32879	0.5
78.95917	2.1
92.05073	2.2
94.03010	0.6
94.06627	0.8
112.70985	0.5
116.05090	3.3
117.04596	1.2
124.98862	0.6
130.06642	1.1
131.03767	3.0
131.41403	0.5
132.04575	5.1
142.06622	0.6
144.04576	50.0
144.08208	1.7
145.03993	4.8
145.04982	1.6
146.06129	1.1
151.11319	0.7
153.12880	8.8
157.07732	0.8
158.06137	5.3
166.06659	0.6
167.06169	10.6
169.16000	16.5
170.06050	0.6
170.16469	0.8
171.13901	1.9
172.07678	2.1
172.14247	0.6
179.14479	0.6
183.05630	6.8
183.07123	0.7
183.09189	2.5
184.04092	1.3
185.07243	0.9
185.10855	2.0
190.65689	0.5
191.06122	0.9
193.07744	0.7
194.15543	4.7
195.13872	1.2
195.15874	0.5
195.17551	2.7
196.17087	73.0
197.15443	2.0
197.17422	5.1
199.08797	1.0
201.10324	1.9
206.15553	1.2
220.06380	0.9
220.17055	2.1
222.18646	4.4
223.18874	0.6
224.16748	0.6
227.11942	0.6
248.20123	1.1
251.11780	0.5
298.21814	1.9
307.30139	3.2
308.16501	0.9
308.30576	0.5
311.18723	0.9
312.19601	1.8
323.29825	0.6
326.21408	1.2
328.34995	0.6
336.19775	0.6
337.19226	4.4
337.22931	1.5
338.21240	1.7
347.21341	2.0
349.31100	0.7
353.22406	1.1
353.40027	0.5
355.23978	2.7
358.31122	1.6
359.29102	0.6
365.22293	1.5
376.06812	0.6
376.32169	4.6
381.25409	4.6
402.33716	0.8
507.35837	3.5
508.35455	0.8
517.38086	2.5
535.39050	24.0
536.39410	5.3
579.38098	100.0
580.38440	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	580.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.5
60.01701	0.2
61.98833	2.0
63.99261	0.2
70.86149	0.2
78.95912	5.3
80.96537	0.1
91.11073	0.1
94.92347	0.1
96.97002	0.2
98.20289	0.2
116.92856	0.1
139.16360	0.1
152.99609	1.2
168.04358	1.4
224.06990	0.9
232.15079	0.1
242.08000	2.2
264.27573	0.2
273.16617	0.1
281.24850	100.0
282.25195	12.1
345.42596	0.1
348.73679	0.1
506.32498	37.2
507.32858	6.8
521.28796	0.2
581.18207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92498	0.3
57.90152	0.3
59.01382	19.4
59.38995	0.2
61.98825	1.1
71.39712	0.5
76.79719	0.2
78.95913	20.3
80.96530	0.3
92.33465	0.3
93.21165	0.3
96.97018	0.6
102.30165	0.3
115.92102	0.4
116.92872	0.7
120.84319	0.3
122.98540	0.5
141.86732	0.2
152.99638	3.4
168.04343	3.6
179.89240	0.6
180.90002	0.3
191.05614	0.3
196.89517	0.7
224.04808	0.5
224.06940	8.5
242.08023	1.9
263.73584	0.3
281.24860	100.0
282.25214	12.7
282.28372	0.6
283.25018	0.2
357.08163	0.3
402.63281	0.3
506.32510	75.5
507.32840	13.5
581.18182	1.4
581.27032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69295	0.1
51.96152	0.1
54.51183	0.1
59.01380	0.3
61.75170	0.1
61.98834	100.0
62.98514	0.2
64.45941	0.1
71.41136	0.2
71.50939	0.1
72.31549	0.1
78.95926	0.5
80.30803	0.1
98.25465	0.1
135.80237	0.1
152.99617	0.4
173.04573	0.2
191.05681	0.2
201.94183	0.1
202.69249	0.1
277.21729	1.7
278.22064	0.9
278.24353	0.1
279.22369	0.6
280.22635	0.4
299.37476	0.1
387.21201	0.2
431.22171	0.2
457.24606	0.1
502.29364	0.7
503.29916	0.2
504.29993	0.2
505.30118	0.6
535.71594	0.1
579.30493	0.3
583.38245	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85404	0.1
59.01378	0.4
61.98831	100.0
62.98541	0.2
66.55009	0.1
69.45921	0.4
69.46350	0.7
73.85175	0.1
78.95915	1.0
93.03486	0.4
99.87166	0.1
109.02933	0.2
112.84135	0.1
137.02455	0.2
151.71130	0.1
152.99635	0.5
155.03470	0.1
168.04292	0.1
168.89803	0.1
173.04568	0.7
191.05666	0.5
207.10817	0.1
224.07016	0.2
267.06882	0.1
277.21689	1.3
278.22040	0.7
279.22507	0.4
280.22827	0.1
294.07831	0.1
365.26788	0.2
405.19357	0.1
428.15228	0.2
462.56918	0.1
502.29330	1.1
503.29611	0.3
504.30127	0.3
505.30197	1.0
555.87054	0.1
579.13300	0.1
579.31329	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1362
Annotation	Carlinoside
Peak:m/z	Relative Intensity
57.03448	0.8
59.01378	2.1
60.10469	0.5
71.01382	2.2
71.70728	1.0
73.02927	0.5
83.01460	0.5
85.02960	1.7
87.00900	0.6
89.02477	0.9
93.03460	1.9
99.04546	0.7
101.02450	1.5
107.01434	0.8
109.02964	3.1
111.00913	0.7
122.66047	0.6
123.04524	0.7
125.02454	1.2
133.02969	10.2
134.03668	0.5
135.04568	3.0
137.02458	0.8
139.04042	0.6
149.02449	1.0
151.03996	1.2
155.03456	0.5
159.04434	0.6
160.32863	0.5
161.02443	0.9
163.04030	1.6
173.04549	1.9
175.04066	3.0
176.04424	0.7
177.01952	2.3
177.05612	1.2
179.03525	1.7
187.48323	0.7
191.03535	1.4
191.05627	5.9
199.04073	0.6
201.01953	1.3
203.03517	2.3
205.05031	0.7
213.05444	0.7
217.05095	1.4
227.03520	0.7
231.02963	0.7
233.04584	1.2
235.02686	0.7
239.07143	1.1
241.05045	1.1
243.03049	0.7
245.04559	0.7
255.06686	0.7
257.04584	0.9
269.04581	0.7
269.08380	0.5
271.02725	0.9
283.06119	1.5
285.04056	1.0
294.05161	0.5
297.03918	2.6
298.04718	8.4
299.05594	4.4
300.57846	0.5
304.87448	0.5
309.04166	1.0
310.04764	1.0
311.05667	8.2
312.06326	8.8
313.03656	1.0
313.07120	8.3
314.07483	0.8
323.05661	2.1
325.07297	1.5
327.05176	5.5
328.05588	0.6
337.03711	0.7
339.05090	12.3
339.08948	1.0
340.05457	1.9
341.06744	5.9
342.07248	0.7
344.05490	0.9
351.05038	1.3
353.06528	4.0
357.06165	2.1
367.04599	0.8
369.06168	41.0
370.06534	5.5
371.07449	0.7
379.16248	0.9
381.06128	6.3
382.06680	1.2
383.07581	1.1
395.07516	0.6
399.07233	35.7
400.07516	5.0
405.06042	0.7
411.07224	4.6
412.07843	0.8
413.08658	0.8
423.07230	1.9
429.08316	6.9
430.08527	1.4
441.08316	5.0
442.08643	0.9
459.09326	26.4
460.09686	3.4
471.09433	1.9
489.10410	15.0
490.10718	3.4
519.11432	2.5
519.20129	0.9
561.12518	2.5
579.13611	100.0
580.13922	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	578.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73297	0.2
59.01380	21.4
60.01715	0.4
60.61397	0.2
61.98835	3.4
68.12604	0.2
69.41975	2.3
69.99478	0.2
78.95910	21.5
80.96497	0.4
90.71115	0.2
96.96979	0.3
98.19899	0.4
122.98531	0.3
152.99593	3.6
158.23349	0.2
168.04337	3.5
173.04543	0.6
177.73183	0.2
191.05594	0.5
192.05969	0.2
194.05991	0.2
197.95465	0.2
224.06927	10.3
242.08022	2.1
243.08163	0.2
261.22250	0.6
279.23279	100.0
280.23636	10.9
405.13760	0.2
504.30927	77.0
505.31274	14.3
578.27112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59307	0.1
52.62884	0.1
55.58346	0.1
59.01384	15.7
60.01708	0.2
61.98838	0.7
66.45084	0.1
67.19978	0.1
71.29786	0.1
71.41553	0.2
78.95918	5.6
80.96545	0.2
96.96995	0.2
109.68739	0.1
115.91641	0.1
133.89430	0.1
152.99620	1.0
168.04340	1.7
184.59558	0.1
221.81921	0.1
224.06924	1.2
235.84370	0.1
242.07990	2.9
261.22247	0.4
262.22473	0.1
279.23303	100.0
280.23645	10.8
436.27145	0.1
446.63229	0.1
504.30957	36.6
505.31265	6.3
524.44708	0.2
578.27496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12747	0.8
55.30856	0.7
58.80413	0.7
59.01389	2.2
61.98821	2.9
67.24744	0.8
68.08925	0.8
71.01403	0.9
78.95923	1.5
83.05019	0.9
85.02976	5.7
87.00890	1.7
91.31946	0.9
93.03468	6.0
110.08216	1.0
110.77910	0.9
111.04543	2.7
123.04445	1.0
125.02452	0.9
127.04047	1.9
131.05040	2.8
133.03029	0.9
134.03741	1.2
135.04515	1.1
137.02420	2.2
147.04514	1.7
155.03531	2.2
158.03770	1.7
158.23599	0.9
159.04539	25.3
160.05077	1.1
161.02461	16.0
162.03235	4.8
169.15944	1.6
172.05301	1.9
173.03041	1.2
173.04555	12.2
173.05975	1.3
174.03281	5.6
175.04019	10.4
176.04811	32.1
177.05585	10.7
180.28738	0.9
180.30328	0.8
185.06158	0.9
189.01930	1.3
191.05630	43.4
192.05983	1.4
199.04062	1.0
199.17043	11.2
200.17493	0.9
202.02739	2.9
203.03513	7.6
204.04260	1.4
213.05620	2.4
221.04649	1.3
254.92790	0.9
255.10530	0.9
311.39301	0.8
313.21799	4.2
315.19589	1.7
323.20135	2.1
331.22769	2.7
341.21234	66.5
341.76526	0.7
342.21640	8.4
343.19098	3.0
344.19324	1.0
357.20758	6.4
359.22287	35.7
360.22580	5.3
385.20221	100.0
386.20566	15.8
403.21310	16.7
404.21469	3.0
559.25562	4.7
560.25659	1.7
577.26898	5.0
578.27386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	29.3
58.03794	0.6
58.65311	0.3
59.01383	34.4
60.01723	0.4
61.98835	100.0
71.01389	7.3
71.01760	0.5
72.99345	0.4
73.02955	2.5
81.03481	0.8
83.01412	1.1
83.05005	0.4
85.02964	2.2
87.00896	0.7
88.98857	0.5
89.02457	3.2
91.11797	0.3
93.03493	0.9
95.01429	0.4
97.02942	0.3
99.00912	0.5
99.04538	35.5
100.04904	0.9
101.02463	10.7
113.02473	2.8
114.02824	0.4
116.92879	0.4
119.03529	1.7
120.04584	0.8
121.02989	0.6
123.04449	0.3
125.02472	14.5
126.02797	0.6
133.02989	0.4
135.04568	0.6
137.02527	0.4
143.03543	2.0
148.04041	0.6
149.04726	0.7
150.63806	0.3
151.00404	0.4
154.72411	0.3
155.03467	0.4
161.04565	2.0
166.19409	0.3
173.04561	1.4
175.03986	0.3
179.03458	0.4
179.05701	0.8
188.00989	0.3
191.05630	2.1
191.11133	0.3
192.06065	0.3
203.05716	0.5
211.04128	0.7
212.04335	0.4
239.03642	0.5
240.03925	0.3
254.08218	8.8
255.08612	0.8
268.03772	0.4
269.04639	1.1
270.04922	1.1
301.03583	0.4
371.20651	3.6
413.21878	5.5
414.22507	0.8
435.22745	0.4
453.25244	1.0
471.26062	0.4
515.24988	20.4
516.25372	3.8
560.15161	0.7
578.16180	2.5
579.32758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01373	1.9
60.99284	0.4
61.98837	0.8
67.01900	0.5
71.01390	1.6
71.69810	0.6
73.02957	0.7
79.01926	0.4
81.03479	0.5
83.01405	0.5
85.02955	1.2
87.00902	0.4
88.98802	0.4
89.02452	0.9
92.20755	0.5
93.03471	3.1
101.02459	1.3
102.98615	2.5
109.02969	1.1
111.04549	0.4
113.02519	0.5
117.03485	3.6
119.05001	0.5
121.02910	0.5
123.04572	0.7
125.02460	1.8
134.02486	1.3
135.04541	3.8
137.02457	1.0
145.03014	0.5
147.04536	0.8
149.02457	0.7
159.04486	1.0
161.02484	3.0
161.04555	0.4
161.06059	0.6
163.03995	1.3
163.81149	0.4
171.04477	0.4
173.04623	3.4
173.05995	0.7
175.04012	1.6
177.01990	0.8
177.05569	1.3
177.84822	0.4
179.03487	1.5
179.05659	0.6
189.02008	0.7
191.03615	1.3
191.05627	6.3
192.05823	0.4
203.03526	1.1
205.05072	0.8
208.26961	0.4
233.04628	0.8
235.49042	0.4
245.04459	0.7
251.07114	0.7
255.03001	0.6
267.06677	0.8
268.07245	1.1
269.04575	0.6
271.02505	0.6
272.09033	1.0
281.04471	0.8
282.05228	1.8
283.02802	0.8
283.06110	3.1
285.04086	1.0
289.07281	0.5
293.04636	0.7
295.06058	4.0
296.06845	2.4
297.07687	17.6
298.08047	1.8
299.02002	0.5
299.05600	0.5
300.02612	0.5
301.03397	0.6
307.05997	1.9
309.07669	2.2
311.05542	3.7
321.03961	0.4
322.04898	0.5
323.05634	3.7
324.06299	1.1
325.07172	8.1
326.07690	0.6
328.05942	2.0
335.05719	0.8
337.07166	2.2
341.06638	0.9
351.05237	0.9
353.06659	35.0
354.06998	4.4
355.08322	0.9
356.05283	0.8
365.06625	4.4
366.07050	0.7
367.08606	0.4
383.07736	18.7
384.08121	2.9
395.07788	2.8
396.08063	0.5
407.07523	0.8
413.08820	2.0
423.07065	0.8
425.08670	0.9
431.09857	0.9
434.14697	0.4
439.10474	0.8
457.11389	12.1
458.11746	2.2
463.08521	0.6
469.11002	0.5
473.10864	0.9
487.12598	4.9
488.12268	0.8
559.14368	0.9
577.15686	100.0
578.15997	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1571
Annotation	Swertisin 2''-O-xyloside
Peak:m/z	Relative Intensity
57.03428	0.5
57.12776	0.3
59.01376	1.6
69.82071	2.2
71.01379	1.1
74.70892	0.3
79.01908	0.3
83.01373	0.9
85.02940	1.0
91.05533	0.4
93.03468	2.8
94.83345	0.3
98.19917	0.4
99.04582	0.6
101.02436	0.8
101.43250	0.3
105.03417	0.4
109.02984	0.4
111.04514	0.4
113.81518	0.3
117.03484	3.3
119.05046	1.1
121.02956	0.4
123.04523	0.5
125.02469	2.4
131.05052	0.6
133.02979	0.5
135.04547	2.5
137.02458	0.8
145.02986	0.9
147.04539	0.9
149.02460	1.1
150.03180	0.4
151.03934	0.6
159.04512	0.8
161.02441	2.6
161.06053	0.3
163.04045	1.8
173.02478	0.5
173.03159	0.3
173.04576	2.7
173.05925	0.6
175.03989	1.1
177.01962	0.8
177.05614	0.9
179.03513	1.0
187.03955	0.4
189.01988	0.6
189.05634	0.4
191.03571	1.4
191.05621	6.5
192.06041	0.4
203.03514	1.3
205.05042	0.4
221.04352	0.5
221.93523	0.3
223.07549	0.4
225.05499	0.4
231.02788	0.5
233.04588	0.7
238.06303	0.4
245.04498	0.3
251.07146	0.8
267.06662	1.6
268.07346	1.0
279.06601	0.8
280.07294	0.7
281.04675	0.6
281.08185	3.7
282.05392	2.0
282.08118	0.5
283.06247	2.4
289.07181	1.0
291.06702	0.4
293.08224	0.6
295.06061	4.3
296.06912	2.4
297.07700	14.3
298.07928	2.0
299.02145	0.6
300.02783	0.7
301.03482	0.4
307.06137	2.1
309.07645	2.9
310.07965	0.5
311.05551	2.6
321.07816	0.9
323.05579	2.5
324.06387	1.3
325.07162	7.2
326.07523	0.8
328.05948	2.1
335.05609	1.3
337.07178	9.6
338.07504	0.8
341.06635	0.4
349.07095	0.9
353.06659	30.6
354.06995	4.2
355.08005	0.7
356.05289	0.8
356.09277	0.4
365.06744	4.5
366.06873	0.3
367.08237	4.5
368.08939	0.4
371.11313	0.4
378.07077	0.4
379.08215	0.5
383.07730	20.4
384.08194	2.7
395.07800	2.8
397.09601	0.8
409.09512	0.4
413.08929	2.0
439.10242	1.8
457.11456	7.5
458.11459	0.9
473.10953	5.0
474.11047	0.5
487.12482	1.0
503.11865	1.5
503.60284	0.5
513.10345	0.3
559.14557	0.9
577.15674	100.0
578.16034	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	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41268	0.1
57.03450	0.3
59.01393	0.9
61.98828	1.6
65.03970	0.6
69.03500	0.1
71.01401	0.7
72.99314	0.2
73.02959	0.2
75.00866	0.1
75.26813	0.1
77.01179	0.1
78.95930	0.1
84.91148	0.1
85.02967	0.4
87.00887	0.2
89.02436	0.3
93.03472	44.6
94.03809	1.8
99.00899	0.2
99.04500	0.3
101.02468	0.4
106.63635	0.1
109.02982	1.9
113.02457	0.5
115.20602	0.1
116.92820	0.2
117.03519	0.2
119.05053	6.3
120.05366	0.5
125.02460	0.3
134.02509	0.6
135.04530	0.2
137.02469	100.0
138.02805	4.1
144.04567	0.3
145.02992	0.4
151.00385	0.1
160.04086	0.4
161.02425	0.2
163.04045	2.8
164.04330	0.2
173.04565	0.7
177.02014	0.1
179.03606	0.2
191.05588	0.9
192.05956	0.1
203.67390	0.1
242.02190	0.3
252.06647	3.1
253.06987	3.6
268.06012	0.2
270.01645	0.5
270.07730	2.0
294.02661	0.1
307.08350	0.3
353.50778	0.2
433.24411	0.3
439.12469	1.6
440.13004	0.2
457.13409	0.4
533.30310	0.1
552.41559	0.2
577.15747	13.3
577.31921	0.8
578.16125	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	577.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.7
59.01382	1.3
61.38177	0.6
64.14705	0.5
65.00335	0.5
65.03966	0.7
67.01892	1.0
71.01383	1.0
71.29930	1.4
81.03458	2.6
83.01395	5.5
83.05061	0.6
85.02975	1.3
93.03468	3.9
95.01421	0.7
95.05030	2.2
97.02979	3.8
99.04499	0.6
107.05070	1.4
108.02171	3.1
109.02969	19.1
111.04483	0.8
117.03477	0.7
119.05028	0.7
121.02965	3.5
121.06536	0.5
122.03761	1.1
123.04541	13.3
124.04807	0.7
125.02466	100.0
126.02809	4.2
133.02962	3.5
135.04547	3.7
137.02470	18.8
138.02933	0.8
139.04008	3.6
145.02988	1.3
146.03737	1.0
147.04500	1.0
149.02454	5.6
150.03265	0.9
151.04022	14.7
152.01140	1.0
152.04398	0.9
153.01807	0.9
159.04532	3.8
160.01703	0.8
160.05325	0.7
161.02467	27.0
161.06117	4.1
161.08211	0.6
162.03003	2.0
163.00432	1.9
163.04033	2.5
164.01122	4.7
165.01979	4.8
167.03513	1.9
173.04561	5.6
173.05974	1.5
174.03218	1.0
175.04030	11.7
175.07669	1.8
177.01953	6.3
177.05617	1.2
178.02649	0.8
179.03522	5.5
185.06071	1.5
187.04004	6.7
188.04808	2.9
189.05608	0.9
190.02734	0.7
191.03870	0.7
191.05629	12.1
192.05988	0.8
195.06625	0.7
195.42665	0.6
197.06181	0.8
199.04063	1.4
199.07722	0.8
201.05634	2.0
202.06401	2.1
203.03462	1.8
203.07158	8.3
204.07411	0.8
205.01518	2.8
205.05063	6.0
211.04106	1.0
213.05598	1.2
214.02831	0.7
215.03526	1.3
217.05168	2.0
217.20879	0.6
219.02971	1.4
221.08206	1.9
227.03589	1.1
227.07137	1.6
228.04376	1.3
229.01448	4.4
229.05103	2.7
231.06583	0.7
237.05606	0.7
241.05025	0.8
243.03008	3.6
243.06702	1.0
245.04536	5.4
245.08177	12.4
246.08507	0.8
247.06233	0.9
253.04825	0.7
255.02988	7.8
256.03708	4.0
257.04523	2.3
259.06076	0.6
269.04538	2.5
271.06082	1.3
273.04034	4.3
281.04526	4.1
283.02484	1.6
285.04114	2.0
287.05624	9.1
288.06009	0.8
289.07175	62.8
290.07449	5.7
297.04034	1.7
297.07556	0.9
299.05603	5.4
300.06140	0.7
329.06674	1.3
339.08850	2.7
340.09061	0.7
381.09995	2.2
384.36884	0.6
385.05798	1.4
407.07715	52.9
408.08081	7.2
425.08829	23.5
426.09164	4.1
451.10382	13.7
452.10806	3.4
559.12756	1.2
577.12976	9.1
578.13818	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	577.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	13.2
57.59013	0.5
59.01384	0.6
59.27559	0.5
59.65648	0.5
69.03449	0.6
71.01401	0.7
71.19816	1.1
74.99136	0.5
81.03481	2.2
83.01392	4.0
83.05016	0.5
85.02956	0.5
93.03477	1.9
95.01399	1.0
95.05050	2.6
97.02971	3.6
105.03504	1.0
107.05051	1.5
108.02181	1.9
109.02223	1.1
109.02973	21.2
117.03460	0.5
121.02980	4.1
122.03777	1.2
123.00935	0.6
123.04556	13.9
124.04820	0.7
125.02470	100.0
126.02790	4.5
130.82249	0.5
133.02986	4.4
135.04561	1.9
137.02472	18.3
138.02864	0.5
139.04015	3.6
143.05075	0.6
145.02945	1.2
146.03761	1.7
147.04535	0.7
149.02464	5.2
149.06027	0.6
150.03197	1.7
150.09909	0.5
151.04039	12.5
152.01180	0.9
158.03795	0.5
159.04578	2.3
160.05347	1.1
161.02472	27.7
161.06084	5.0
162.03073	2.9
163.00375	1.7
163.04018	3.7
164.01173	4.5
165.01967	6.3
167.03580	1.3
168.99200	0.6
173.04504	0.9
173.06049	0.9
174.03267	1.3
175.04025	10.9
175.07640	1.3
176.01176	0.9
177.01930	5.8
177.05586	1.2
177.43236	0.6
178.02687	0.9
179.03496	4.9
180.03909	0.6
185.06087	1.4
187.04045	8.1
188.04839	3.1
189.05574	0.7
191.03664	0.8
191.05667	2.2
193.04926	0.6
199.07756	0.7
201.05614	1.8
202.06384	1.6
203.03529	1.9
203.07159	10.7
204.07579	0.6
205.01503	2.6
205.05042	7.6
206.05501	0.6
211.03983	1.6
213.05495	1.4
214.02843	0.8
215.03487	2.1
217.05101	2.3
221.08228	2.0
225.05717	0.7
227.03569	1.9
227.07149	2.4
228.04289	1.1
229.05058	2.9
230.05719	1.0
231.02936	1.3
241.05092	0.9
243.02934	3.0
243.06624	0.9
244.03683	0.6
245.04561	6.3
245.08202	14.1
246.08466	0.6
247.06128	1.3
253.04941	1.1
255.03004	9.1
255.05930	0.7
255.06516	0.5
256.03711	6.2
257.04495	2.3
269.04611	1.7
271.06134	0.9
273.04053	4.3
281.04623	3.8
282.01697	0.7
283.02545	1.8
285.04184	2.9
286.04459	0.6
287.05594	9.4
288.02985	0.6
288.06055	0.9
289.07196	63.4
290.07477	7.1
297.04175	1.0
297.07837	0.9
299.05640	5.4
300.05966	0.9
325.28677	0.6
329.06732	1.6
339.08783	4.0
381.09747	2.2
389.06537	0.9
407.07724	58.5
408.08124	9.2
425.03049	1.2
425.08804	25.7
426.09082	4.0
451.10413	12.7
452.10904	2.3
467.10321	0.6
559.12952	1.7
577.13196	7.6
578.14258	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	576.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
61.98837	38.2
67.01883	0.3
70.68220	0.6
70.68591	0.7
71.01398	0.4
78.95914	9.4
80.96548	0.5
85.02971	0.8
87.00896	1.1
93.03474	4.4
96.96970	0.3
99.92585	0.3
111.04557	0.7
115.25328	0.3
121.02985	1.7
122.00173	0.5
122.03321	0.9
122.99944	0.3
133.01401	0.3
138.01097	0.3
140.01208	2.0
152.99594	2.0
153.35475	0.3
173.04585	2.9
178.99930	0.3
179.89236	0.7
191.03571	1.3
191.05637	6.6
192.03848	0.5
196.03780	1.5
196.89540	1.3
214.04884	3.0
217.73947	0.4
233.06735	0.4
261.18668	0.3
266.56161	0.3
277.21664	0.6
278.22147	0.4
279.23145	0.7
303.26913	0.3
320.71747	0.3
341.21292	1.6
343.18970	1.6
346.75018	0.3
347.25909	8.9
347.30060	0.6
348.26108	1.6
349.27509	0.6
379.28561	100.0
380.28906	15.7
380.33893	0.7
403.21252	0.5
476.27560	0.6
523.41180	0.4
540.18121	0.5
576.20044	0.7
576.33160	14.4
577.26447	5.9
577.33984	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	577.1357
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
50.72422	1.0
57.03449	13.2
70.99496	2.0
79.35144	1.0
81.03479	2.8
83.01402	2.9
93.03477	2.6
95.05058	2.0
97.02959	3.6
106.98080	0.9
107.05073	1.2
109.02973	19.1
118.94209	1.0
121.02963	2.8
122.03724	1.3
123.04543	14.0
125.02466	100.0
126.02808	4.3
133.02969	4.3
134.03804	2.2
135.04509	2.8
137.02475	19.1
139.04034	2.7
149.02463	6.3
149.06012	1.1
151.04041	11.8
159.04520	3.4
160.05309	1.3
161.02466	27.1
161.06114	4.0
162.03156	2.3
163.00429	2.1
163.04056	4.1
164.01132	3.4
165.01991	5.2
167.03535	1.3
173.04619	1.6
173.06039	1.2
175.03999	10.2
175.07654	1.5
177.02008	4.5
178.02713	1.5
179.03571	4.8
185.06171	1.2
187.03999	7.9
188.04771	3.2
191.05670	3.0
193.05072	5.6
201.05577	2.4
202.06416	2.0
203.03485	1.9
203.07167	10.1
205.01462	3.5
205.05083	8.7
212.64879	1.0
213.05505	1.7
217.05063	1.8
217.08769	1.2
225.05641	1.5
227.03448	2.1
227.07144	1.8
228.04198	1.3
229.05011	3.1
243.02998	3.8
244.03674	1.4
245.04521	6.5
245.08215	15.6
246.08456	1.8
247.06041	1.5
255.02986	9.2
256.03659	3.9
257.04416	3.0
269.04608	1.7
270.04886	1.0
273.04095	3.4
281.04559	4.2
283.02545	2.0
285.04065	2.8
287.05618	10.6
288.05966	1.5
289.07184	66.9
290.07474	7.9
299.05527	6.2
314.33780	1.0
329.06531	1.3
339.08511	4.6
355.10391	2.1
357.37442	1.1
362.35706	1.0
381.09875	3.8
407.07712	56.9
408.08212	8.5
425.08820	26.6
426.09174	3.4
451.10364	14.6
452.10687	3.1
559.12817	1.9
577.13348	10.8
578.13910	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	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.9
60.01715	0.3
61.92039	0.2
61.92455	0.2
61.98841	0.3
71.01385	0.3
71.09944	0.3
78.95910	29.3
80.48723	0.2
83.05029	0.3
85.02965	0.3
93.03481	0.8
96.96988	0.6
109.02985	0.4
122.98532	0.6
127.07716	0.4
134.98535	0.3
137.02524	0.2
152.99605	4.1
159.04599	0.3
164.38232	0.2
168.04323	4.5
173.04549	1.5
175.04042	0.3
182.88628	0.2
191.05586	1.7
203.03352	0.3
221.04616	0.2
224.06937	11.1
225.07301	0.5
233.22755	0.7
242.07948	2.8
259.20615	0.7
275.20236	0.7
277.21716	100.0
278.22067	11.9
311.16479	0.3
313.21664	0.4
331.22815	0.5
357.20837	0.4
359.22153	0.3
375.22028	0.3
385.20123	0.3
403.21164	1.3
405.38470	0.2
413.21106	0.4
502.29382	90.3
503.29736	16.5
503.37531	0.2
517.26270	0.3
577.26733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.5
60.01722	0.2
61.98816	0.2
69.78256	1.0
71.01398	0.3
72.91579	0.1
78.95908	7.0
83.05067	0.2
85.02961	0.1
93.03477	0.7
96.96975	0.2
104.08164	0.1
116.76722	0.1
118.21271	0.1
137.02504	0.3
142.66519	0.1
148.26295	0.1
152.99608	1.6
159.04532	0.8
161.02481	0.5
168.04344	1.9
171.00600	0.2
173.04550	1.5
174.03224	0.1
175.04031	0.4
176.04747	0.6
177.05566	0.3
191.05623	1.7
199.17166	0.2
202.02563	0.1
203.03470	0.3
224.06941	1.2
233.22748	0.5
242.07994	3.1
243.08455	0.2
259.20715	0.4
275.20135	0.4
277.21725	100.0
278.22064	11.9
306.57828	0.1
313.21564	0.2
341.21228	2.0
357.20435	0.2
359.22418	1.0
385.20218	2.7
403.21265	0.5
463.01288	0.1
502.29373	39.5
503.29697	7.6
517.65558	0.1
577.26526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03008	0.1
56.10432	0.1
57.27857	0.1
58.30359	0.1
59.01368	0.3
61.98833	100.0
69.52643	1.1
85.02990	0.2
86.90742	0.1
91.21946	0.1
92.22504	0.1
93.06487	0.1
113.94055	0.1
128.30983	0.1
145.15070	0.1
173.04675	0.2
187.91237	0.1
191.05684	0.7
253.48442	0.1
277.21820	0.5
278.22058	0.7
279.22473	0.4
280.22754	0.2
341.21454	0.3
343.19144	0.1
385.20306	0.3
403.21542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66003	0.1
59.01379	0.8
61.98835	100.0
63.02393	0.2
65.00328	0.2
65.60368	0.1
67.01881	0.2
71.01395	0.5
71.03390	0.2
72.79754	0.1
78.95915	0.7
83.01395	0.3
85.02995	0.2
89.02460	0.3
89.97243	0.1
93.03473	0.8
98.72461	0.1
101.02454	0.2
107.01442	0.6
113.02488	0.2
115.92165	0.1
117.36530	0.1
120.71848	0.1
124.01677	0.2
125.02485	0.7
137.02576	0.2
146.03795	0.2
151.00404	1.9
152.01125	0.3
153.01949	0.1
169.01489	0.4
173.04599	2.8
173.06012	0.3
174.03227	0.2
178.99902	2.3
191.05687	0.5
196.89629	0.1
197.06137	0.1
197.15527	0.2
200.04727	0.2
201.05652	0.2
204.22940	0.1
222.19769	0.1
241.80057	0.1
246.07281	0.4
253.09428	0.2
255.07721	0.6
255.58145	0.2
271.02847	0.1
277.21796	2.2
278.22079	0.9
279.22424	0.3
299.02139	0.5
300.02890	0.2
313.14545	0.3
319.10193	0.6
328.10602	4.6
328.60840	1.0
329.11084	0.2
330.14487	0.2
341.21484	0.2
343.19330	0.4
379.28970	0.2
383.11438	0.3
403.21454	0.4
446.15060	3.2
446.65244	1.3
447.15320	0.2
576.26880	0.3
576.76410	0.3
577.27576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02869	1.9
57.03451	41.4
58.00612	1.0
59.01381	57.9
60.01716	0.8
60.58029	0.7
61.13219	0.8
61.98833	100.0
69.99197	4.4
71.01386	18.9
72.01746	0.8
72.99316	0.8
73.02953	7.9
76.14243	0.7
81.03474	1.0
83.01395	4.3
83.50300	0.6
85.02518	0.8
85.02966	4.1
87.00896	1.1
88.98833	1.4
89.02460	11.1
93.03468	3.8
95.01424	1.4
98.29721	0.7
99.04533	64.6
100.04880	1.9
101.01775	1.3
101.02458	27.2
102.02751	0.8
111.04520	0.8
113.02467	10.8
113.06096	0.7
119.03514	5.7
121.06663	0.7
123.04552	3.6
125.02469	32.3
126.02848	1.6
131.03537	1.6
135.04588	2.0
137.02492	3.4
137.09724	4.8
143.03502	6.0
149.04590	4.7
151.00456	1.3
153.05615	1.1
155.03604	0.8
161.02553	0.9
161.04576	13.2
163.04021	0.9
166.09773	0.7
172.32242	0.8
173.04590	4.0
178.99982	0.8
179.05629	5.2
191.03835	1.2
191.05624	7.5
201.40105	0.8
203.05566	1.0
216.61481	0.6
221.06667	4.0
261.09851	1.2
263.07870	2.2
263.96518	0.7
295.06302	0.7
323.09888	5.7
337.10709	1.5
369.19275	1.5
400.14789	0.9
411.20193	4.5
451.23608	1.1
454.40649	0.7
468.08331	0.9
469.24466	3.1
513.23389	35.6
514.23730	6.6
559.15039	1.7
577.16119	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	576.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19299	0.6
55.01868	0.7
57.03452	34.9
58.00582	0.5
58.03794	0.8
58.42125	0.6
59.01384	36.6
61.98835	100.0
67.01904	0.6
70.89484	0.6
71.01390	17.1
71.71440	0.9
73.02943	6.9
80.46671	0.5
81.03475	1.1
83.01398	3.5
85.02963	5.1
87.00903	1.9
89.02457	12.6
91.66542	0.6
93.03490	2.3
94.41684	0.5
95.01422	1.3
95.05052	0.7
96.50402	0.6
96.96066	0.6
97.06657	0.7
99.00886	0.8
99.04540	39.9
100.04884	0.9
101.02460	19.1
109.02985	1.0
110.58113	0.5
111.04610	0.8
113.02469	10.1
114.02856	0.7
116.92854	3.1
119.03525	4.9
123.04548	3.9
125.02473	19.2
126.02809	0.7
131.03575	1.4
133.02980	0.7
135.04547	1.8
137.02423	0.8
137.09756	6.0
141.05676	1.0
143.03502	4.5
149.04631	2.3
151.00414	1.8
161.02559	1.3
161.04579	29.0
162.04942	1.1
173.04594	2.5
178.99937	1.9
179.03990	1.0
179.05644	10.6
189.12868	1.1
191.05630	5.3
203.05652	1.8
221.06708	2.9
233.06795	2.6
240.70532	0.6
243.03133	1.8
255.03067	3.3
263.07739	13.7
263.10358	1.0
264.07950	0.7
270.01669	0.6
270.07834	1.1
271.02490	5.4
285.04092	1.0
300.02814	7.8
301.03668	3.5
314.04257	1.7
323.09848	26.5
324.10300	1.9
329.06793	2.4
353.09021	1.2
388.32315	0.6
411.20383	1.1
446.71875	0.6
463.08615	0.9
469.24420	0.7
505.10217	1.2
513.23340	12.2
513.30145	0.9
514.24237	2.4
559.14789	4.2
560.19659	0.7
576.14746	0.8
576.34393	1.8
577.15680	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	575.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
58.40373	0.3
59.01382	12.1
61.98821	0.9
70.62359	1.2
71.01394	2.4
73.02940	0.4
78.95905	0.5
85.02961	0.6
87.00893	0.4
89.02464	1.8
91.07714	0.3
95.01376	0.3
98.20462	0.3
98.38886	0.3
101.02455	2.7
113.02451	1.0
119.03524	0.5
143.03519	0.3
161.04520	1.0
178.44017	0.3
191.05568	0.4
197.15569	0.4
219.55008	0.3
235.08197	1.5
253.09306	15.3
254.09587	1.1
277.21780	0.7
279.23294	100.0
280.23651	12.4
280.26059	0.2
298.10498	0.3
307.93082	0.3
377.30591	1.1
408.90918	0.3
515.31818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06637	0.1
55.70101	0.1
59.01376	0.1
61.98833	100.0
62.98534	0.1
67.96582	0.1
70.62365	0.3
70.62723	0.1
71.01389	0.1
74.63236	0.1
78.95928	0.3
80.89147	0.1
93.03476	0.2
111.04552	0.2
121.02859	0.1
137.02458	0.1
151.00366	0.1
152.99611	0.1
155.03636	0.1
161.02570	0.1
173.04617	0.2
175.83226	0.1
191.05653	0.2
209.11902	0.2
209.21559	0.1
396.75684	0.1
464.83566	0.1
515.28589	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
59.53927	0.6
61.98831	1.3
63.45165	0.5
71.01398	2.5
71.09648	1.2
73.02951	0.7
79.01886	0.7
83.01420	0.7
85.02950	1.0
87.00898	0.6
88.21210	0.5
88.98805	1.0
89.02446	1.6
93.03468	3.3
95.01394	0.5
96.96020	3.1
101.02456	1.7
107.01392	0.6
109.02962	0.8
111.04472	0.6
113.02438	0.7
116.92845	1.5
117.03483	5.9
119.05049	1.7
123.99903	0.5
125.02456	0.7
126.90475	6.5
131.05084	0.8
133.02940	1.2
133.06596	0.7
135.04578	3.8
136.04907	0.6
137.02440	1.5
145.03004	0.7
149.02454	0.8
151.04022	1.2
155.03546	0.6
159.04507	0.9
161.02475	3.0
163.00388	0.7
163.04027	1.5
165.01891	0.8
173.04561	3.7
173.06020	1.2
175.04008	1.9
177.01917	1.5
177.05600	1.7
178.99947	0.7
179.03535	2.0
181.42384	0.5
187.04037	0.9
189.01881	1.1
189.05563	0.7
191.03535	1.4
191.05617	4.1
197.06088	0.7
201.05597	0.8
203.03542	1.1
205.01414	0.7
207.03008	2.6
219.03003	0.7
227.03452	0.6
231.03035	1.1
233.04572	0.5
237.03815	0.9
239.07095	1.3
249.03923	1.1
251.07097	1.0
254.05678	0.7
267.06555	2.3
269.04620	1.5
281.04596	2.8
282.05292	2.3
283.06143	10.7
284.06516	1.2
293.04559	1.1
295.06143	8.2
296.06744	2.6
297.04367	0.9
297.07709	17.1
298.08154	2.1
300.02768	1.4
301.03555	1.1
307.06161	2.8
308.03250	0.6
309.04269	0.7
309.07645	1.6
311.05600	10.5
312.05988	0.9
321.03940	0.8
321.07730	0.6
322.04657	1.6
322.08438	0.6
323.05667	8.3
324.06125	1.8
325.07147	7.8
328.05969	2.9
335.05518	2.0
337.07300	2.7
339.04987	2.1
341.06708	3.2
351.05103	6.4
353.06659	31.0
354.07071	3.6
355.08203	1.2
356.05273	1.6
363.05078	1.4
365.06802	3.3
367.04645	1.3
369.06137	19.0
370.06476	2.4
381.06082	3.7
383.07709	15.0
384.08167	1.4
395.07642	1.9
397.05676	1.6
399.07272	10.0
400.07416	1.0
411.07254	1.1
413.08670	1.0
431.09982	1.0
447.09119	1.3
455.09775	3.6
471.09210	2.0
472.09567	0.8
473.10864	16.6
474.11133	2.4
485.10736	1.3
487.08618	1.5
489.10370	19.8
489.17432	1.1
490.10757	3.4
557.12952	0.8
575.14105	100.0
576.14429	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	572.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59185	0.1
59.01373	0.2
61.98837	100.0
62.98533	0.2
63.99242	0.2
71.69772	0.2
78.95922	0.2
87.00944	0.2
93.03471	0.2
135.04572	0.2
191.05638	0.1
211.13441	0.2
237.51408	0.1
387.24121	0.1
431.20883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13481	0.8
54.37419	0.9
54.97463	0.8
57.03457	2.8
59.01385	100.0
67.01922	1.2
71.01383	2.2
71.69223	1.1
78.95937	1.7
85.02985	3.1
87.00912	0.8
88.98824	0.9
93.03466	6.9
96.96050	2.2
96.96982	2.5
97.02949	1.0
103.00392	27.9
107.15542	1.1
109.02933	0.9
111.04543	2.1
125.02444	2.0
133.05104	28.9
135.04546	17.5
137.02521	1.4
142.26044	1.2
144.83618	0.9
155.03519	1.9
161.02481	1.3
173.04590	20.8
174.04984	1.6
175.06149	19.6
179.03516	15.0
180.03853	1.6
187.02490	1.1
191.05630	30.1
192.05991	1.5
219.05116	5.8
290.20081	1.1
299.44495	0.9
353.08777	20.8
354.09320	1.9
358.21924	0.9
587.26392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49334	5.0
57.03443	69.4
59.01382	70.5
61.98815	9.8
71.01386	21.1
71.70993	7.6
75.36215	5.3
83.01405	16.1
85.02947	13.0
87.00899	6.4
88.98809	11.1
89.02461	7.6
93.03455	8.8
99.04538	59.6
101.02473	27.7
111.00863	6.4
113.02497	16.1
119.05050	9.7
125.02458	34.2
137.02518	6.7
137.03705	4.7
146.06171	9.8
148.07732	11.9
151.03995	5.9
161.04497	8.5
163.04050	14.4
165.12720	4.9
173.04564	15.0
177.01900	7.4
179.03419	5.7
179.25330	6.7
191.05643	38.7
195.10648	6.1
197.62706	4.9
207.08780	31.7
249.10062	8.1
285.03940	6.5
337.09363	6.7
351.13010	100.0
352.13361	12.4
573.09882	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	573.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14029	0.2
55.26412	0.2
58.00602	0.2
59.01381	13.5
61.98836	0.8
71.01391	2.8
71.70992	0.3
72.99315	0.3
73.02959	0.8
83.01405	0.4
85.02963	0.7
87.00893	0.4
89.02455	2.4
92.95827	0.1
95.01373	0.2
101.02465	3.1
113.02496	1.3
119.03529	0.7
127.34404	0.2
133.05122	0.3
136.82436	0.2
143.03511	0.2
161.04570	1.1
169.47043	0.2
173.04625	0.2
176.63068	0.2
179.05673	0.3
180.19328	0.2
181.16144	0.3
205.19695	0.2
233.22934	0.4
235.08269	2.0
253.09300	15.3
254.09669	0.9
259.20654	0.3
275.20190	0.2
277.21732	100.0
278.22086	11.9
278.25256	0.4
296.95190	0.2
346.04517	0.2
381.84406	0.2
382.48795	0.2
468.11951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25244	0.4
59.01385	4.2
61.98837	22.7
69.32770	0.4
71.01377	1.8
71.70213	0.5
71.70612	0.4
72.99323	1.0
75.00886	7.4
78.95915	100.0
83.01394	0.5
85.02964	0.9
87.04536	0.9
88.98831	0.7
89.02458	1.8
93.03470	1.0
96.96977	6.0
97.68163	0.3
99.00912	1.1
101.02478	0.9
109.02964	0.8
113.02484	0.6
116.92901	0.8
117.01940	0.5
125.02514	0.5
135.03032	14.5
137.02478	0.5
140.01204	1.6
152.99611	8.9
158.88120	0.4
161.04620	0.7
171.00668	55.4
171.10457	0.4
172.01009	0.7
173.04529	1.0
173.21013	0.4
191.05678	1.2
209.11905	0.5
214.04878	2.9
229.08681	0.4
271.02325	0.4
296.18802	0.8
301.14154	0.5
320.16370	0.5
353.16208	0.5
394.20001	9.2
395.20517	0.8
411.15897	0.4
448.17358	1.5
450.18994	23.7
451.19345	3.4
478.18484	1.4
507.35297	2.2
508.19366	1.1
508.35733	1.9
509.26218	1.3
568.21716	21.8
569.21344	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	571.2897
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
52.23471	0.3
61.98843	1.3
70.91251	0.9
78.95915	53.9
96.96980	13.3
98.49201	0.3
132.64575	0.3
134.98555	0.6
150.88226	0.3
150.98062	0.7
152.99617	53.7
153.99973	0.9
171.00616	0.3
223.00125	2.4
237.22009	0.3
241.01208	29.7
242.01572	1.2
255.23303	73.2
256.23648	7.6
259.02194	0.6
315.04895	7.6
316.05292	0.6
391.22565	4.2
489.64902	0.3
508.37433	0.4
571.28961	100.0
572.29327	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	571.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	31.7
61.98838	22.2
66.22395	0.5
71.01402	0.5
71.24920	1.2
77.22746	0.5
81.03479	0.6
83.05030	3.8
84.02200	0.5
85.02949	0.4
87.76760	0.4
93.03483	1.4
95.05028	0.6
99.93182	0.4
109.02975	0.5
111.04546	0.5
121.02952	0.6
131.57280	0.5
135.04530	0.8
135.08260	0.6
137.02406	0.5
145.74619	0.4
163.04047	0.8
163.11378	2.5
165.12900	1.7
171.10286	4.8
173.04584	1.8
175.04062	1.9
177.05588	0.5
181.12390	0.6
188.38292	0.5
191.05603	2.4
201.49773	0.5
209.11855	100.0
210.12177	6.5
227.12907	12.2
228.13029	0.8
247.13399	1.6
265.14447	0.6
285.18588	0.6
299.50458	0.5
401.23416	0.9
417.08270	0.8
475.26727	1.2
493.28238	0.9
535.19855	0.5
543.22083	2.7
544.23047	0.6
553.96973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94596	0.2
55.01886	0.5
57.03447	0.7
58.00594	0.7
58.62354	0.2
59.01083	0.5
59.01382	7.7
60.99322	0.6
61.46304	0.2
61.98835	100.0
65.34548	0.2
71.01391	6.6
71.69947	0.2
71.70470	0.3
72.99329	0.8
73.02963	1.4
75.00900	0.3
78.95938	0.6
83.01370	1.4
85.02962	2.9
87.00888	1.2
88.98815	4.0
89.02457	3.3
90.02773	0.3
91.39158	0.2
93.03475	1.4
95.01411	0.6
96.96024	0.5
97.02995	0.5
98.95581	0.3
99.00912	1.1
99.04536	0.3
99.92589	1.1
100.93375	0.4
101.02467	4.9
102.98616	0.2
108.02184	0.5
109.02995	0.7
111.00971	0.4
111.36754	0.3
113.02480	1.8
114.93443	1.2
114.94117	0.2
115.92101	6.7
116.92136	0.4
116.92858	2.3
117.92899	0.4
118.94466	0.5
119.03526	1.1
119.05102	0.3
120.99630	0.3
123.00890	1.5
123.04606	0.2
125.02497	1.1
126.38027	0.2
131.03543	0.5
131.11198	0.3
133.02953	0.3
135.04541	0.7
135.08185	1.0
136.08551	0.5
137.02460	1.8
138.03256	2.5
141.02058	0.2
149.04539	0.5
150.03253	0.7
151.00240	0.3
151.04007	0.2
152.01199	0.5
153.01944	0.3
153.05600	2.9
161.02437	0.7
161.04637	0.3
163.04074	0.3
164.04811	0.3
165.05605	1.0
167.10887	0.2
173.04578	0.9
178.06387	0.4
179.03511	0.5
179.07106	0.4
181.05070	0.3
182.02309	0.3
191.05634	1.6
193.08829	0.2
195.06647	0.6
197.04645	0.7
202.02736	0.3
207.06584	0.3
213.02013	0.9
214.02711	0.3
217.04976	0.3
217.96776	0.3
219.94690	0.5
227.03366	0.4
229.05106	0.3
230.02182	1.1
231.03067	0.5
241.01445	1.7
242.02138	0.6
243.03009	0.3
245.04539	0.9
255.02980	1.6
256.03751	0.7
257.04550	1.2
258.01678	7.2
259.02402	3.9
260.02808	0.4
271.02591	0.3
271.97818	0.4
273.04050	8.7
273.07114	0.5
274.04709	2.3
275.05740	0.4
275.09433	0.2
284.03241	0.7
285.03748	0.3
286.04889	1.8
287.05557	0.4
288.06400	15.1
289.07147	11.3
290.07584	1.0
300.02771	0.7
301.03561	0.4
301.07288	0.6
303.08759	29.4
304.09213	3.5
315.05182	2.4
316.05801	0.5
316.09494	3.9
317.10254	1.7
318.11038	1.9
331.11893	5.7
332.12323	0.6
361.85382	0.3
373.16888	0.3
375.14517	2.8
376.15070	0.7
390.00500	1.9
390.16818	3.4
391.17505	0.6
405.11478	0.4
405.19223	8.5
406.19531	1.4
413.18155	0.3
453.09164	0.2
477.10446	1.9
487.07050	0.4
537.19543	0.5
552.22162	1.9
567.24548	70.8
568.24890	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	567.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
59.01384	91.9
60.01695	1.1
61.98834	8.7
64.26789	1.1
71.01389	32.1
72.63791	1.0
72.99310	2.2
73.02951	12.7
75.00886	2.4
78.95895	2.0
83.01374	2.3
85.02969	12.5
87.00887	2.7
88.98798	2.6
89.02460	17.4
90.02794	1.3
93.03468	12.9
95.01414	1.6
97.02940	2.6
99.00904	8.0
99.04553	1.1
99.92600	2.0
101.02465	23.2
108.02188	5.1
109.02988	3.5
110.02012	1.3
113.02480	15.8
115.92091	18.4
116.92870	7.6
118.94402	2.0
119.03545	2.8
123.00896	1.2
123.57316	1.1
125.02467	3.4
131.03552	3.1
134.03789	1.4
135.04550	3.1
137.02460	14.7
143.03522	1.4
149.04578	6.8
152.01190	8.4
153.01834	1.5
159.02968	2.6
161.02477	1.9
161.04579	12.6
164.03612	3.0
173.04588	5.0
175.03967	1.3
179.03516	2.5
191.05592	8.4
193.04955	1.3
208.38692	1.4
229.76083	1.3
233.06717	1.2
235.80978	1.3
254.08304	1.5
271.08621	6.0
281.06653	5.8
285.04117	1.9
286.10892	4.1
301.03336	1.5
303.08603	1.5
315.18018	7.8
348.02792	1.4
404.01773	2.0
405.02753	1.6
447.22388	100.0
448.22662	14.7
452.55389	1.2
465.23337	2.7
507.24414	60.9
508.24857	12.6
567.13495	6.6
567.24951	6.6
568.18188	12.8
568.24872	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	567.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61583	0.3
52.38028	0.3
53.07230	0.3
57.03454	3.4
59.01379	2.1
61.98831	1.3
65.00323	0.8
69.03477	0.5
71.01398	1.1
71.10772	0.7
72.99330	0.3
73.02959	0.4
75.00906	0.4
75.78330	0.3
81.03471	10.9
83.01390	4.4
85.02966	0.7
87.58384	0.3
88.98820	1.5
89.02463	0.7
93.03474	7.9
94.03808	0.4
95.01378	0.5
95.05047	1.0
97.02988	1.0
99.04533	1.5
99.92616	0.9
101.02489	0.8
105.03464	0.5
107.01414	1.4
108.02201	0.6
109.02985	0.8
111.04505	0.5
113.02451	0.9
114.93448	0.7
115.92110	1.4
116.92889	5.9
117.92920	1.6
118.61467	0.4
118.92736	1.0
119.05051	10.6
120.05359	0.3
121.02972	0.8
123.04549	33.7
124.04080	0.3
124.04867	1.5
125.02470	34.1
126.02789	1.2
131.46219	0.3
135.04564	2.4
137.02493	1.1
137.06126	0.5
139.04034	1.3
140.06810	0.3
145.02885	0.4
147.04585	0.6
149.02444	3.5
151.00400	3.5
151.04097	0.5
152.01054	0.4
152.03630	0.4
155.03441	0.3
161.02492	0.5
161.04510	0.3
161.06087	0.4
163.04044	0.7
165.05612	0.7
166.02655	0.4
167.03525	96.4
168.03854	4.9
169.06572	0.5
171.04570	0.4
173.04532	1.0
179.03522	10.5
180.03877	0.8
187.07623	0.5
189.05573	3.1
191.03519	2.9
191.05597	1.0
197.04578	0.4
209.04578	2.1
211.07642	0.4
221.04572	0.6
229.08684	1.6
239.05624	0.9
252.06615	0.4
255.06535	0.9
273.07687	100.0
274.08035	9.3
297.07538	1.8
300.02872	0.8
301.03479	0.4
302.72452	0.3
315.08789	1.0
327.08728	0.5
335.07465	0.4
345.10010	0.4
357.09802	6.0
358.10190	0.4
387.10806	5.9
387.15414	0.5
388.11139	0.8
417.12021	2.3
418.11862	0.4
419.11984	3.1
420.12210	0.4
422.96634	0.4
429.11758	0.9
447.12912	1.5
459.12830	0.9
477.14038	0.6
567.17249	46.7
568.17572	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	566.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
58.04346	0.1
59.01375	1.1
61.98832	100.0
62.98552	0.3
71.01388	0.8
71.61702	0.1
77.10992	0.1
78.95939	0.2
85.02967	0.2
89.02454	1.8
90.02805	0.5
91.02927	0.2
93.03490	0.5
96.96025	0.3
99.92616	0.2
101.02472	0.4
105.69936	0.1
108.02216	0.1
109.02983	0.4
111.00870	0.2
111.04528	0.1
113.02489	0.2
114.05577	0.1
115.92127	0.3
116.92832	0.6
117.92881	0.2
119.03532	0.2
122.06184	0.2
133.05113	0.2
134.03798	0.3
134.50928	0.1
135.04541	0.3
137.02457	0.5
137.31880	0.1
149.06012	0.1
151.04039	0.1
152.03569	0.3
160.03995	0.1
161.04605	0.2
163.04079	0.2
164.94066	0.1
173.04637	0.5
178.02754	0.2
179.03511	0.2
179.05693	0.4
191.05614	0.8
193.05103	0.5
194.31793	0.1
251.74426	0.1
288.08859	0.3
340.09354	0.1
356.07693	0.1
386.08820	0.1
400.42334	0.1
422.23502	0.1
451.23163	0.3
487.07318	0.4
549.23041	0.2
566.14954	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	567.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	1.9
65.28934	0.9
70.85507	2.6
71.01389	2.8
73.02953	1.6
79.70350	0.8
85.02962	1.1
93.03472	39.8
94.03807	1.2
99.00880	2.0
101.02440	1.6
108.01454	2.3
108.02194	41.6
109.03034	6.6
110.48712	0.9
113.02464	1.2
115.92086	1.6
132.94019	0.8
135.04454	1.0
137.02472	55.3
138.02817	3.3
151.04010	1.2
152.01183	73.3
153.01933	5.3
158.95419	1.0
163.04031	1.7
188.62721	1.0
202.99309	1.0
249.00577	0.9
284.03317	1.4
285.04062	4.1
292.25970	1.1
429.10406	4.3
447.11496	10.5
567.13635	100.0
568.13922	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	566.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01372	1.7
61.98832	37.3
68.76524	0.7
69.29981	0.6
71.01390	0.8
71.27183	1.4
71.27556	1.4
73.02948	1.5
78.95918	0.8
81.03498	1.0
83.05030	2.3
85.02951	1.2
93.03468	13.6
95.01386	0.6
96.54730	0.7
109.02932	1.3
111.04543	4.0
119.05042	2.5
121.06621	1.0
134.03755	2.7
135.04515	2.1
137.02487	5.5
146.06149	4.4
147.04530	2.3
147.06467	1.6
149.02417	0.8
149.06128	13.1
155.03534	4.7
158.03621	1.0
159.04558	1.0
161.02437	1.4
172.05309	5.9
173.04558	4.3
173.06078	8.6
174.03189	4.3
174.06435	0.9
175.04022	31.9
176.04768	3.7
177.05562	3.1
185.06070	2.9
186.06816	2.3
188.18938	0.8
191.05615	5.6
204.04291	1.8
224.04736	0.8
268.06781	0.8
279.05344	1.8
280.05667	2.9
283.08691	0.8
284.17322	1.0
285.18600	66.4
286.18954	9.8
287.16519	3.0
288.16989	1.7
294.07803	3.5
295.08118	3.2
303.19669	48.9
304.19864	5.2
309.10086	1.3
310.10388	1.5
312.12354	1.8
313.12720	1.3
329.17590	14.6
330.17645	1.5
331.19061	2.3
347.18628	3.9
357.16708	0.9
392.17950	0.9
428.14835	2.1
429.15335	7.7
485.21707	5.3
503.22855	100.0
504.23199	18.2
566.20374	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	565.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03450	0.4
57.42742	0.3
59.01384	2.3
59.02230	0.2
61.98837	1.4
65.95428	0.2
67.01869	0.4
68.99810	0.3
69.59215	2.2
71.01386	1.5
72.99326	0.2
73.02951	0.6
83.01385	0.7
85.02959	0.6
88.98787	0.2
89.02441	0.2
93.03503	0.3
95.01406	0.3
99.00898	0.3
99.04550	0.3
101.02477	1.2
101.40741	0.2
109.02958	0.5
111.00906	1.5
113.02481	0.6
116.92883	1.1
123.00934	1.2
124.01711	1.7
124.75774	0.2
125.02511	1.1
127.00397	1.2
127.27831	0.2
134.03751	0.5
135.04515	1.0
136.98817	1.1
137.02452	0.9
138.03230	0.6
139.00397	6.7
139.04034	2.2
140.01115	0.3
146.54588	0.2
147.08244	0.4
149.02486	0.3
150.99164	0.4
151.00389	7.3
151.04025	0.9
152.01178	5.3
153.01959	1.8
153.05597	0.5
154.02724	1.0
161.02467	0.4
161.04517	0.6
163.03999	1.1
163.07648	1.0
164.04819	1.3
166.02734	26.2
167.03513	7.3
168.04219	0.7
173.04584	0.6
173.06131	0.7
175.03935	0.4
175.07669	0.3
176.04790	0.5
178.02802	0.3
178.06425	1.7
179.03510	1.0
179.07178	1.8
180.04311	3.3
181.05086	31.6
182.05438	1.5
189.05499	0.4
190.06360	5.0
191.05624	0.5
191.07161	4.0
192.07738	0.3
193.05031	0.7
193.08723	0.8
194.05910	1.4
195.06659	3.5
201.05623	0.3
203.07280	0.4
204.08109	0.3
205.08745	2.6
206.05701	0.4
206.09422	1.7
207.06572	0.6
207.10051	0.3
208.07358	0.6
209.08153	1.0
216.07829	0.3
217.01410	0.3
218.05962	0.4
219.06531	0.3
221.08258	1.7
233.08183	1.1
247.17960	0.2
340.09586	0.4
341.09976	0.3
345.13483	0.8
355.11780	1.7
356.11993	0.3
370.14221	1.8
371.14719	0.5
373.12924	8.6
374.13281	1.1
385.16550	0.9
387.14429	0.7
388.15305	9.7
389.15869	1.4
403.17648	100.0
404.17975	15.1
404.23486	0.5
418.12744	0.2
421.24463	0.7
461.31259	0.6
463.25754	0.5
505.34280	0.3
565.21045	0.7
565.35809	0.4
566.33429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58874	0.5
57.03443	1.2
59.01373	2.4
67.01891	5.4
69.03465	1.7
70.26702	2.7
71.01390	3.7
80.11100	0.6
81.03478	1.0
82.17027	0.5
83.05032	1.7
85.02965	4.6
86.03310	0.5
87.00879	1.1
89.03980	0.9
91.05540	2.9
93.03473	32.5
94.03831	1.3
99.04536	0.7
105.03434	0.6
109.02975	2.1
111.00883	1.3
111.04537	7.8
113.02479	1.0
116.92890	1.7
117.03496	1.3
119.05048	7.6
121.02958	0.8
121.06599	0.7
126.02393	0.6
127.04034	1.5
131.04990	0.8
132.02202	0.8
133.02986	2.2
134.03746	2.0
135.04543	13.0
136.04861	0.8
137.02486	6.0
137.06091	1.2
143.03517	0.5
145.02950	1.4
146.03760	2.8
147.04547	22.9
148.05026	1.7
149.02473	1.0
149.06140	3.1
150.03175	0.9
151.00389	0.6
155.03545	6.0
160.05302	0.7
161.02420	2.3
162.03180	0.7
163.03996	3.0
165.05583	1.5
168.99503	0.5
169.81897	0.5
171.13939	4.8
173.04581	100.0
174.03249	2.2
174.04927	3.3
175.04028	17.1
176.04427	1.3
178.02719	0.7
179.03471	2.8
187.04001	0.8
188.04816	1.5
189.01947	1.4
191.03569	4.3
191.05623	26.1
192.04370	1.0
192.05936	4.9
193.04968	2.4
193.06209	2.0
201.01961	2.4
205.01434	2.3
207.03058	1.3
217.01524	0.8
219.03011	31.2
220.03336	3.0
223.02507	6.5
235.02438	1.4
237.01668	1.0
237.04054	17.6
238.04445	0.6
261.04031	0.6
271.16953	0.6
273.18604	2.6
283.16995	1.1
289.18008	0.7
299.16382	0.9
301.18100	18.3
302.18445	2.5
317.17554	1.8
319.19119	2.8
320.19589	0.6
327.16113	1.0
329.17438	3.4
345.17120	18.9
346.17334	2.3
347.18570	1.8
349.09442	1.0
361.16684	0.8
363.18140	17.7
364.18600	1.5
371.92844	0.6
373.16266	5.0
374.16861	1.1
391.17654	17.3
392.18079	2.6
393.08298	7.3
394.08633	0.7
411.09317	10.6
412.09677	1.2
519.22266	9.0
520.22839	1.5
537.23328	15.9
538.23718	3.7
547.21942	1.3
565.22919	29.5
566.23273	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	565.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61938	0.5
52.84710	0.4
56.07899	0.5
59.01369	3.3
60.61798	0.5
60.99313	1.1
61.98815	1.5
67.01884	1.9
69.03449	1.0
69.75481	3.9
71.01381	2.5
81.03480	1.3
83.05043	1.0
85.02956	13.5
87.00883	5.9
89.03980	2.2
91.37611	0.4
93.03469	17.0
95.01414	0.5
97.91517	0.6
98.10725	0.5
99.04523	0.8
108.02183	0.6
109.02958	1.8
111.04530	3.4
113.02486	0.7
116.92877	1.5
117.03508	2.7
119.05054	2.0
121.02888	0.7
121.06628	0.7
127.04045	3.8
132.02199	1.9
133.02975	4.3
134.03787	1.6
135.04524	1.6
137.02487	0.7
145.02975	5.7
146.03731	1.0
147.04541	7.0
148.05342	0.7
149.02406	0.5
149.06096	5.8
151.04028	0.9
153.05370	0.6
155.03517	1.1
158.03778	3.1
158.04906	0.5
161.02458	5.7
162.03203	0.7
163.04024	2.0
171.03014	1.2
171.13911	3.4
173.02449	10.2
173.04564	13.7
174.03081	1.6
175.04024	7.6
176.04424	1.1
177.01974	1.3
177.05600	2.3
179.03532	0.6
183.04410	0.7
187.00391	0.9
189.01961	1.3
190.02713	1.7
191.05627	100.0
192.05954	4.1
201.00116	0.6
201.01945	12.0
202.02364	0.9
204.06709	0.7
205.01422	3.2
214.02840	2.9
215.03648	0.6
215.05487	3.3
218.02217	1.5
219.03006	26.4
220.03293	1.8
221.04558	5.4
223.02475	0.7
237.04045	1.7
271.17072	1.3
274.16254	0.6
277.17896	0.6
283.17084	1.1
289.18002	0.9
297.82156	0.5
299.16458	3.8
301.18100	3.7
303.19592	3.0
317.17538	2.3
327.16046	8.7
328.16461	1.6
329.17554	3.7
330.17892	0.6
345.17084	29.1
346.17398	4.1
347.18668	3.8
348.18887	0.6
349.09494	0.6
355.15454	1.3
363.18250	1.3
365.08694	0.5
373.16577	64.9
374.16873	8.6
391.17480	1.2
393.08307	7.8
394.08667	1.3
411.09433	3.8
475.23322	1.0
519.22296	10.1
520.22729	2.2
537.23676	3.2
538.23578	0.8
565.22949	12.2
566.22986	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	565.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96382	0.8
57.03435	1.3
59.01371	3.9
61.98825	3.1
67.01863	1.3
71.01386	2.1
71.69689	1.3
79.76627	0.9
83.05029	2.6
85.02970	10.7
87.00871	2.8
89.03989	4.0
91.05549	4.4
93.03472	10.4
105.03458	1.3
108.02180	1.2
109.02980	2.6
109.16229	0.8
111.00869	0.9
111.04563	6.2
116.92877	3.4
117.03486	7.8
119.05054	14.3
121.02954	2.1
121.06633	1.6
123.04560	1.2
127.04020	2.5
131.05067	1.5
132.02190	6.8
133.02997	11.7
134.03773	47.4
135.04564	37.7
136.04918	2.3
137.02470	6.9
139.04047	1.1
145.02989	4.4
146.03780	5.1
147.03438	2.1
147.04549	50.6
148.05052	4.0
149.02455	2.4
149.06100	9.9
150.03239	1.8
151.04047	1.1
155.03506	4.4
159.04504	1.3
160.01682	10.1
161.02481	10.8
162.03227	1.6
163.04037	6.8
165.05478	1.4
171.14017	5.4
173.02470	5.0
173.04597	15.9
174.03278	5.9
174.06879	1.1
175.04028	48.7
176.04359	2.6
177.01973	0.9
177.05466	1.1
178.02740	4.7
179.03511	19.7
188.04822	3.4
190.02773	1.2
191.03621	5.1
191.05629	65.9
192.04378	1.1
192.06000	2.5
193.03320	1.4
193.05070	26.5
194.05493	1.4
201.01976	5.3
204.75641	1.1
205.01447	6.9
207.03017	1.4
207.06607	2.0
214.02760	1.9
218.02153	1.0
219.03006	44.2
220.03342	3.7
223.02519	7.8
237.04056	21.7
238.04387	2.1
271.16928	1.1
273.16183	0.9
273.18604	5.8
283.17072	2.6
289.18076	1.7
299.16473	1.7
301.18118	67.7
302.18439	8.7
317.17606	2.1
319.19211	3.0
327.16010	2.0
329.17642	2.1
341.10223	1.0
345.17120	42.6
346.17462	5.8
347.18564	1.7
353.08859	2.2
363.18134	15.8
364.18414	2.5
373.16638	15.2
374.16937	1.6
391.17566	15.8
392.18008	3.2
393.08276	8.6
394.08545	1.4
397.07813	3.9
411.09280	16.2
412.09628	1.6
519.22308	14.7
520.22546	2.4
537.23309	18.6
538.23718	4.0
547.21808	1.4
550.18646	1.8
565.21631	100.0
566.21991	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	565.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52693	1.1
55.01899	2.5
57.03452	2.9
58.00589	2.9
59.01381	65.0
59.65166	1.1
60.01732	1.5
60.99303	1.2
61.98837	10.5
65.95591	1.1
69.03467	4.0
71.01392	56.2
71.03509	2.5
71.03865	1.7
72.99310	3.6
73.02959	12.9
78.95934	2.5
81.03503	2.0
83.01402	2.3
85.02961	8.9
87.00900	2.8
88.98833	7.9
89.02458	94.9
90.02863	1.3
93.03487	4.4
94.04262	5.0
94.96127	1.1
95.01419	3.6
96.96021	13.7
97.02981	7.9
99.00902	20.1
99.04529	1.2
99.92593	3.8
101.02460	36.5
108.02163	1.2
109.02962	2.4
111.00912	1.5
111.04533	2.1
113.02454	7.2
113.06101	1.2
115.04034	3.1
116.92881	38.7
117.92896	5.0
118.92693	1.4
119.03555	2.1
120.05867	6.5
125.02474	42.3
126.02821	1.6
131.03532	15.3
134.03752	1.6
135.04608	2.7
135.08186	100.0
136.08511	5.2
137.02472	2.8
143.03499	5.2
149.04582	52.8
152.01184	1.2
161.04654	2.1
161.06012	1.3
167.10794	14.6
173.04572	5.3
177.02023	1.6
179.03465	2.9
189.09236	2.0
191.05644	17.0
192.05959	1.2
193.08669	4.9
211.09760	18.4
212.10081	1.8
221.06622	1.3
233.06689	7.9
253.10800	2.2
269.00949	2.0
275.07721	6.0
283.11838	6.2
293.08804	29.5
300.02930	2.1
301.03412	1.4
321.13260	1.3
373.03827	2.3
389.02737	1.4
418.03378	3.2
419.03983	5.2
447.09320	1.9
467.15295	1.4
477.75623	1.2
505.33420	1.4
565.09857	4.9
565.32239	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.03
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10667	0.1
59.01372	0.1
63.00436	0.1
71.47049	0.3
80.30804	0.1
90.08923	0.1
99.92601	8.2
100.92609	0.5
109.77042	0.1
114.93460	0.2
116.92883	100.0
117.92895	6.8
151.00430	0.3
211.25375	0.1
243.02837	0.1
253.44351	0.1
255.02986	0.3
265.83975	0.1
266.02225	0.1
271.02460	0.5
300.02817	1.0
301.03510	0.6
354.95428	0.2
382.95233	0.3
406.14801	0.1
418.53769	0.2
432.49533	0.1
447.09341	1.4
448.09918	0.2
455.61343	0.1
547.01819	1.4
548.02118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0484
Annotation	UDP-Galactose
Peak:m/z	Relative Intensity
59.01383	0.9
60.99326	0.4
61.98827	1.1
62.96411	0.7
71.01381	0.5
71.70901	0.4
75.21858	0.3
78.95913	100.0
81.59493	0.3
87.00852	0.4
88.98840	2.3
89.02415	0.5
96.96976	40.9
111.00905	0.4
111.02026	7.9
120.97025	1.6
122.85786	0.4
127.70126	0.4
138.98039	3.2
150.98050	2.8
151.05162	0.8
158.92566	15.8
164.03542	0.7
168.99072	0.4
174.98036	1.1
176.93614	1.7
179.05667	0.4
191.02032	0.4
191.05634	0.9
192.99107	1.7
204.98964	0.5
211.00145	5.0
223.00166	0.5
232.95779	0.3
241.01196	9.4
242.01456	0.4
272.95682	4.2
280.02264	1.9
305.01776	1.2
320.97852	2.6
321.97769	0.4
323.02869	62.3
324.03168	4.2
384.98477	4.6
402.99542	1.2
503.14420	0.3
505.16565	0.4
565.04816	28.2
566.05219	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	565.2087
Annotation	Pterocellin E
Peak:m/z	Relative Intensity
52.52545	0.2
58.99922	0.2
59.01367	0.2
61.98829	0.5
65.03946	0.2
66.04976	0.2
67.01898	0.5
70.22485	0.2
71.29416	0.5
71.29766	0.3
85.02962	0.7
89.03985	1.5
92.16666	0.2
93.03474	2.2
105.03484	1.0
106.04278	0.6
108.02194	0.7
109.02974	0.9
111.00890	0.3
111.04532	0.4
116.92900	0.5
117.03482	4.4
118.03833	0.4
119.05034	1.7
121.02956	1.6
123.00906	0.3
123.04575	0.6
132.02203	4.7
133.02979	9.3
133.08139	0.2
134.03763	61.3
135.04573	19.5
136.01701	2.8
136.04886	1.0
137.02472	6.6
139.04045	1.6
145.02972	0.8
146.03745	0.8
147.04561	3.6
148.05356	1.8
149.02458	1.0
149.06108	5.5
150.03220	0.9
151.04034	3.2
153.05615	0.3
159.04520	0.8
160.01682	15.6
160.05235	0.5
161.02454	8.0
161.06062	0.5
162.03262	1.2
163.04021	1.0
165.05600	0.5
173.02365	0.6
173.04608	4.6
173.06020	0.3
174.03230	1.1
174.04776	0.4
175.04022	13.4
176.04454	0.9
177.01984	0.9
177.05605	0.6
178.02716	3.9
179.03520	16.7
180.03906	0.8
187.07733	0.3
189.05595	0.8
190.06255	0.4
191.03668	0.6
191.05605	4.1
191.07207	0.2
192.04385	0.3
193.05072	30.3
194.05402	1.8
201.01935	0.7
203.03415	0.3
205.04904	0.3
207.06677	3.5
219.02950	2.0
237.04051	0.7
267.06766	0.4
283.17114	0.4
295.06308	0.3
295.09726	0.3
301.18024	0.9
303.16071	0.3
311.09125	0.5
319.18790	0.3
325.97156	0.2
329.17426	0.6
341.10254	0.7
342.11096	0.4
345.17017	0.4
347.18668	0.7
356.12753	0.5
357.13416	1.0
363.17920	0.3
371.15060	0.6
373.16599	1.1
391.17737	0.8
550.18500	3.3
551.18958	0.4
565.20856	100.0
566.21198	19.8
566.34210	0.3
576.33148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.7
57.03441	1.6
58.00598	0.7
59.01382	15.3
61.98831	2.1
64.41779	0.3
67.01897	0.4
71.01391	14.2
71.69694	0.7
72.99320	0.5
73.02966	3.1
82.27660	0.4
83.01403	1.2
83.05027	0.7
85.02959	5.0
86.53986	0.4
87.00893	1.7
88.98829	0.4
89.02459	100.0
89.12516	0.4
90.02792	1.8
93.03480	2.2
95.01415	1.2
96.96014	2.8
97.02943	0.6
98.15400	0.4
98.95618	2.3
99.00903	1.2
99.92601	1.1
100.93393	0.4
101.02452	7.9
108.02238	0.6
109.02964	1.5
111.04535	0.7
113.02462	5.3
115.92096	1.0
116.92892	1.1
119.03533	3.1
123.04526	0.5
123.08186	4.3
125.02497	1.2
131.03539	1.3
133.05103	6.7
135.04535	1.3
137.02455	0.7
137.09750	1.3
143.03532	1.5
149.02425	0.6
149.04633	0.5
151.00430	0.7
151.03983	0.5
152.03523	0.6
155.03564	0.5
159.03015	0.9
159.04449	0.3
161.02528	0.6
161.04593	9.3
161.05959	0.7
162.06834	0.6
163.07655	0.5
163.11298	4.0
166.02740	0.6
167.03546	0.7
172.05447	0.6
172.49812	0.4
173.04607	4.1
173.09767	0.5
175.04024	0.6
179.03456	0.5
179.03990	0.7
179.05624	8.3
181.05098	1.3
189.12871	7.4
190.13144	0.5
191.05624	5.1
192.05949	0.4
205.03586	0.5
207.13928	10.0
208.14287	0.9
219.02911	0.9
225.14960	3.5
227.77551	0.4
243.97009	0.5
255.02837	0.4
269.04825	0.6
271.02530	1.7
299.02032	1.2
300.02744	0.5
301.07474	0.7
313.07446	0.5
345.13525	2.3
353.94720	0.9
354.95444	0.7
359.15060	1.0
369.79578	0.4
382.95129	1.3
387.20261	14.2
388.20654	1.6
431.19318	1.8
459.22528	0.6
465.09070	0.4
503.25336	0.5
526.99463	0.5
563.02014	2.3
563.13861	2.2
563.27338	0.7
564.01666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
57.26569	1.1
59.01371	4.1
61.98817	2.8
66.88769	1.2
67.01901	5.9
69.03448	1.7
69.64896	3.8
69.65329	4.7
71.01387	4.8
78.95925	1.4
83.05039	1.2
85.02962	8.2
87.00870	2.4
93.03472	43.0
94.03815	1.1
98.20561	1.9
109.02985	2.9
111.00881	2.0
111.04529	6.5
114.05690	1.1
116.92876	1.2
127.04066	2.6
134.03780	1.7
134.04744	5.8
137.02460	7.2
147.04532	2.3
152.03491	1.6
155.03532	8.7
158.03741	2.4
159.04575	9.0
161.02472	14.7
172.05322	32.1
173.04581	100.0
174.03232	3.2
174.04893	3.6
175.04034	7.3
177.05574	1.3
185.06073	9.4
187.04002	6.4
188.04704	1.4
191.05637	53.4
192.05838	1.8
196.05351	1.2
199.04143	2.7
199.07700	2.4
200.04742	1.5
201.02068	2.3
202.02689	1.7
203.03522	39.7
204.04262	17.2
205.04646	1.7
213.05589	1.8
218.05899	6.2
224.90883	1.1
225.09027	1.3
229.05602	1.1
247.02562	3.7
295.17047	1.6
299.19928	1.7
300.17328	6.4
301.17752	2.3
313.18124	55.0
314.18335	7.1
315.15863	1.8
316.16656	1.3
317.21155	1.7
327.16058	1.6
327.19626	14.8
328.20013	2.3
330.18393	1.3
345.20740	92.2
346.21075	12.3
356.16727	1.4
357.17010	7.0
358.17630	1.2
360.41412	1.1
371.18814	8.3
389.19714	25.7
390.20032	5.4
427.14484	1.2
427.28732	1.3
563.25110	23.5
564.25507	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	563.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27032	0.7
59.01380	4.7
61.98834	5.2
62.26463	0.8
67.01894	1.2
71.01380	2.8
78.95901	1.6
81.03469	2.1
83.05025	2.4
85.02954	11.1
87.00875	3.0
93.03470	14.3
99.04558	0.9
109.02956	3.2
111.04516	7.6
115.05541	1.3
116.92836	1.2
119.04998	0.8
121.06559	0.9
127.04018	2.5
129.01924	1.5
130.04239	3.1
131.05028	4.1
133.03014	1.0
135.04555	1.2
137.02458	2.9
139.31349	0.8
143.04988	1.2
145.02924	1.7
146.03741	1.6
147.04530	2.2
151.00441	0.9
153.12856	2.3
155.03540	7.1
156.05800	0.8
157.06563	1.0
158.03754	21.1
158.05031	1.1
159.04543	47.4
160.04866	3.4
161.02440	2.5
161.06113	1.0
169.06607	1.8
171.04524	1.1
172.05304	2.1
173.02412	1.3
173.04568	24.1
174.03262	9.4
174.04788	1.2
175.03938	2.5
183.04552	2.1
185.02437	8.1
187.03998	1.0
191.05632	100.0
192.05940	3.5
193.05078	1.1
196.05264	2.3
199.03967	5.0
200.04774	1.6
201.01984	1.0
201.05316	1.0
203.03470	7.9
210.06786	1.8
213.05554	1.3
214.06195	0.8
235.06140	4.7
267.17548	2.3
269.19125	3.0
271.16809	1.5
283.13428	1.4
284.13919	1.0
285.18604	20.3
286.18854	3.6
295.16998	12.8
297.15045	5.9
298.15515	1.2
300.02853	1.9
313.18106	40.2
314.18408	5.1
327.16202	0.9
327.19754	3.0
327.41571	0.8
339.16034	4.7
345.17090	1.3
345.20786	12.6
346.21063	1.6
357.17096	75.3
358.17441	11.1
371.18723	1.5
389.19751	27.9
390.19910	3.8
401.15979	2.1
411.70490	0.8
422.43265	0.7
531.22498	11.1
532.22717	3.2
563.26520	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.4
59.01376	1.6
61.98833	0.9
67.01904	0.6
70.07478	1.9
71.01385	1.4
72.44761	0.3
73.02943	0.6
76.40515	0.4
81.03470	0.8
83.05034	1.3
85.02957	9.9
87.00894	2.1
93.03468	6.3
98.19891	0.5
99.04547	0.7
109.02966	1.7
111.04530	3.5
125.02468	0.5
127.04008	2.6
129.02007	0.4
131.05026	0.3
134.03726	0.6
137.02435	1.0
138.14940	0.3
141.69273	0.4
146.03763	0.8
147.04514	1.1
151.00424	0.4
155.03516	2.2
158.03690	0.8
159.04546	4.0
161.02448	5.9
162.02675	0.3
171.03001	0.9
172.05324	14.4
173.02428	0.5
173.02968	0.4
173.04532	6.5
173.05818	0.7
174.03287	2.3
174.04617	0.4
175.04015	5.2
176.04655	0.5
185.06058	4.5
186.06702	0.6
187.04037	3.4
188.04741	0.7
189.01936	0.9
190.02658	0.5
191.05624	100.0
192.05978	3.3
196.05322	0.6
197.06075	1.0
197.92720	0.3
198.03207	0.5
199.04030	1.9
199.07690	1.0
200.04755	2.3
201.01935	1.2
201.05511	1.0
202.02695	1.9
203.03514	24.2
204.04227	6.6
205.04701	0.4
209.06067	0.4
213.05637	1.6
216.04143	0.4
217.05022	0.6
218.05865	2.5
219.03000	0.8
224.08412	0.5
227.07106	0.4
247.02478	7.5
248.02859	0.7
255.10345	0.5
283.17014	0.8
285.18423	1.6
287.16461	0.4
295.17047	1.4
297.18491	0.4
299.16531	0.3
300.17297	2.1
301.18155	1.4
303.19611	0.5
309.18771	0.4
311.16367	0.4
312.17416	0.6
313.18091	28.0
314.15030	1.0
314.18488	3.2
315.15854	1.3
327.16046	0.9
327.19595	5.5
328.20035	0.6
329.17624	2.5
330.18289	1.4
345.20731	22.8
346.21100	3.1
356.16412	0.4
357.17014	2.8
358.17340	0.6
364.97269	0.4
371.18640	10.9
372.19031	2.1
389.19696	26.5
390.20154	3.6
485.21790	0.4
545.23901	0.9
563.25061	20.9
564.25311	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	563.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40044	0.4
59.01385	0.3
69.56197	3.6
71.01386	0.8
77.93384	0.4
79.01915	0.5
88.86237	0.4
89.02458	0.5
91.05544	0.4
93.03481	1.3
95.01392	0.4
105.55746	0.3
117.03486	4.0
119.05054	0.7
133.06636	0.5
135.04549	1.8
145.02965	0.4
147.04543	0.8
149.02406	0.7
149.06088	0.6
159.04549	0.7
161.02475	1.5
163.04001	1.5
175.03990	1.4
177.01877	0.7
177.05540	1.2
179.03511	0.4
189.01967	1.2
189.05544	0.6
191.03529	1.7
191.05481	0.7
203.03508	1.6
205.05093	0.7
217.04967	0.5
221.04500	0.4
223.07538	0.5
233.04469	0.8
242.96387	0.4
253.08722	0.7
267.06671	0.9
268.07492	0.7
271.02490	0.4
281.04688	0.6
282.05298	2.0
283.06207	4.1
293.07803	0.4
295.06149	4.1
296.06873	3.2
297.07693	17.4
298.07965	1.4
306.05258	0.5
307.06134	2.0
309.07703	1.5
311.05582	2.6
323.05597	3.2
324.06516	1.3
325.07190	7.7
326.07574	0.7
328.05911	2.4
335.05533	1.5
337.07153	3.0
341.06570	0.4
351.04944	0.7
353.06686	35.2
354.07010	3.9
355.08102	1.3
356.05469	0.5
365.06696	4.8
366.07053	0.8
379.08228	0.5
383.07715	23.1
384.08145	2.9
395.07715	2.7
397.09332	0.6
407.07266	0.5
413.08606	3.1
425.08777	1.2
429.67258	0.4
443.04150	0.7
443.09860	7.6
444.09985	0.9
455.10013	0.8
473.10855	5.6
474.10794	0.5
485.11011	0.6
503.11908	1.1
545.13055	0.8
563.14124	100.0
564.14526	18.8
564.23694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48528	0.2
57.03453	12.9
58.03794	0.4
59.01381	1.7
60.35168	0.2
61.98835	100.0
62.98536	0.3
64.12003	0.2
70.10192	0.9
71.01398	0.6
81.03484	0.2
85.02985	0.4
88.98828	0.4
89.02477	0.4
89.42812	0.2
93.03468	0.4
99.04538	9.5
100.04916	0.5
101.02459	3.6
101.03092	0.3
102.66560	0.2
113.02457	0.4
116.92873	0.5
117.03484	0.2
125.02467	3.8
125.03300	0.3
135.04567	0.7
137.02469	0.4
138.21408	0.2
140.68590	0.2
143.03520	0.4
161.04626	0.3
163.04021	6.4
164.04358	0.2
173.04611	0.5
175.04016	0.2
178.06377	9.2
179.06772	0.3
191.05682	0.7
193.08720	20.1
194.09038	1.3
226.73982	0.2
245.62016	0.2
271.02545	0.4
301.03299	0.3
341.44324	0.2
342.07016	0.2
419.13681	0.3
464.09729	0.3
493.81244	0.2
499.18091	2.0
579.26044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29623	0.3
53.35707	0.4
59.01130	0.4
59.01382	5.6
69.65809	0.7
69.66216	2.2
71.01389	4.0
73.02928	0.3
83.01409	0.4
85.02958	1.0
87.00883	0.6
88.91078	0.3
89.02457	19.4
91.05524	0.4
92.19843	0.3
93.03457	1.7
95.01397	0.5
101.02470	1.6
106.12330	0.3
109.02956	0.6
109.67462	0.3
111.00967	0.4
111.04525	0.3
113.02454	1.7
114.12625	0.3
116.42794	0.3
117.03474	3.8
119.03540	1.7
119.05080	0.5
121.02993	0.3
133.05084	1.2
135.04524	2.1
137.02441	0.4
143.03493	0.5
147.04559	1.0
149.02446	1.0
158.03798	0.4
159.04526	1.0
161.02472	2.0
161.04567	0.9
161.06021	0.4
163.04001	1.2
173.05991	0.5
175.03995	1.3
177.01984	0.7
177.05554	1.2
179.03415	0.7
179.05655	6.1
187.03882	0.4
189.01917	0.7
189.05664	0.5
191.03574	1.2
191.05630	2.8
203.03490	1.1
205.05029	0.7
217.05043	0.5
219.03053	0.7
221.04478	0.4
224.08444	0.4
225.09169	0.4
237.05452	0.5
245.04494	0.3
251.07132	0.4
253.08655	0.8
253.96938	0.4
267.06531	0.6
268.07355	0.7
279.06488	0.4
281.04565	0.6
282.05350	1.4
283.06128	3.3
292.31796	0.3
294.05222	0.4
295.06140	4.4
296.06927	2.4
297.07681	16.1
298.07925	1.6
307.06180	1.5
308.06601	0.6
309.07700	1.6
311.05615	3.4
314.04517	0.4
323.05688	3.1
324.06293	1.0
325.07208	6.5
326.07489	0.9
328.05789	2.5
335.05789	1.7
337.07141	2.6
339.05450	0.4
341.06586	0.7
351.05170	0.5
353.06671	33.4
354.07013	3.4
355.08405	0.9
356.05374	1.2
365.06601	3.8
366.06805	0.4
381.05856	0.4
383.07718	19.5
384.08099	2.0
386.07330	0.4
387.20154	0.5
395.07669	3.2
413.08783	1.8
425.08829	1.2
430.05051	0.3
443.09848	10.3
444.10107	1.3
455.09833	1.3
473.10907	6.3
474.11575	0.7
485.11020	0.4
545.13092	0.8
546.77515	0.4
563.14111	100.0
564.14465	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	562.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91838	0.2
56.76948	0.2
57.03452	13.2
58.03790	0.3
59.01384	2.3
60.40601	0.2
60.91685	0.2
61.01683	0.2
61.98833	100.0
62.98547	0.2
63.54399	0.2
64.71304	0.2
69.24801	0.2
71.01403	1.1
71.03593	0.4
73.02960	0.3
74.87933	0.2
84.50302	0.2
85.02981	0.5
87.00903	0.3
89.02433	0.4
93.03510	0.7
96.96041	0.2
98.19922	0.2
99.04533	10.8
100.04891	0.3
101.02459	3.8
111.04542	0.2
113.02461	0.4
114.93466	0.3
116.92850	0.5
123.04632	0.2
125.02470	3.5
130.73506	0.2
134.03812	0.2
135.04575	0.9
135.78882	0.2
141.15443	0.2
143.03551	0.6
151.00456	0.3
161.04594	0.6
163.04044	6.8
164.04407	0.4
171.10307	0.3
173.04585	1.6
178.04799	0.5
178.06374	9.1
179.06860	0.5
191.05675	1.9
193.08714	20.6
194.09059	1.2
241.04929	0.3
256.03592	0.3
257.76025	0.2
264.03128	0.3
266.04703	0.2
283.13501	1.0
284.06433	0.4
300.02567	0.3
301.14859	0.2
340.08325	0.6
345.17090	1.0
371.14932	0.5
389.15829	0.5
397.14667	0.2
499.18262	2.7
500.18716	0.4
503.25385	0.3
503.32324	0.5
562.16034	0.2
563.21924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84146	0.2
55.01865	0.3
57.03440	0.7
58.00577	0.3
59.01385	7.5
61.98821	0.9
69.03470	0.3
71.01392	10.8
71.70192	0.5
72.01701	0.3
72.85564	0.3
72.99314	0.5
73.02960	1.9
75.24268	0.3
78.95899	0.3
79.95750	2.6
80.80956	0.3
82.56663	0.2
83.01389	0.8
85.02959	3.9
87.00890	2.0
87.04523	0.3
88.98813	0.4
89.02457	50.9
90.02784	1.0
93.03458	0.9
95.01427	0.4
96.96027	100.0
97.02971	0.8
97.95921	0.4
98.95609	0.4
99.00896	0.9
101.02460	5.4
103.78316	0.3
105.03480	0.3
107.01426	0.5
108.02180	0.6
108.05804	0.3
109.02986	1.1
109.21661	0.3
111.00925	0.4
111.04514	0.4
113.02470	4.0
113.06118	0.4
118.47633	0.3
119.03518	1.9
119.04963	0.4
122.03764	0.5
123.04559	0.6
123.08173	0.7
125.02482	0.8
125.06071	0.5
131.03520	0.5
133.02982	1.2
133.05098	10.0
135.04558	1.1
136.05383	0.4
137.02457	0.5
138.06898	1.6
139.07683	1.2
143.03482	0.3
147.04590	0.5
149.02498	0.4
151.00397	1.8
151.04016	0.3
151.07680	2.9
152.01073	0.4
152.03639	0.6
152.04810	0.7
152.08459	5.2
153.09233	11.3
154.09474	0.7
159.03020	0.7
161.04579	5.7
163.11406	0.4
167.07176	0.4
173.04590	2.2
177.01929	0.5
178.99876	0.6
179.03473	0.4
179.05632	1.0
191.03802	0.6
191.05612	3.5
193.12306	0.5
193.85222	0.3
205.12338	4.9
206.12650	0.4
223.13402	5.2
224.13834	0.7
227.03406	0.3
229.01355	0.4
235.45605	0.3
243.03000	1.2
245.04465	0.3
255.02994	2.8
265.04980	0.3
271.02457	6.5
272.02850	0.7
289.07153	0.4
299.01947	0.4
300.02768	11.7
301.03476	5.6
302.03964	0.7
311.15054	0.4
355.04800	0.5
359.13184	0.3
369.06232	0.6
385.18701	38.2
385.61322	0.3
386.19049	5.4
457.20944	1.1
463.08850	14.4
464.09296	2.7
561.00177	0.8
561.12964	0.6
561.22412	0.4
566.90710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37648	0.3
57.03452	0.7
59.01384	3.4
61.98835	2.7
65.00337	0.5
71.01383	1.4
71.70551	0.4
73.02953	0.5
78.95933	0.9
80.96522	0.3
83.01398	0.7
83.05025	0.4
85.02959	0.7
87.00901	0.6
87.04527	0.3
89.02464	0.9
93.03473	1.8
96.96037	1.5
96.96989	0.8
98.95619	0.8
99.92599	12.3
100.92627	0.7
100.93372	0.7
101.02470	1.0
103.00372	0.4
109.02970	0.7
113.02488	1.0
114.93418	0.5
115.92099	23.1
116.92880	100.0
117.92088	0.5
117.92895	6.6
123.04519	0.4
125.02467	1.0
133.03008	0.5
134.03719	0.4
135.04541	0.7
137.02452	0.9
140.92879	0.6
141.93677	0.8
142.94432	0.6
145.03015	0.3
151.00352	1.3
151.04013	0.3
152.01115	0.3
154.09283	0.3
155.03493	0.4
156.43143	0.3
158.93889	0.5
159.04486	0.3
161.02559	0.7
161.04565	0.3
171.10281	0.8
173.04552	1.3
174.93434	0.4
177.01920	0.5
178.99858	0.7
179.03569	0.3
179.05405	0.4
180.00180	0.4
180.55113	0.3
183.94666	0.6
184.91934	1.5
187.03761	0.4
189.01930	0.4
191.05629	2.5
209.11740	0.4
214.02856	0.7
227.03496	0.4
241.01323	0.9
242.02251	2.5
243.02577	0.5
245.00845	1.0
259.96182	0.4
267.15906	0.5
270.01694	3.0
271.02176	1.2
272.02762	0.5
284.03311	1.6
285.04019	1.9
289.06937	0.3
297.07901	0.7
298.01273	2.0
299.01740	0.8
300.02454	0.6
325.50101	0.3
341.06097	0.3
392.44098	0.3
396.08365	0.4
397.09210	0.4
402.55890	0.5
414.09311	1.1
439.10449	0.3
457.11902	2.1
458.11679	0.6
465.63068	1.6
475.12775	1.9
476.12653	0.7
483.58597	0.5
487.12314	0.8
499.12289	1.2
500.12387	0.4
517.13776	5.1
518.13440	1.0
525.10291	0.6
536.09235	0.3
546.65186	0.3
561.12787	22.9
561.28870	0.9
562.12854	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	560.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01628	0.1
57.03452	3.8
58.81295	0.1
59.01381	2.2
61.98833	1.2
66.91106	0.2
71.01389	0.8
71.69910	0.1
73.02972	0.2
73.34879	0.1
74.33810	0.1
74.72974	0.1
83.01380	0.3
83.05053	0.2
84.59921	0.1
85.02971	0.2
85.96416	0.1
88.98775	0.2
89.02445	0.5
93.03470	0.9
95.79967	0.1
99.04530	1.2
101.02471	1.0
102.03490	0.2
109.02961	0.6
111.04538	0.2
113.02452	0.3
116.92855	0.3
119.03480	0.2
119.05058	0.5
120.04576	9.0
121.02979	5.0
121.04904	0.4
122.03780	0.2
123.04554	0.9
125.02446	0.6
131.03773	0.5
131.07162	1.4
133.02994	1.6
134.02477	0.2
135.04568	0.4
137.02495	0.4
144.04596	0.2
145.02928	0.3
146.06125	0.6
147.04523	0.2
148.04044	1.6
149.04849	8.1
150.05180	0.4
151.00394	0.4
151.04031	0.4
152.01143	0.2
153.01854	0.2
161.02435	0.2
161.04562	0.5
161.05931	0.2
163.07774	0.2
169.01389	0.2
170.42911	0.1
172.01694	0.1
173.04533	0.5
173.06013	0.3
176.03539	0.5
178.99850	0.5
179.03542	0.2
191.05595	0.3
191.64999	0.2
199.07654	0.2
208.07938	0.2
209.06140	0.1
223.27737	0.1
227.07158	2.4
235.28621	0.2
236.07175	1.9
237.07782	0.5
239.05623	0.2
245.08069	0.2
252.06750	0.4
253.07414	0.6
254.08221	100.0
255.08556	9.0
300.02762	0.3
305.08966	0.2
306.23175	0.2
313.10364	0.2
327.12546	0.2
328.12869	0.2
397.09195	0.2
398.12469	0.5
404.14261	0.3
416.13535	14.8
417.13858	2.3
458.14569	4.7
459.14713	0.7
498.17648	0.9
544.52405	0.1
560.16638	1.1
561.18713	0.3
579.69958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18718	0.7
55.24298	0.7
57.03433	1.5
59.01385	1.8
61.98822	2.1
64.60297	0.6
66.79752	0.8
69.78513	0.6
69.78851	5.6
73.02930	2.1
73.12031	0.8
81.03476	2.6
83.05021	5.0
84.77680	0.8
85.75477	0.9
93.03469	24.4
94.03836	0.8
95.01385	1.0
98.20660	0.8
99.04562	0.9
105.62654	0.7
109.75070	0.7
111.04539	9.0
121.06623	1.3
131.05026	1.6
134.03731	4.5
135.02977	1.5
135.04587	0.9
137.02486	14.0
147.04533	5.7
148.05316	1.6
149.06100	18.9
150.06413	1.0
151.42480	0.8
155.03525	8.3
157.02998	1.5
158.03758	6.5
159.04536	81.8
160.04866	5.5
161.02470	3.0
162.03235	2.7
172.05344	8.7
173.02386	0.8
173.04575	3.5
173.06102	9.0
174.03255	5.4
175.04025	59.1
176.04581	5.4
177.05609	22.4
178.05908	1.2
185.06104	4.0
186.06882	1.7
188.04709	0.9
191.05591	1.3
193.04970	1.0
197.15712	1.1
202.02861	0.9
203.03517	100.0
204.03877	7.2
221.04541	1.2
313.21747	72.0
314.22073	8.4
315.19577	5.1
323.20065	1.2
331.22784	44.4
332.23264	4.9
341.21271	6.5
342.21643	1.0
357.20734	14.6
358.20999	1.7
359.07739	60.4
359.22229	1.7
360.08102	8.0
375.21704	2.2
376.22156	1.0
377.08826	16.0
378.09119	1.7
385.15701	1.1
385.20239	12.5
386.20541	2.4
408.20352	0.9
456.45090	0.8
513.24768	5.5
514.25488	0.8
531.25977	76.1
532.26196	13.9
541.24481	7.0
542.24988	1.3
559.25623	13.3
560.25934	3.0
567.28839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01376	1.7
61.98819	3.0
65.03958	1.2
67.01907	1.9
69.03440	0.9
69.38838	0.7
71.01358	1.9
71.18147	2.1
73.02948	2.4
78.95922	2.1
81.03466	1.6
83.05038	4.4
93.03474	42.8
94.03821	1.8
95.01376	1.1
104.02693	1.5
106.29243	0.8
107.04996	1.0
109.02953	2.0
111.04548	13.7
113.02451	0.8
115.05552	1.4
117.03471	0.7
121.06631	0.9
130.04259	1.1
131.05020	1.1
132.02271	1.1
133.02939	1.2
134.03767	4.0
135.04529	1.4
137.02467	17.7
137.03506	1.5
145.02972	1.1
147.04552	4.6
148.05258	1.4
149.06108	21.7
150.06406	1.5
152.99519	1.0
155.03540	11.6
157.02956	1.5
158.03731	11.5
159.04544	92.0
160.01653	1.1
160.04872	5.2
161.02463	3.3
162.03220	3.3
168.28717	0.7
172.05324	10.6
173.02364	1.0
173.04565	24.6
173.06096	9.9
174.03244	6.3
174.04799	1.5
174.06380	1.1
175.04030	64.4
176.04657	6.3
177.05594	32.2
178.05884	1.8
185.06085	5.1
186.06880	1.8
188.04810	1.0
190.02782	1.0
193.05168	1.0
197.19034	1.1
199.17188	1.0
200.04642	0.8
201.01990	1.1
201.03952	0.9
203.03522	100.0
204.03940	7.3
211.13434	2.2
213.05588	1.1
221.04610	1.6
221.90659	0.7
291.24570	0.8
292.06299	0.9
298.19214	0.7
309.15143	0.9
311.20291	1.0
313.21750	81.0
314.22064	10.0
315.16455	0.7
315.19495	4.1
316.20084	1.1
323.20499	0.9
326.15262	8.6
331.22797	55.9
332.23129	6.9
341.17563	2.0
341.21237	11.7
342.21725	1.9
357.16406	0.8
357.20731	15.2
358.21045	2.2
359.07755	62.7
359.22256	3.3
360.08139	6.1
375.21802	6.4
376.22040	1.0
377.08786	19.4
378.09103	1.2
385.16455	10.0
385.20389	11.3
386.16583	1.7
386.20663	1.9
513.25122	4.3
531.25995	76.4
532.26312	15.3
541.24414	7.0
542.24799	2.1
559.16376	1.1
559.25574	16.4
560.14825	0.9
560.25836	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
59.01376	0.8
61.98834	1.1
73.02962	1.0
81.03457	1.1
81.27664	0.4
83.05038	2.2
89.73204	0.3
92.72285	0.4
93.03471	13.2
94.03773	0.4
95.01410	0.5
98.19807	0.9
109.02979	4.3
111.04522	3.4
121.02953	0.5
123.04542	0.7
131.05048	3.1
132.02180	0.4
133.02998	1.2
133.43762	0.4
134.03769	3.0
135.04558	1.5
137.02483	6.4
145.02914	0.6
146.03745	2.7
147.04562	3.1
149.06104	1.8
153.01945	3.0
155.03542	2.4
157.02943	0.6
157.15387	0.3
158.03757	3.8
159.04553	31.3
160.01706	0.8
160.04883	1.8
161.02480	19.9
161.06155	1.1
162.03262	4.9
163.03963	0.8
172.05319	3.4
173.02434	1.3
173.04541	1.8
173.06085	1.2
174.01729	0.6
174.03252	9.7
175.04042	11.5
176.04814	19.9
177.05608	11.4
178.05713	0.4
185.02477	0.7
185.06122	1.8
186.03209	0.8
186.06898	1.5
187.04041	0.9
188.04942	0.9
189.01981	2.0
191.03583	0.5
198.03271	0.8
199.02513	0.6
199.04051	3.2
199.07901	0.4
199.17082	5.8
200.04810	1.7
201.01987	0.7
201.05528	1.6
202.02797	3.0
203.03535	20.2
204.04001	2.0
213.05623	2.8
213.09442	0.5
214.06383	0.9
221.04607	1.7
227.07156	0.6
241.08755	0.5
252.94353	0.4
255.10263	0.7
277.21738	0.4
297.21973	0.5
313.21762	7.3
314.22217	0.8
315.19638	1.7
317.21268	0.5
323.20276	1.8
329.21344	0.5
331.22842	1.3
340.20340	0.6
341.21240	100.0
342.18051	0.3
342.21582	17.5
343.19125	7.9
343.22906	2.2
344.19626	1.6
357.20709	5.0
358.21118	1.1
359.07739	19.3
359.22296	14.3
360.08023	2.3
360.22723	3.0
367.19119	1.1
375.21503	0.6
385.20236	62.3
386.20547	9.5
403.21246	8.6
404.21634	1.4
497.25357	0.7
510.19617	0.4
531.26038	0.5
541.24408	59.6
542.24738	12.5
542.33209	0.4
559.25623	6.9
560.25525	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	559.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33333	0.7
57.03433	1.8
59.01362	2.1
60.99297	2.2
61.41190	0.9
61.98827	3.0
67.01890	6.3
69.03451	1.6
71.01378	3.3
78.95911	1.6
81.03461	1.6
83.05037	1.5
85.02958	1.7
86.15183	0.7
86.83398	0.8
87.00888	12.5
88.98776	0.7
93.03471	46.0
94.03791	1.6
104.02698	11.7
106.47764	0.8
108.02188	1.6
110.40493	0.8
111.04536	7.0
116.79337	0.8
119.04932	0.8
120.02187	2.4
124.83971	0.8
125.13541	0.7
129.01938	1.8
132.02179	4.8
137.02325	0.8
144.02185	0.9
145.03023	2.0
147.04547	1.4
152.99736	0.8
155.03529	2.5
158.03758	4.7
159.04518	1.4
160.01685	1.8
160.81761	0.8
163.56357	0.8
169.02914	3.3
171.04509	2.1
172.01720	1.1
173.02309	2.8
173.04572	46.9
174.04909	2.3
175.04027	2.0
183.04558	2.0
185.06134	1.1
186.03209	7.1
187.03989	2.4
190.02756	3.0
191.05644	2.5
197.02440	2.0
197.06105	0.9
199.04041	4.3
200.01163	5.1
200.04874	1.6
201.01926	10.6
201.88429	0.8
202.02606	1.3
203.03508	0.9
210.03206	6.2
211.04021	2.4
211.13443	1.5
213.01999	4.3
213.05562	9.2
214.02678	1.3
214.06235	1.3
216.04297	1.4
224.04895	1.2
227.03482	5.4
227.07132	0.9
227.21266	0.8
228.04198	2.8
237.05510	1.5
241.08844	1.2
242.09492	1.1
251.07161	0.8
253.16048	1.1
255.06587	1.9
255.10191	1.7
255.17476	2.2
256.10974	1.9
265.15866	2.1
269.08163	7.4
270.08752	3.4
270.12546	2.3
281.15396	3.7
282.16110	1.4
283.09833	7.1
284.10410	6.2
297.11420	2.9
297.14963	5.6
298.12393	1.8
298.15558	5.9
299.16562	5.4
300.16968	1.2
309.14969	9.6
310.15262	1.7
311.12900	2.2
311.16412	1.0
313.18207	1.5
325.14487	2.6
326.15240	55.0
327.15750	13.1
328.16525	0.8
341.13672	1.6
341.17593	13.4
342.17834	2.6
367.15430	0.9
371.15088	3.6
377.08554	0.9
385.16571	100.0
386.16946	16.2
404.13596	0.8
559.21893	55.3
560.22223	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	559.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
60.99293	3.1
61.98822	5.4
67.01884	5.0
69.03459	2.0
70.78092	2.1
70.78468	2.6
71.01391	2.3
75.00843	1.3
78.95897	2.7
80.37637	1.1
83.05045	1.8
87.00887	14.6
93.03473	47.6
94.03822	1.9
104.02706	11.8
108.87550	1.3
109.02959	1.7
111.04522	5.6
120.02174	1.8
132.02188	4.1
144.02200	1.6
145.02934	2.3
147.04491	1.7
152.99594	2.6
158.03751	4.5
159.04524	2.7
160.01697	2.8
169.02953	2.1
171.04578	3.0
172.01736	1.5
173.02309	2.3
173.04584	51.1
174.04927	3.9
182.03598	1.4
183.04568	2.2
186.03290	7.3
187.03958	1.4
190.02766	3.8
191.05598	2.7
197.02484	3.0
199.03989	4.6
200.01146	5.4
200.04768	2.4
201.01967	10.2
203.03485	2.9
210.03261	4.0
211.03944	3.5
211.13412	2.8
213.01944	3.9
213.05605	9.5
218.05846	1.5
227.03433	6.7
227.07034	1.3
228.04141	1.6
241.08655	2.2
242.09406	1.9
255.06549	1.2
255.10384	1.8
255.17493	1.8
265.16113	2.1
269.08197	8.2
270.08810	2.0
270.12491	1.6
281.15363	2.1
283.09756	7.4
284.10333	6.4
293.11578	1.5
297.11502	2.6
297.14999	6.1
298.12265	2.2
298.15640	3.8
299.16501	5.6
300.17050	1.3
309.14954	9.1
313.17978	2.6
313.21307	1.7
325.14465	2.1
326.15271	59.0
327.15762	14.9
341.17636	13.1
352.36227	1.4
371.14917	5.7
385.16580	100.0
386.16977	15.9
538.93042	1.6
559.21881	55.9
560.22058	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	559.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03265	0.8
59.01365	1.9
61.98824	2.9
69.46568	3.6
69.46994	4.7
71.01378	1.2
75.00870	1.6
78.95892	1.3
83.05035	0.8
87.66491	0.9
88.45750	0.9
93.03484	6.1
104.02696	11.6
108.02196	2.3
111.04528	4.7
120.02174	1.4
125.02513	1.0
128.03531	0.8
129.01936	1.4
132.02203	5.2
135.03029	1.8
137.02444	1.8
144.02168	1.4
145.02946	1.2
147.04532	2.3
148.01686	0.9
151.00467	1.0
155.03529	3.9
155.05112	0.7
158.03680	5.4
159.04492	1.9
160.01656	2.6
169.02924	2.4
171.04538	1.8
173.02484	2.8
173.04576	23.4
173.36331	1.0
174.04904	1.2
175.04063	0.9
183.04486	2.2
186.03255	7.6
187.03883	1.2
190.02675	4.9
191.05602	2.9
197.02403	2.8
197.06079	1.3
199.04022	3.8
200.01125	4.5
200.04768	2.5
201.01904	12.8
202.02155	1.1
203.03461	1.1
210.03162	4.0
211.03975	4.1
213.01935	4.0
213.05580	8.4
214.02846	1.7
215.03439	1.0
216.04300	1.2
218.02357	0.9
218.05911	1.0
224.04785	1.2
225.05659	1.3
227.03474	8.4
227.06973	1.5
228.04298	1.9
237.05525	1.2
241.08688	2.4
242.09526	1.2
251.06982	1.1
255.06601	2.2
255.10252	3.6
256.07373	1.0
256.10913	2.2
265.16086	1.4
266.09409	1.0
269.08176	9.4
269.11163	1.4
270.08856	4.0
270.12573	2.7
281.15411	2.5
282.16086	2.4
283.09753	8.1
283.12918	1.3
284.10526	6.7
285.10660	1.2
293.11862	0.9
297.11588	1.9
297.14963	7.3
298.12042	2.4
298.15640	5.4
309.14920	10.8
310.15137	1.5
311.12845	3.1
311.16071	1.0
325.14529	2.4
326.15247	77.5
327.15649	10.7
341.17599	22.7
342.17984	2.3
374.14963	0.8
385.16580	100.0
386.16931	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	559.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49090	0.5
53.59581	0.6
57.03453	7.5
59.01384	7.8
61.98831	4.8
63.02402	10.1
65.00327	11.2
67.01913	0.6
67.44072	0.5
68.99815	0.6
69.76409	1.7
69.76842	2.4
71.01404	3.4
72.99340	0.8
73.02968	1.5
81.03485	1.5
83.01402	11.8
83.05074	0.8
85.02998	1.9
88.98845	1.5
89.02474	2.3
89.84517	0.6
93.03478	6.8
95.01422	2.1
96.96065	0.9
99.00947	0.6
99.04543	5.2
101.02479	4.1
107.01410	22.5
107.02129	1.2
107.88116	0.5
108.01656	0.7
108.02280	0.9
109.02982	4.0
111.00927	1.2
111.04572	1.6
113.02505	1.5
115.06828	0.7
119.03480	1.0
119.05052	6.1
120.05392	1.7
121.02982	4.6
123.00921	2.3
123.04577	0.8
124.01683	9.1
125.02475	20.0
126.02803	0.9
127.04085	0.7
133.03029	1.1
135.04582	3.0
137.02477	4.0
138.03262	2.4
139.00479	0.7
145.06580	1.0
147.04555	6.4
149.02431	1.1
150.03340	0.5
151.00401	87.5
152.01204	16.8
153.01991	6.1
155.03465	1.5
159.04561	4.2
160.05305	3.3
161.02477	4.0
161.04631	1.1
161.06099	2.4
163.00392	1.9
163.04033	5.1
163.07663	7.0
164.01118	1.2
164.04431	1.9
165.01987	0.8
169.01460	15.5
170.01805	0.9
172.05350	1.3
173.04572	3.1
173.06117	9.7
174.03246	1.1
175.04016	1.7
175.07713	1.1
176.04788	0.6
177.01991	1.7
177.05588	0.6
177.13803	0.5
178.99889	100.0
180.00249	5.2
181.01469	1.8
184.05460	0.8
185.06146	0.6
186.03284	0.8
187.04030	2.6
187.07683	2.8
188.04703	2.7
189.01976	1.1
189.05605	7.1
190.02669	1.1
191.03615	0.9
191.05632	3.3
192.00642	1.8
193.01437	1.2
197.06102	1.0
199.04005	0.7
199.07663	2.3
200.04785	4.8
201.05571	1.9
202.02737	0.6
202.06316	0.9
203.03577	1.3
205.01546	1.1
211.07779	0.6
212.04919	1.2
213.05614	0.8
215.03798	1.1
215.07144	27.7
216.04256	1.4
216.07622	2.7
217.05051	2.5
217.08676	4.8
219.06548	0.5
225.05540	2.1
226.06331	0.9
227.03557	0.6
227.07121	4.0
229.05180	0.7
231.06671	1.1
232.03773	1.5
235.06055	0.7
235.13403	0.9
239.07220	0.7
241.04950	3.1
241.08739	1.0
242.02301	1.9
242.05780	1.5
243.02939	1.5
243.06522	3.5
244.03642	0.7
249.05731	0.7
253.04980	5.3
254.05704	1.9
254.08139	0.8
255.03014	2.4
255.06572	1.1
264.04263	0.6
265.04959	1.2
265.08728	0.8
267.06668	1.4
268.07361	0.9
269.04712	1.6
269.08215	2.4
270.01700	0.8
270.05151	0.8
271.02512	6.3
271.06094	9.5
272.03040	1.0
272.06308	0.9
278.05789	0.7
279.06512	1.6
280.07364	1.4
281.04507	0.9
281.08185	0.7
282.05283	2.3
283.05920	1.0
283.09402	0.7
285.04108	0.7
287.02054	0.6
291.06464	0.8
292.07300	0.7
293.05051	0.7
293.08105	2.9
295.06216	0.8
295.09644	0.9
296.03384	1.1
296.06573	1.3
297.07660	7.5
298.08020	0.6
299.01901	2.2
300.02765	11.4
301.03305	1.9
305.08206	0.8
309.07608	1.3
310.08676	0.9
311.09277	2.5
312.09991	4.5
322.04910	1.2
323.05600	0.7
323.09286	0.7
325.07175	2.0
327.08951	1.1
327.12375	6.9
328.12448	0.6
333.07657	3.3
334.08292	1.0
335.05545	0.7
335.09323	1.2
336.06400	2.0
337.06848	0.9
339.08832	0.7
341.06573	0.6
350.04230	0.6
351.04773	0.7
351.08752	1.7
353.06656	8.9
353.10556	1.1
354.06989	1.7
359.15131	5.0
361.07025	1.4
363.04883	0.7
367.08240	0.9
369.06155	6.7
370.06628	0.7
371.11328	6.3
372.11588	1.0
377.06720	0.8
378.07343	2.2
379.03723	0.9
379.08313	10.5
380.08649	1.6
385.13470	0.6
395.07886	3.4
396.08151	1.0
397.09314	73.9
397.18338	4.0
398.09644	9.6
403.14038	16.5
404.14236	1.6
412.08011	2.3
413.08780	3.7
424.33987	0.6
433.11557	3.2
497.10709	1.5
523.35101	0.8
524.28400	1.0
527.15826	2.7
559.14471	86.0
559.32727	6.5
560.14746	16.3
560.32660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62586	0.9
57.03444	3.7
59.01385	38.1
60.51345	1.0
60.99313	1.2
61.98826	0.9
67.01903	2.9
68.16566	0.8
69.03459	1.9
69.68384	6.7
69.68821	1.6
71.01394	6.7
71.05023	5.2
71.41254	1.1
72.97538	3.3
78.95920	1.9
81.03470	2.2
83.01400	2.5
83.05031	1.5
85.02956	6.6
87.00891	2.8
88.98808	1.0
89.02494	2.0
93.03471	22.1
96.96037	5.1
96.96984	4.2
97.02981	1.8
99.04528	12.7
101.02450	5.0
111.00921	1.9
111.04560	5.7
113.02457	1.5
116.99583	0.9
117.05598	100.0
118.05933	2.9
125.02465	2.7
127.04082	1.3
133.02956	1.6
134.03749	2.3
135.04546	59.2
136.04892	2.9
137.02489	5.7
146.08252	2.9
155.03563	6.1
159.06651	51.4
160.06937	2.3
161.02455	3.4
161.04483	1.2
173.04575	87.8
174.04897	4.8
179.03522	59.0
180.03831	4.0
191.05638	54.8
192.06001	2.0
203.02055	2.4
208.64618	0.9
220.81087	0.9
283.31308	1.0
353.08801	78.9
354.09137	9.5
439.17725	4.9
440.17883	1.6
557.13910	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	557.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98832	100.0
62.98545	0.2
62.99257	0.1
70.22838	0.1
70.23135	0.4
78.95908	0.7
93.03491	0.1
98.19904	0.1
122.97126	0.1
143.91507	0.1
152.99661	0.2
155.00163	0.1
166.59612	0.1
173.04585	0.2
191.05670	0.3
194.42860	0.1
209.22357	0.1
255.23294	1.6
256.23636	0.7
257.23868	0.5
258.00293	0.1
258.24271	0.2
277.42572	0.1
328.61093	0.1
382.71277	0.1
480.31079	1.3
481.31509	0.3
482.31674	0.3
483.32077	0.7
557.32172	0.5
558.32361	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	559.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.9
59.01382	7.8
61.98825	4.3
62.40114	0.5
63.02399	8.5
64.02738	0.6
65.00327	11.0
67.60501	0.5
69.59056	4.3
71.01396	3.2
72.99310	0.7
73.02968	1.7
78.20294	0.6
81.03478	1.0
83.01393	11.6
83.05051	1.0
84.01756	0.6
85.02977	2.0
88.98822	0.9
89.02463	3.0
93.03472	6.1
95.01411	1.6
96.77900	0.5
96.96037	0.9
98.20580	0.8
98.70396	0.5
99.04528	3.3
101.02454	3.0
107.01410	24.5
107.05024	0.6
108.01677	0.7
108.02294	0.6
109.02967	3.8
111.00896	1.7
111.04550	2.4
112.39597	0.5
113.02464	1.9
119.05044	6.1
120.05376	2.2
121.02969	9.5
122.03230	0.6
123.00915	1.6
123.04556	0.7
124.01698	6.3
125.02473	20.8
133.03000	0.6
135.00946	0.9
135.04559	1.5
137.02454	4.5
138.03268	2.4
139.00291	0.7
139.04065	0.6
143.03496	0.5
145.02939	0.6
147.04543	5.2
149.02477	0.8
150.03262	0.6
151.00398	77.6
152.01199	17.2
153.01988	5.7
155.03528	1.2
158.03685	0.6
159.04507	3.5
160.05348	2.7
161.02495	2.5
161.06087	1.0
163.00395	2.2
163.04053	6.1
163.07660	6.2
164.01114	1.2
164.04349	2.8
165.02036	0.6
169.01450	14.9
171.04555	0.6
173.04568	2.6
173.06084	7.7
174.03246	1.1
174.06645	0.6
175.03946	1.9
175.07594	0.6
177.01974	2.9
178.99881	100.0
179.27429	0.5
180.00220	4.7
181.01425	1.2
182.99174	0.5
184.71504	0.5
187.04008	2.2
187.07657	2.6
188.04797	1.8
188.07173	1.3
189.01953	1.7
189.05620	5.5
189.07378	1.2
190.02737	1.4
191.03462	1.0
191.05614	2.8
192.00719	1.3
193.01410	1.9
197.06056	0.9
199.07617	2.2
200.04800	4.1
201.05586	2.0
202.06328	2.4
203.03531	1.9
203.07106	0.9
206.08344	0.5
212.04739	0.7
214.02612	1.3
215.07149	27.3
216.04282	1.2
216.07616	2.8
217.05042	2.3
217.08698	4.4
219.03011	0.6
219.06522	0.9
220.03816	0.9
225.05608	2.5
226.06335	0.8
227.03516	1.1
227.07100	3.2
229.01343	0.6
232.03726	1.8
235.13391	1.1
239.03345	0.6
239.07184	0.9
239.29825	0.6
241.01295	0.9
241.05077	3.1
242.02060	1.2
242.05858	1.2
243.03020	1.2
243.06659	3.4
252.04259	0.7
253.05089	5.2
254.05655	2.0
255.02968	2.0
255.06602	1.3
263.07077	0.9
264.04233	0.9
265.05154	1.0
265.08670	1.1
267.06552	1.5
268.07114	0.7
269.04715	1.0
269.08136	1.7
270.01669	0.9
270.05215	1.0
271.02478	4.5
271.06076	8.9
272.03006	0.9
272.06384	0.6
278.05887	0.7
279.06522	1.1
280.07458	1.2
281.04645	1.1
281.08066	1.0
282.05313	1.5
283.09656	0.8
291.06696	0.9
293.05081	0.7
293.08319	2.8
294.05380	1.2
294.08521	0.7
295.05997	0.9
296.03403	1.0
297.07590	5.1
299.01929	2.4
300.02753	11.5
301.03293	0.8
305.08255	0.6
309.03946	0.8
309.07574	0.9
311.09140	2.5
312.09943	3.5
321.04065	1.0
322.04681	1.8
323.09067	0.7
325.07114	2.0
327.12372	5.8
333.07748	2.7
334.08002	0.9
335.09125	1.3
336.06421	1.4
351.08670	1.3
353.02524	0.8
353.06653	9.3
353.10504	1.1
354.06766	1.1
359.14999	4.1
361.07254	1.1
369.06177	6.3
371.11441	5.5
372.11810	0.6
377.14313	0.7
378.07272	2.1
379.08234	9.9
380.08588	1.2
385.13220	1.1
395.07629	3.0
396.08157	1.5
397.09305	71.8
397.18417	5.5
398.09625	11.6
403.13937	13.0
404.14240	1.4
412.07913	1.5
413.09012	3.1
433.11737	3.1
524.28296	1.1
527.15289	3.0
559.14502	79.7
559.32941	4.0
560.14893	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32385	1.4
54.70975	1.7
57.74497	1.4
59.01388	3.6
61.98835	76.3
65.00339	2.9
67.41814	1.7
71.01383	2.3
71.70245	1.4
78.95903	2.5
93.03477	4.0
96.49809	1.3
115.42205	1.3
121.02987	4.1
133.02980	17.6
135.00902	3.6
135.04530	3.0
136.98851	3.5
137.02493	2.2
163.00371	5.0
164.01147	6.5
164.98296	4.3
173.04614	2.7
179.86565	1.4
191.05609	6.9
199.04028	19.1
201.02007	4.1
227.03520	7.5
228.04282	2.1
243.03006	5.0
255.02982	3.0
271.02444	13.9
272.03027	2.0
299.01996	100.0
300.02725	64.1
301.03101	8.6
313.03537	3.5
493.11420	76.5
494.11832	15.8
556.24963	2.5
556.32941	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	554.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22350	0.2
55.01891	0.2
59.01379	23.2
60.01717	0.2
60.71283	0.1
61.35278	0.1
61.98831	0.5
64.83500	0.1
73.47585	0.1
77.16779	0.1
78.95910	17.7
79.31225	0.1
96.96980	0.4
103.23716	0.2
109.02956	0.1
114.98560	0.2
122.98552	0.6
151.24986	0.2
152.99606	2.9
168.04344	3.3
191.05637	0.3
211.13058	0.2
224.06937	8.1
225.07297	0.5
227.71703	0.2
229.77501	0.2
237.22246	0.2
242.07979	2.0
255.23286	100.0
256.23627	9.3
275.16580	0.2
480.30936	69.8
481.31287	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	555.2244
Annotation	pyrochlorophyllide
Peak:m/z	Relative Intensity
58.25895	1.9
59.01369	2.8
61.98831	14.8
69.83515	1.9
71.01380	9.8
73.02954	5.3
73.50347	1.7
73.74409	1.6
78.95912	1.6
88.98820	3.0
93.03462	7.4
99.00900	4.0
107.05083	2.7
108.02150	3.4
109.02969	57.5
110.03294	2.9
111.00890	3.2
115.00397	19.9
117.01960	5.6
117.03493	3.0
120.60661	1.7
121.02988	9.3
122.03780	12.1
123.04580	9.9
124.00414	4.0
126.02029	2.6
131.05042	2.5
133.02979	5.7
134.03716	1.8
135.04553	28.2
137.02475	34.4
137.06090	6.6
138.03253	4.9
139.04027	4.3
141.18919	1.7
145.02994	6.4
146.03769	22.8
147.04565	28.4
148.05353	16.1
149.02454	14.8
149.06114	51.8
150.03271	17.4
150.06471	2.3
151.04036	5.7
151.07629	1.9
154.02740	3.2
159.03157	3.2
159.04536	9.9
160.05289	3.0
161.02493	24.9
161.06108	9.7
162.03261	61.5
163.04042	26.8
163.07660	8.5
164.04764	7.4
165.01985	13.8
165.05579	9.5
167.03560	9.3
171.04575	2.9
171.13937	14.2
172.05278	4.6
173.02457	7.1
173.04591	6.6
173.06104	10.8
174.03250	7.7
175.04036	13.0
175.07658	3.4
176.04729	2.0
177.02000	3.8
177.05571	19.3
178.02740	3.1
178.06386	2.4
179.03499	3.3
184.02623	1.9
185.06125	2.6
187.04048	7.8
188.04816	4.6
189.02110	2.7
189.05528	6.2
190.06331	2.0
191.03656	2.4
191.05603	6.4
191.07208	7.0
193.05052	2.5
197.15448	5.2
201.05576	7.2
202.06384	6.7
203.07140	8.9
213.09111	1.8
214.78745	2.0
216.06454	2.2
237.05537	2.7
241.05080	3.0
242.05806	3.5
243.06429	2.2
247.06105	4.3
253.05057	3.3
254.05875	10.5
254.26526	2.1
255.06622	7.0
263.16562	4.5
265.05164	2.4
266.05740	6.6
267.06467	9.0
268.07135	2.8
269.04562	4.3
269.08258	8.3
271.17084	2.4
275.07385	2.2
275.16571	14.8
276.07892	1.9
276.17303	14.3
277.17990	6.4
279.06665	6.4
283.06003	3.4
285.18729	2.3
287.16614	4.4
289.18167	16.0
290.18701	5.1
291.19571	8.2
293.08194	8.0
294.08765	4.9
295.09717	18.9
297.07693	5.9
299.16440	3.0
300.17288	15.9
301.18100	43.1
302.18387	4.5
303.16055	2.3
304.16748	7.5
305.17633	2.4
313.10837	24.6
313.18082	5.4
314.11298	2.7
315.19748	3.6
316.17044	2.4
317.13858	3.0
317.17575	56.8
317.20856	2.8
318.18021	12.3
319.19153	20.8
322.08478	2.6
327.19647	18.0
328.20172	3.1
329.21262	8.3
339.08682	2.4
339.19669	7.8
340.20065	2.4
345.20557	2.8
357.20813	3.5
373.20242	4.1
401.19727	6.8
409.20297	9.2
411.21823	4.6
421.20041	12.3
422.20407	2.8
431.22281	5.8
434.21790	2.0
439.20135	7.4
439.25815	31.6
440.25787	4.0
449.23340	73.0
450.23730	14.1
465.22476	2.8
467.24408	80.5
468.24808	18.5
493.22083	3.1
511.23441	5.4
512.23462	1.9
527.23053	10.2
528.23438	3.6
555.22443	100.0
556.22906	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	553.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82081	2.0
61.98834	100.0
102.24399	2.5
115.64837	2.4
140.99854	2.0
164.10837	3.2
169.15944	4.8
196.53673	2.3
207.17542	11.1
209.19043	5.7
264.23264	5.9
281.28287	3.8
292.26480	7.0
300.43655	2.3
361.31177	6.2
446.40015	93.5
447.40204	21.2
527.44141	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	554.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21818	0.2
58.40211	0.2
59.01373	0.9
61.98826	1.0
71.70116	0.4
78.95912	5.6
93.03494	0.3
128.94319	0.2
152.99608	1.0
168.04362	1.6
191.05670	0.2
196.80058	0.2
224.06958	1.0
242.07990	3.0
261.22034	0.4
277.21860	0.3
279.23303	100.0
280.23660	12.2
280.26093	0.2
286.59741	0.2
296.06592	0.3
327.97519	0.2
504.30981	39.3
505.31332	7.3
538.90479	0.2
555.22357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51365	0.5
57.03415	0.5
59.01360	1.0
61.98843	3.8
70.54433	1.3
71.01388	0.6
77.79695	0.4
78.95914	22.8
83.05045	0.3
85.02943	0.6
87.00887	0.6
88.98870	0.3
93.03465	1.6
96.96888	0.6
101.02418	0.5
111.04530	0.7
152.99617	2.9
153.02071	0.5
155.03519	0.4
155.42215	0.4
168.04329	3.4
173.04543	1.4
191.05635	3.9
201.05640	0.4
202.06342	0.6
224.06961	8.8
242.07977	2.2
261.22174	0.6
277.21793	1.2
279.23294	100.0
280.23660	11.0
283.13373	1.3
297.11771	0.5
327.15930	0.5
345.17242	0.6
370.72168	0.4
404.14313	0.4
415.16046	0.8
415.66232	1.2
504.30960	79.3
505.31332	14.2
529.25531	1.1
529.75769	0.6
545.26782	3.9
545.76746	2.1
546.27209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01379	1.4
61.98838	3.3
71.01382	0.8
71.58979	1.0
76.21642	0.3
80.58170	0.3
81.03479	0.4
83.05022	0.6
85.02962	6.2
87.00911	1.2
93.03469	3.8
108.02196	0.7
109.02979	1.2
110.03283	0.3
111.04533	1.4
117.03474	0.5
122.03761	0.4
123.04561	1.8
127.04041	1.9
132.02196	2.9
133.02989	8.4
134.03755	1.4
135.04562	6.6
137.02481	1.4
146.03746	0.6
147.00908	0.4
147.04524	0.5
148.01807	0.7
149.02486	0.5
150.03252	0.4
153.05583	0.4
155.03543	0.9
159.04564	0.8
160.01738	1.0
161.02472	7.8
162.03163	0.4
171.02986	0.6
173.04617	2.2
174.03290	1.3
175.04005	2.3
176.01205	0.6
177.01990	0.3
188.04890	0.4
189.01840	0.5
190.02922	0.4
191.05638	47.7
192.05936	2.5
197.05952	0.3
198.03334	0.4
202.02757	0.8
203.03496	0.6
213.02003	0.3
215.03513	0.9
225.05609	0.4
229.01465	0.7
230.02211	0.4
233.19235	0.5
243.02881	0.5
270.33685	0.4
271.17123	0.7
273.18472	0.4
277.18088	1.0
285.18665	1.2
287.16522	11.0
288.16913	1.1
289.18140	6.2
290.18549	0.8
291.16150	0.6
297.14926	0.9
299.16367	0.5
303.19699	0.7
305.17667	2.5
306.18005	0.5
315.16064	4.2
316.16327	0.6
317.17590	10.4
318.17880	1.1
319.15463	0.9
325.14438	0.9
329.17606	0.5
331.15491	1.3
333.17017	0.4
335.18402	1.9
343.15527	100.0
344.15845	10.9
349.16479	0.5
361.16531	3.5
362.17017	0.5
369.16794	0.4
379.17664	2.5
399.07092	1.2
417.14154	0.4
523.22058	1.0
525.21222	3.4
526.21594	0.4
535.21857	29.5
536.22089	4.9
553.22571	4.8
554.23004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86557	0.5
59.01372	0.6
59.57233	0.4
61.98835	15.1
69.03466	1.3
69.87605	0.7
69.87961	3.8
70.30532	0.5
71.01392	1.3
75.00872	3.9
93.03465	1.1
98.02478	1.1
109.02971	1.5
115.00375	2.1
123.04566	0.8
132.26201	0.6
135.03012	1.6
135.04514	1.0
137.02441	0.9
148.91788	0.7
150.03194	0.6
159.04492	1.5
161.06078	1.2
173.04530	1.1
173.06071	0.7
187.04039	1.6
191.05629	1.4
201.05481	0.8
211.04150	0.8
212.04712	1.8
218.08223	2.4
222.18636	0.9
224.04721	0.7
225.05565	2.6
226.06326	0.7
236.07155	0.9
237.05531	1.0
239.03488	0.8
239.07141	1.4
239.72800	0.6
240.04297	8.8
241.05003	5.0
248.16496	0.8
249.05524	0.8
252.15976	1.0
253.05063	16.1
254.05629	3.4
254.07993	0.5
255.02850	1.1
261.05615	0.6
262.06253	0.6
263.07162	1.8
264.04333	0.8
264.07736	0.7
265.05011	2.4
266.05704	1.8
267.06583	4.7
268.03732	2.0
268.07016	0.9
269.04544	15.8
270.04898	1.0
275.07123	0.6
277.04984	1.0
279.06662	2.3
280.07416	2.0
280.15588	2.1
281.04590	8.2
281.08200	14.4
282.05389	11.4
282.08600	2.0
283.06122	2.6
283.09644	3.6
284.10016	0.7
289.17923	0.8
290.05951	0.7
291.06616	5.0
292.07474	2.2
293.04541	1.8
293.08200	2.3
295.06030	1.8
300.69345	0.5
305.17816	0.6
306.17166	0.7
307.06030	3.4
308.06958	1.7
309.07660	8.1
310.08209	3.8
311.09329	1.5
317.17709	0.9
319.06235	0.9
325.07196	5.4
326.07602	1.0
336.06277	0.7
337.06958	1.2
353.06274	0.7
354.07416	2.1
372.16986	0.9
372.21774	18.1
373.22256	2.3
381.06250	1.2
394.17554	1.3
395.18658	2.3
396.19080	0.7
398.06464	11.5
399.07178	8.8
400.07773	1.0
400.21225	1.0
407.18539	2.2
409.19653	0.6
431.18628	1.3
437.19614	1.4
447.21790	4.6
463.20691	0.7
465.22873	1.1
491.20673	1.5
507.19583	0.7
525.21246	4.6
535.19397	0.8
553.20764	100.0
554.21191	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01381	0.6
61.01050	0.6
61.98828	7.4
69.03461	1.0
69.44607	0.7
69.45014	4.6
71.01392	1.2
73.02945	0.7
73.82890	0.4
77.54027	0.5
81.03470	1.5
83.05048	4.0
85.02958	1.1
87.00901	0.8
88.98813	1.0
93.03465	9.7
99.00914	0.5
99.04537	0.8
99.92621	0.5
101.45690	0.4
108.02229	0.6
109.02979	2.0
111.00898	4.2
111.04538	13.2
111.75556	0.5
112.04870	0.7
113.02473	0.9
115.92142	0.5
118.11310	0.5
118.98110	0.6
121.20311	0.4
127.03966	0.6
134.03775	2.2
135.04543	15.8
136.04857	1.3
137.02458	2.6
143.03520	0.7
149.83293	0.5
155.03528	12.7
161.02516	1.3
167.03497	1.0
173.04565	3.9
179.03513	9.8
180.03909	0.9
191.05650	4.9
199.04190	8.0
205.03201	0.5
216.99242	1.0
217.05252	7.3
259.06287	2.4
285.07687	0.5
287.05817	4.4
313.07114	0.7
327.08917	1.3
355.08395	0.9
361.07440	1.1
372.09836	1.3
373.09509	48.6
374.09924	4.3
379.08682	0.5
391.05212	1.1
391.10544	21.1
392.10992	1.8
553.13745	100.0
554.14197	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	553.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95395	0.8
54.35638	0.6
57.03457	3.5
58.02966	1.5
59.01383	34.6
61.98832	6.0
67.01882	0.8
68.57723	0.7
70.02979	9.4
71.01389	6.6
71.05026	18.1
72.99295	1.0
73.02947	1.9
74.00701	5.3
82.02980	2.7
83.01392	4.6
85.02940	2.9
85.06609	6.9
87.00893	1.1
87.05670	3.6
88.98794	2.7
89.02457	4.5
93.03471	8.4
95.01392	0.9
99.04531	9.7
99.92580	0.8
101.02454	5.4
108.02214	1.0
109.02975	1.5
110.00726	1.6
111.04523	2.1
111.05686	2.5
113.02447	3.1
113.06113	7.6
115.05125	1.3
116.07169	3.2
116.92860	4.1
119.03524	1.3
121.03014	0.8
123.04565	1.5
125.02457	2.3
125.51199	0.6
128.01785	28.3
129.02171	0.7
129.05594	1.7
130.03340	7.5
131.07162	71.1
132.07503	3.1
133.02975	6.2
134.03729	2.2
135.04546	41.7
136.04842	2.0
137.02486	4.1
145.04427	4.1
146.08253	92.0
147.06013	2.5
147.08604	2.0
152.01183	1.0
155.03474	1.9
159.87355	0.7
161.02469	24.7
161.04543	1.6
162.02844	1.7
167.03476	2.8
169.01431	0.9
173.04593	5.7
173.08202	35.5
174.08537	1.8
179.03511	33.5
180.03879	3.5
181.05144	0.8
186.93526	0.8
191.05652	8.3
199.04089	0.9
217.11954	16.1
218.12474	0.7
245.04785	0.7
247.16438	0.8
275.10706	100.0
276.10992	6.5
277.12280	77.6
278.12555	5.6
335.07742	54.1
336.08267	5.0
391.16260	1.4
493.22818	4.8
553.14807	1.7
553.23199	0.9
553.31604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72821	0.2
61.98835	100.0
62.98544	0.3
71.03142	0.2
71.03480	0.4
86.41578	0.2
125.38020	0.2
145.25931	0.2
149.46703	0.2
150.16745	0.2
197.15358	0.3
234.86499	0.2
262.99921	0.2
311.61215	0.2
344.98770	0.2
391.48245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74090	0.6
53.93049	0.7
54.33998	0.6
60.99025	1.0
60.99308	13.7
67.41824	0.8
70.46835	1.0
70.47189	2.9
80.55875	0.7
83.01319	0.7
88.98817	91.1
89.02449	0.7
89.99155	1.3
98.20020	0.8
106.30933	0.7
107.01398	1.3
108.02187	0.8
109.03009	1.0
120.84320	0.7
121.02978	1.0
151.00395	7.2
163.00412	1.1
178.99860	2.8
226.02586	1.1
227.03468	1.3
243.03008	4.4
244.03534	1.0
254.02129	1.5
255.02979	15.0
256.03497	1.1
271.02463	30.8
272.02780	3.0
273.04282	0.8
300.02765	66.2
301.03479	32.7
302.03815	1.7
320.56323	0.9
353.46307	0.8
463.08820	100.0
464.09143	14.3
482.29791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.5
59.01381	1.8
61.01006	0.3
61.98822	0.9
67.01899	3.8
69.03462	0.4
71.01390	1.6
71.61568	0.5
73.02967	0.3
83.01407	1.0
83.05035	0.4
85.02962	8.2
85.40088	0.3
87.00900	1.4
88.98816	0.8
89.02473	1.1
93.03471	5.4
95.83187	0.3
96.96021	0.5
99.04517	0.3
101.02464	1.1
104.21820	0.3
109.02988	0.7
111.00902	100.0
111.04514	1.6
112.01231	3.8
113.02482	0.6
116.92860	0.5
118.98114	0.4
119.03522	0.4
120.99689	0.6
123.04563	0.3
125.02445	0.4
128.03561	0.4
129.01968	3.1
130.08774	0.8
133.02954	1.2
134.03761	0.6
135.04544	5.9
136.04831	0.4
137.00558	0.3
137.02458	1.9
147.04578	0.4
154.99890	2.2
155.01555	0.9
155.03557	2.3
156.03793	0.3
161.02472	3.4
161.04276	0.9
161.08191	0.4
162.02939	0.3
172.09857	0.7
173.00960	2.9
173.04584	9.2
174.04893	0.5
179.03535	3.5
179.05249	0.4
183.03557	0.3
191.05638	8.6
192.05984	0.6
199.04202	1.0
205.03149	1.0
217.01707	2.9
217.05255	5.3
266.57355	0.3
295.06152	0.5
339.04996	1.1
353.09134	0.4
361.07428	2.3
373.05743	1.2
373.09662	0.7
379.08441	1.6
391.06900	2.2
513.10358	0.7
535.09155	0.6
553.10004	66.7
554.10516	12.0
554.19299	0.7
574.22162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01381	4.6
59.98165	0.5
60.99308	14.9
61.98825	2.6
71.01398	2.0
71.70486	0.6
73.02943	0.6
76.28401	0.5
78.95913	2.7
85.02963	1.1
87.49011	0.4
88.98817	100.0
89.02451	0.5
89.99147	1.3
93.03471	0.9
99.00914	0.5
99.04556	0.8
101.01838	0.4
101.02472	0.8
113.02457	0.7
115.92098	1.7
116.92094	0.6
119.62914	0.4
125.02493	0.4
134.03743	0.5
137.02428	0.8
151.00391	0.8
152.99594	0.7
153.01996	0.6
155.53189	0.4
161.02440	0.5
166.02650	0.5
171.00688	0.7
173.04601	1.4
178.99783	0.4
179.05649	0.4
181.05043	0.7
191.05653	2.3
209.11919	0.6
389.16125	2.2
424.52368	0.5
432.26422	0.4
446.14920	0.7
465.09763	0.5
551.20612	0.8
551.34326	1.6
552.19800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89789	0.3
58.17217	0.2
59.01372	1.8
59.96276	0.2
60.36947	0.2
61.98808	0.7
62.69089	0.3
69.82709	0.9
69.83121	0.7
71.01394	0.4
78.95461	0.5
78.95912	7.9
81.24305	0.2
91.26089	0.3
135.04544	0.6
149.04599	0.3
152.99593	1.2
162.03235	0.3
163.03973	0.3
168.03105	0.3
168.04320	1.7
175.03973	0.3
176.23016	0.3
182.38124	0.3
224.06952	1.3
233.22839	0.3
242.07977	2.7
242.12189	0.3
259.20825	0.4
275.20135	0.5
277.21732	100.0
278.22073	10.5
447.22006	0.4
465.22501	0.6
502.29407	44.9
503.29791	7.5
566.42267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
61.98833	10.8
70.81399	1.7
71.01392	0.8
72.26614	0.6
78.95913	33.7
93.03489	1.3
96.96976	0.7
99.72087	0.6
110.71405	0.6
111.76713	0.7
131.62575	0.6
152.99593	5.4
168.04353	3.8
173.04523	1.1
178.99869	0.8
191.05614	2.3
224.06944	11.9
242.07948	3.2
253.21736	22.7
254.22040	2.0
259.20642	0.7
277.21735	99.2
278.22086	11.0
289.68335	0.7
299.01953	1.3
366.42743	0.6
407.19556	0.6
478.29477	8.9
479.29700	0.8
502.29398	100.0
503.29767	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	551.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91536	0.5
59.01376	1.7
61.98831	2.0
69.03486	0.7
71.01388	1.2
78.95927	0.7
83.01397	0.7
85.02952	0.8
85.66190	0.5
89.03982	2.0
93.03495	1.9
94.42943	0.6
101.02477	0.8
106.04277	0.7
107.01447	0.8
107.05074	1.0
109.02977	1.8
112.14766	0.5
117.03487	6.1
121.02969	1.6
123.00928	1.3
123.04519	1.3
124.01695	0.6
125.02466	1.4
132.02203	2.3
133.02977	8.2
133.03906	1.0
134.03769	78.7
135.04582	26.9
136.04887	0.9
137.02469	8.6
139.04019	1.3
142.99127	0.5
147.04533	1.7
148.05290	0.8
149.02454	0.7
149.06113	7.9
150.03249	1.6
151.00432	4.3
152.01198	3.2
153.01964	1.6
155.03630	0.6
159.04507	1.2
160.01691	6.4
160.05342	0.6
161.02486	12.0
162.03101	0.7
163.04007	1.4
165.05652	1.2
167.03542	2.7
173.04620	1.3
175.02934	0.5
175.04060	5.4
175.07744	0.6
176.04735	1.2
177.01894	0.7
177.05519	1.1
178.02711	7.5
178.99947	2.1
179.03522	24.1
180.03932	0.9
187.04065	0.7
188.04800	2.3
189.05527	0.9
191.03729	0.5
191.05666	2.2
192.04285	1.1
193.05083	37.7
194.05478	2.2
203.07167	1.3
204.04341	0.8
205.05222	0.6
206.05811	2.8
207.10141	0.7
209.11852	5.5
210.12233	0.6
211.13353	0.6
217.01460	0.6
221.08191	1.6
253.09290	0.8
254.72533	0.6
281.04834	0.5
297.64960	0.6
299.02057	1.0
312.10049	0.7
328.10611	3.4
328.60666	1.6
341.06522	0.6
341.10602	0.7
342.11093	2.1
343.11765	1.0
357.13474	3.5
384.10440	1.9
427.14142	0.8
445.07971	0.6
446.14996	1.3
470.12335	0.6
530.67053	0.6
536.16791	2.4
537.16418	0.6
551.19208	100.0
552.19543	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	550.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59671	1.8
59.01375	7.5
59.67929	1.9
61.98840	28.9
63.59747	1.9
65.88931	1.7
70.53989	4.3
70.54360	3.8
71.01385	7.8
73.02931	1.9
85.02943	3.1
93.03458	10.2
108.21234	2.2
109.02987	3.3
111.04527	4.8
123.04566	2.1
123.95225	2.1
125.02497	2.0
135.04524	4.0
137.02452	4.9
147.04634	1.9
148.60066	1.7
151.00374	4.6
155.03510	6.4
159.04576	5.3
172.05318	7.2
173.04576	22.9
173.06065	5.2
174.03217	2.9
178.99892	2.2
185.06110	9.5
186.06732	2.3
191.05624	15.8
198.06870	3.1
199.07622	7.5
200.08421	4.5
207.10309	3.0
209.11867	4.0
211.13412	2.8
214.06319	2.6
229.05000	7.7
230.05835	11.3
231.90717	2.0
233.25839	1.8
241.12453	4.5
243.13902	51.1
244.14146	5.4
251.14368	3.9
256.09766	3.0
267.13892	6.1
269.15445	30.5
269.39160	1.9
270.15790	3.7
271.02460	2.6
295.13467	4.0
299.02139	2.0
313.14478	100.0
314.14743	12.4
322.13208	2.1
323.02130	2.2
328.10526	2.9
387.59521	2.2
389.09775	2.4
393.05463	2.8
446.36557	1.9
470.12180	6.3
487.19733	40.5
488.20041	8.6
551.14722	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	550.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36571	1.4
57.03450	2.3
59.01384	10.8
61.98837	16.4
71.01378	4.7
71.70236	2.1
78.95895	3.2
85.02946	3.2
93.03465	12.9
106.21464	1.7
109.02946	1.9
111.04520	6.0
116.92863	2.4
118.32232	1.5
130.37895	1.5
134.03769	2.6
135.04512	2.3
137.02467	4.1
151.00351	2.9
151.02591	2.9
152.01196	1.7
155.03523	6.0
159.04492	3.5
161.02457	1.8
163.03989	2.3
172.05305	5.4
173.04564	24.6
173.06091	18.2
174.06783	4.5
175.03976	2.2
178.99883	3.3
179.03526	1.9
185.06099	5.5
187.04024	2.1
188.04807	3.3
191.05640	20.5
199.07683	16.8
200.08441	9.8
209.11832	4.6
214.06329	2.4
241.12285	7.3
243.13910	37.9
243.19722	1.7
244.07420	9.1
251.14392	5.3
267.14026	2.7
269.15558	14.8
271.02643	1.8
283.06766	2.1
295.13535	2.5
313.14465	100.0
314.14847	12.6
328.10574	2.0
389.09387	2.5
405.24915	2.4
406.24951	3.5
487.19705	39.0
488.20023	8.1
550.71417	2.1
551.19598	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
57.03450	3.5
58.00597	6.0
59.01382	100.0
60.01730	1.3
60.99313	0.6
61.98825	1.2
66.30352	0.3
67.01899	0.6
69.03477	0.5
71.01388	89.2
71.69442	0.3
72.01723	1.6
72.99313	7.9
73.02953	5.9
73.07150	0.3
75.00892	0.8
81.03473	0.4
83.01401	5.1
83.04967	0.3
84.01714	0.3
84.02184	0.6
85.02962	20.2
86.03296	0.5
87.00885	5.7
88.86066	0.3
88.98830	3.1
89.02457	96.4
90.02762	1.6
93.03485	3.4
95.01410	4.8
96.95995	0.4
97.02975	1.2
99.00911	2.7
99.04524	0.5
101.02462	55.2
102.02805	1.4
107.03510	0.4
109.02969	1.9
111.00905	0.8
111.04535	0.8
113.02473	35.7
114.02801	1.2
116.92874	0.3
119.03526	41.0
120.03847	1.0
121.02956	0.3
122.20906	0.3
123.04476	0.3
123.08135	0.3
125.02470	1.3
129.01971	0.5
131.03539	4.5
133.01515	0.3
133.02960	0.8
135.04539	3.1
137.02455	1.3
137.09743	1.6
139.00400	0.5
143.03540	8.3
144.03929	0.5
147.04558	1.2
149.04581	3.2
149.05768	0.4
149.06149	0.3
149.09767	0.5
151.04039	0.9
153.09268	0.6
155.03537	0.6
159.03001	1.4
159.04387	0.6
161.02478	0.7
161.04588	15.3
162.05017	0.4
163.04071	0.4
173.04611	4.9
175.03998	0.5
177.01958	0.5
177.05582	0.4
179.03687	0.8
179.05640	23.9
180.06030	1.1
189.12912	1.2
191.05643	10.0
192.05956	0.8
207.13931	0.7
219.03015	1.2
221.06621	0.6
225.14944	0.9
229.04370	0.6
269.08194	1.0
345.09094	0.4
345.59222	1.2
346.08801	0.3
353.08749	0.6
369.19205	2.4
375.07162	0.7
387.20242	10.8
388.20770	1.4
408.79922	0.3
549.25476	80.1
550.25824	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	549.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.5
60.81658	9.9
61.98823	38.6
65.14510	10.6
71.70045	10.6
71.70418	11.9
78.14071	9.5
78.95907	20.5
85.02969	13.2
93.03474	34.0
96.95972	13.6
107.94833	9.6
109.37376	10.7
116.92805	10.6
152.99617	24.7
173.04567	39.4
173.50484	10.1
191.05620	100.0
197.15384	12.3
197.70639	9.3
277.21738	19.0
308.03476	11.9
407.00769	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	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94701	0.4
53.61432	0.4
55.01880	4.2
57.03450	5.5
57.86240	0.4
58.00596	2.9
58.02958	0.8
59.01382	54.8
60.01725	0.7
61.98830	0.9
69.03458	1.3
71.01388	65.6
72.01727	1.0
72.99312	3.1
73.02956	15.7
74.72375	0.4
75.00878	2.1
81.03487	0.5
83.01397	11.2
83.05029	0.9
84.02196	0.7
85.02959	30.9
87.00887	4.0
88.98850	0.5
89.02457	35.3
90.02816	0.8
93.03471	1.5
95.01390	5.7
97.02959	2.6
98.20597	0.8
99.00892	6.4
99.04536	1.6
101.02460	66.3
102.02787	1.4
109.03004	1.0
111.00941	0.5
113.02466	33.0
114.02802	0.6
115.04025	0.8
119.03526	14.0
120.31193	0.6
121.06623	0.5
122.02620	0.4
123.07347	0.7
123.08185	10.4
123.22068	0.5
124.08515	0.4
125.02454	3.2
129.01970	0.7
131.03514	2.9
135.04529	1.7
137.02473	1.1
137.09764	3.2
143.03519	7.6
147.04546	1.5
149.04558	1.3
151.00404	1.1
159.03029	4.1
161.04578	34.0
162.04912	0.9
163.03984	0.6
163.11316	8.7
164.07191	3.4
171.11755	0.9
173.04504	2.3
173.09618	0.7
179.05626	12.9
179.07193	0.8
189.11131	0.8
189.12863	15.7
189.17447	0.5
190.13191	1.1
191.05623	5.6
192.05981	0.6
205.03470	0.7
206.08234	5.7
207.13913	18.3
208.14206	1.0
213.96342	0.9
221.06702	1.1
225.14984	4.5
230.70499	0.5
245.06653	0.5
263.07663	1.6
314.04376	0.7
323.09915	2.3
330.75626	0.4
387.20251	18.4
388.20612	1.9
431.19040	2.7
489.19806	1.3
549.25470	100.0
550.25848	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	549.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.2
57.32275	0.3
57.73120	0.3
59.01379	2.3
65.03983	0.5
67.01894	3.6
69.03448	1.1
70.92282	0.4
70.92630	1.0
71.01376	2.6
81.03456	1.2
81.11179	0.4
83.05045	1.6
85.02960	9.0
87.00884	3.1
93.03469	25.7
94.03819	1.1
99.04540	0.4
107.05033	0.5
109.02972	2.1
111.00875	1.0
111.04536	5.9
114.50676	0.5
121.02985	1.4
123.04546	0.5
127.04015	2.4
129.03545	0.3
130.04272	0.8
131.05023	3.3
133.02988	0.8
134.03732	2.5
135.04552	1.3
137.02467	5.2
145.03000	0.4
146.03775	1.1
147.04524	2.7
148.05214	0.4
149.06100	3.9
155.03513	4.7
158.03719	3.2
159.04533	34.7
160.01688	0.5
160.04930	1.6
161.02466	19.0
162.03242	4.2
165.01936	1.5
171.02995	0.7
171.04480	0.4
171.13902	7.0
171.15265	0.6
172.05295	3.2
173.04573	65.9
174.03247	6.1
174.04895	3.2
175.04025	13.3
175.05214	0.2
176.04799	32.7
177.05583	14.6
178.05899	1.0
185.02486	0.7
185.06087	0.7
186.06796	0.5
187.04033	0.4
189.01894	1.2
191.05624	73.6
192.05998	3.5
195.13823	0.5
196.05396	0.5
199.04057	1.5
200.04784	1.0
201.01962	0.6
201.05511	1.0
202.02713	2.9
202.29167	0.4
203.03508	13.9
204.04073	1.6
213.05600	1.7
214.06303	0.5
217.03615	0.8
219.02962	0.4
219.05119	0.4
220.03348	0.5
221.04587	1.8
238.04292	0.4
269.19196	0.6
285.18585	10.9
286.18936	1.3
287.16498	2.5
288.17184	0.7
295.17133	0.7
301.18094	0.6
303.19696	9.8
304.19971	1.4
313.18085	82.0
314.18442	11.4
315.16092	2.1
316.16556	0.8
329.17578	11.0
330.17993	1.2
331.19147	39.9
332.19458	4.6
339.16077	1.1
345.16751	0.5
347.18689	4.7
348.19028	0.6
357.17072	100.0
358.17429	13.7
358.21875	0.9
375.18137	15.5
376.18460	2.0
377.08722	1.6
395.09668	0.7
521.23907	4.0
522.24097	0.6
531.22253	4.6
532.22284	0.6
549.23279	4.4
550.23694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64563	0.3
56.42793	0.3
57.03452	0.3
59.01381	2.0
60.05567	0.3
60.99328	0.3
65.52564	0.3
67.01907	0.9
69.03455	0.3
71.01389	1.5
71.70058	0.5
73.02962	0.5
81.03463	0.8
83.05031	0.9
85.02965	13.6
86.03313	0.4
87.00890	3.5
93.03474	7.8
99.04534	0.4
109.02985	1.2
111.04532	2.1
115.32320	0.3
117.92020	0.3
127.04021	3.7
131.05077	0.3
134.03755	0.7
137.02460	0.6
142.51112	0.3
146.03767	0.7
147.04538	0.5
149.06111	1.3
155.03528	0.6
158.03792	1.1
159.04546	4.3
161.02460	5.2
163.04095	0.4
171.03046	1.0
171.13966	0.9
172.05327	0.4
173.02412	0.8
173.04570	3.8
174.03253	7.7
175.03998	2.7
176.04756	2.1
177.05510	1.2
187.03983	0.3
189.01990	0.7
191.05635	100.0
191.44548	0.3
192.05980	4.8
198.03246	0.5
199.04034	0.4
201.01991	1.0
201.05515	0.4
202.02748	6.1
203.03520	9.4
213.05606	0.6
221.04533	0.5
224.63995	0.3
285.18481	0.8
295.16998	0.4
301.17999	0.4
303.19699	1.3
311.16608	0.7
313.18103	15.9
314.18515	2.5
329.17615	12.9
330.17975	1.4
331.08292	2.9
331.19092	2.1
332.08765	0.4
332.19641	0.4
339.15945	2.3
340.16003	0.3
347.18735	0.8
357.17096	53.0
358.17456	8.1
375.18213	1.4
377.08835	3.6
378.08987	0.4
397.85242	0.3
429.56787	0.3
444.31570	0.3
531.22314	16.3
532.22668	3.2
549.23529	2.0
550.23938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
57.76643	0.6
59.01379	3.2
60.99301	0.5
61.98808	0.9
67.01889	5.8
69.03458	1.2
71.01394	3.7
71.01791	1.3
72.64445	0.4
73.88375	0.4
81.03482	1.0
83.05032	1.7
84.90697	0.5
85.02966	9.3
87.00898	3.0
93.03474	33.0
94.03813	1.0
99.04541	1.1
109.02997	1.7
111.00924	1.1
111.04534	6.4
113.02495	0.7
113.81604	0.5
127.04035	2.2
128.46596	0.5
131.05035	1.2
134.03793	2.9
135.04558	0.9
137.02469	6.3
147.04550	1.2
149.06113	10.0
150.06427	0.9
155.03558	6.3
157.03033	0.6
158.03760	3.6
159.04544	40.8
160.04813	2.8
161.02425	1.4
162.03281	1.7
171.03053	0.7
171.13910	1.3
172.05363	5.0
173.04584	100.0
174.03355	0.9
174.04929	4.2
175.04024	11.5
176.04736	2.1
177.05597	34.2
178.05933	1.6
185.06107	1.7
186.06850	0.9
191.05635	64.5
192.05980	2.3
202.02753	2.0
203.03529	23.6
204.03949	2.3
219.05099	1.0
221.04565	3.9
243.13965	0.5
285.18619	45.2
286.18979	5.4
287.16489	0.9
303.19687	41.8
304.19962	6.3
313.18088	21.0
314.18359	2.8
329.17596	5.5
330.17853	1.0
331.19220	10.5
332.19556	1.7
345.19028	0.6
347.18668	16.3
348.19058	1.9
357.17081	26.7
358.17471	3.5
375.18253	3.9
376.07996	2.1
376.18216	0.6
377.08755	5.4
378.09094	1.0
395.09833	1.7
503.22668	0.8
513.73389	0.5
521.23901	14.0
522.24335	3.1
531.22583	2.1
549.23401	13.7
550.23547	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.5
59.01344	1.4
61.98776	0.4
67.01904	0.5
69.03471	0.4
71.01356	1.1
71.51675	0.8
71.52022	0.5
73.02937	0.5
77.78844	0.4
81.03436	0.7
83.05017	0.6
85.02967	7.3
86.71736	0.4
87.00844	1.8
93.03464	5.5
97.32256	0.4
99.04485	0.4
109.02959	0.6
111.04520	3.6
121.02960	0.4
123.33847	0.4
126.04938	0.4
127.04076	1.9
129.01964	0.8
131.05063	2.1
133.02928	0.8
134.03729	1.8
135.04524	0.8
137.02422	1.3
137.83694	0.4
146.03757	0.8
147.04565	1.9
149.06087	2.6
155.03572	2.8
158.03699	2.4
159.04546	27.3
160.04877	1.7
161.02469	14.4
162.03244	3.5
163.03763	0.4
171.13931	11.4
172.05356	1.9
172.14230	1.0
173.04582	10.7
173.05963	0.5
174.03259	5.5
175.04025	9.4
176.04816	32.3
177.05569	12.6
178.05913	1.0
185.06068	0.4
186.06914	0.6
189.01932	0.9
191.05640	41.8
192.06007	1.9
195.13928	1.0
199.03995	1.2
200.04779	0.6
201.05568	1.3
202.02708	2.7
203.01811	0.6
203.03532	8.0
204.04224	1.5
213.05600	1.0
221.04520	2.0
224.26343	0.4
285.18625	4.0
286.18991	0.9
287.16550	1.6
288.17096	0.8
295.17065	1.6
303.19656	2.5
313.18091	67.6
314.14856	0.5
314.18439	9.1
315.16077	2.2
316.16592	0.7
329.17542	5.9
330.17941	1.3
331.19159	35.2
332.19507	4.7
339.16104	0.5
347.18564	0.7
357.17084	100.0
358.17453	13.9
375.18146	18.9
376.18460	2.8
377.08853	0.7
531.22369	5.1
532.22754	0.9
549.23401	4.9
550.23755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01365	2.7
66.13866	0.7
67.01908	1.2
71.01387	2.4
71.10192	1.1
71.69951	0.6
73.02941	0.5
81.03452	1.3
83.05045	2.6
85.02964	13.4
87.00894	3.6
93.03471	12.1
107.05037	1.2
109.02970	1.7
111.04543	8.1
115.05547	1.0
121.02925	0.6
121.06615	1.2
123.59130	0.5
125.89438	0.5
127.04056	3.4
129.01961	1.5
130.04327	0.5
131.05031	2.0
134.03766	5.2
135.04517	1.0
137.02480	2.8
146.03705	0.7
147.04579	1.9
148.05328	2.0
149.06111	19.8
150.06416	1.3
155.03531	7.5
157.02966	0.7
158.03755	11.0
159.04538	84.0
160.04865	5.4
161.02493	5.2
161.06116	0.6
162.03235	6.1
169.15994	0.9
171.03018	0.9
171.13956	2.1
172.05312	10.2
173.04597	28.3
173.06059	4.8
174.03267	2.8
174.04816	1.0
175.04027	19.8
176.04742	4.1
177.05589	52.7
178.05931	3.5
185.02470	1.3
185.06068	4.6
186.03238	0.7
186.06870	2.6
191.05632	100.0
192.05957	3.9
195.04654	0.6
196.05284	1.2
201.05553	1.0
202.02731	4.5
203.03519	56.7
204.03940	3.5
221.04555	7.9
257.19073	0.9
269.19000	1.0
275.20187	0.8
283.17087	1.3
285.18613	69.9
286.18958	7.8
287.16531	2.2
288.17245	1.3
295.16971	1.5
303.19666	69.3
304.19992	9.3
313.18094	49.2
314.18433	6.7
315.46716	0.6
329.17578	11.9
330.17877	1.1
331.19165	15.6
332.19571	1.5
339.16083	0.8
347.18652	13.0
348.18951	1.9
357.17087	76.0
358.17429	10.0
375.18143	5.5
376.18304	0.8
377.08673	3.5
395.09946	1.4
422.69437	0.7
521.23962	9.9
522.24084	1.7
549.23370	7.9
550.23804	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38225	0.3
53.82600	0.5
57.03458	1.1
59.01380	1.7
65.03947	0.4
67.01895	4.5
69.03457	0.8
71.01389	3.1
71.51823	0.5
71.52148	0.5
81.03468	1.4
83.05032	1.2
85.02957	4.4
87.00884	1.1
92.58321	0.4
93.03471	28.8
94.03813	1.0
107.05061	0.6
109.02971	1.4
111.00903	1.3
111.04537	5.9
113.74496	0.4
127.04036	1.4
131.05090	0.8
134.03777	1.8
135.04556	0.7
137.02478	6.0
147.04526	1.0
148.05348	0.5
149.06100	9.8
155.03510	6.2
156.71024	0.4
158.03745	3.6
159.04539	34.1
160.04927	2.1
161.02496	1.7
162.03261	2.0
169.15994	0.4
171.13925	0.9
172.05328	4.7
173.04575	100.0
173.42607	0.4
174.03368	0.8
174.04922	4.6
175.04013	8.7
176.04744	2.1
177.05585	32.7
178.05914	2.3
185.06129	1.5
186.03230	0.5
186.06831	0.9
191.05629	29.2
192.06006	1.3
196.93568	0.4
202.02695	2.4
203.03520	19.5
204.03983	1.6
219.05148	0.7
221.04591	3.5
269.19022	0.4
285.18610	40.1
286.18951	4.6
287.16528	1.1
288.17328	0.6
303.19659	42.5
304.20001	5.0
313.18094	20.7
314.18399	2.6
329.17673	5.2
330.17783	0.6
331.19162	10.9
332.19485	1.3
345.19348	0.7
347.18671	16.8
348.19110	2.1
357.17090	23.2
358.17419	3.0
375.18185	3.2
376.08066	1.8
376.18610	0.6
377.08817	3.5
395.09918	1.7
419.29025	0.6
503.22659	0.5
521.23859	12.7
522.24194	2.2
531.22321	1.3
549.23383	12.3
550.23730	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86404	1.0
57.03453	55.8
58.03783	1.0
59.01387	15.8
60.99306	1.1
61.98836	6.8
69.03467	17.0
71.01384	4.0
73.02927	0.9
77.23620	1.0
78.95921	1.7
79.01922	1.7
81.03460	2.8
83.01405	1.2
85.02976	4.1
85.49011	0.9
88.98837	4.8
89.02514	1.5
93.03454	2.1
95.01425	2.3
97.02967	10.5
99.04537	48.0
101.02467	13.1
107.01409	9.0
108.02201	27.5
109.02990	1.4
113.02446	1.3
116.71368	0.9
116.92856	1.2
121.02995	0.9
123.00879	2.9
125.02470	59.2
126.02805	2.9
133.02979	0.9
135.00909	45.9
135.04555	1.7
136.01270	1.9
137.02452	2.5
143.03549	2.1
145.02914	1.0
151.00424	6.0
152.01183	72.8
153.01646	3.0
161.04619	2.2
161.76831	1.0
163.04051	0.9
165.01913	1.2
166.58344	1.0
173.04507	4.1
191.05641	3.9
197.06042	2.4
225.05585	0.9
230.07397	1.0
237.65790	0.9
242.05910	5.7
242.08046	1.2
243.06639	100.0
244.06921	10.2
244.29614	1.2
269.08142	1.0
285.07861	1.1
325.02817	1.1
356.04996	2.0
387.10886	16.4
388.11270	1.7
405.11853	10.7
406.12338	1.3
447.13058	2.0
489.34155	2.8
507.35529	1.4
537.30621	1.0
549.20349	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	549.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84540	0.5
52.35286	0.4
57.03449	0.7
59.01385	0.8
61.98825	1.7
71.01382	0.4
71.61631	0.5
71.61965	0.7
78.95906	0.5
79.66849	0.4
87.00842	0.6
93.03458	3.0
99.68472	0.5
109.02951	0.5
116.92890	0.4
119.05046	30.3
120.04581	0.7
120.05369	0.9
128.05090	1.5
134.06171	0.6
137.02435	0.8
144.04575	14.3
145.04939	0.8
146.06140	74.5
147.06465	3.4
155.03606	0.5
159.04456	0.8
169.15976	1.8
172.04024	0.4
173.04549	6.2
175.03955	0.5
177.02000	0.4
191.05632	4.4
223.04041	0.6
224.04802	14.2
225.05363	2.4
239.03503	0.8
239.07103	6.5
240.07542	0.5
250.05118	4.9
251.03421	2.4
251.05891	7.8
252.04254	5.8
252.06493	0.5
253.04962	2.2
253.08839	0.5
254.05687	1.0
254.08264	1.0
265.05032	1.9
266.05798	8.7
266.08105	0.6
267.06619	24.1
268.07019	3.6
269.08020	1.0
278.04553	2.9
279.05377	54.5
280.05453	4.8
281.08215	10.1
281.11261	0.4
282.07803	5.4
283.09119	0.6
292.06198	1.0
293.06967	1.9
294.07721	100.0
295.08014	10.7
296.09305	1.3
297.10074	18.0
298.10397	2.1
308.09183	2.3
309.10077	44.0
310.10489	5.5
312.12421	40.2
313.12830	4.0
314.08011	0.8
314.21176	0.9
324.12436	1.5
370.10840	4.3
371.11392	0.5
380.09494	0.6
385.09372	0.7
385.13425	5.6
386.13611	0.7
395.11481	0.9
398.10211	1.2
400.15726	8.0
401.16226	0.9
410.13916	0.9
413.12793	6.5
414.12894	0.9
428.15057	98.9
429.15366	17.1
549.20013	10.5
550.20215	1.5
550.27423	2.5
566.49738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50622	0.1
53.48796	0.1
57.03487	0.1
59.01381	0.5
61.98818	0.2
64.53214	0.1
71.01385	0.3
73.02958	2.2
78.52039	0.1
82.57668	0.1
85.02981	0.2
89.02432	0.2
96.96014	0.2
99.00899	0.3
99.92596	9.9
100.92600	0.5
101.02467	0.3
109.02968	0.4
113.02457	0.1
114.93464	0.3
115.92086	0.2
116.92879	100.0
117.01960	5.1
117.02802	0.2
117.92885	5.8
133.02939	0.2
133.05078	0.2
135.04539	0.2
140.47295	0.1
160.03914	0.2
160.27107	0.1
174.83395	0.1
191.03535	0.1
191.05565	0.2
196.81047	0.1
211.04082	0.1
227.03503	0.6
246.39215	0.1
255.02913	1.1
257.04367	0.2
258.66083	0.2
270.07687	0.3
282.83362	0.1
284.03305	1.0
285.04001	1.2
301.03195	0.2
303.25616	0.1
341.66315	0.2
431.09784	1.7
463.25815	0.2
505.26370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.8
61.98812	2.7
68.07121	1.6
69.03441	1.8
71.01350	2.1
78.95931	2.7
81.03463	4.3
83.05029	6.7
85.02948	4.8
91.05537	8.0
93.03474	49.2
95.01427	2.0
109.02959	4.4
111.04549	14.7
117.03477	3.8
119.05058	29.7
120.05270	1.5
121.06600	3.9
125.02386	2.0
131.05083	2.2
132.02228	3.2
133.02965	7.7
134.03764	9.9
135.03009	2.6
135.04556	49.4
137.02475	33.6
145.02934	2.4
146.03745	6.6
147.04544	83.1
148.05360	8.2
149.02409	2.2
149.06102	11.4
155.03539	33.7
160.04054	2.7
160.05321	1.7
161.02441	7.7
161.06068	1.9
162.03261	1.7
163.04039	11.7
165.05521	1.9
171.13969	12.9
173.02477	5.0
173.04533	5.0
173.05980	2.0
174.03273	9.9
175.04041	63.5
176.04370	5.3
177.01930	2.0
178.02687	2.0
179.03496	12.5
184.05342	2.1
188.04820	11.4
190.02654	1.7
191.03528	15.4
191.05618	22.8
192.04277	1.6
192.05991	2.1
193.05048	9.0
201.01933	6.9
201.05563	3.0
205.01346	3.4
207.02982	6.1
214.02744	4.0
219.03003	100.0
220.03317	6.9
222.62695	1.6
223.02487	12.3
232.03790	4.2
235.02475	3.2
236.03308	2.3
237.04054	40.6
257.19080	3.9
258.19351	1.7
272.14227	1.9
273.18570	14.2
283.16940	4.1
299.16644	2.2
301.18106	60.1
302.18405	6.4
317.06735	3.9
317.17615	5.1
319.19189	3.2
327.15927	4.3
329.17755	8.1
345.17099	96.7
346.17432	10.9
355.15570	7.7
361.05640	3.1
363.18085	23.9
364.18570	2.7
368.22208	3.1
373.16565	6.8
375.07211	51.4
376.07416	4.9
379.06723	4.3
386.23410	4.6
391.17609	5.5
393.08276	50.1
394.08600	5.6
430.22479	2.6
501.21243	17.3
502.21841	2.7
519.22369	59.6
520.22534	12.0
526.76105	1.7
546.75909	2.2
547.21802	86.0
548.21997	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	547.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
57.54949	0.3
59.01381	2.8
61.98832	6.1
65.40614	0.3
67.01887	0.4
69.60370	2.9
71.01393	2.0
73.02944	0.6
75.68401	0.3
81.03446	0.3
83.01408	0.4
85.02967	0.7
87.00871	0.7
89.02461	0.8
91.01927	0.4
93.03465	2.1
95.01411	0.5
95.05054	1.2
96.96022	3.9
96.96984	0.5
98.95596	0.8
99.04518	0.8
101.02451	1.1
103.05567	0.4
105.03493	0.4
108.02209	0.8
109.02972	10.4
110.99133	0.7
111.04543	0.5
113.02460	0.7
115.92088	0.4
116.92860	0.4
117.03510	0.8
119.05032	1.2
121.02979	1.3
122.03737	0.6
123.04543	10.1
123.99854	0.4
125.02486	0.7
133.02974	2.6
134.03792	0.5
135.00877	0.5
135.04535	0.9
137.02495	0.9
143.03535	0.4
145.02963	1.4
146.03648	0.4
147.04549	3.5
148.01743	0.5
148.05289	0.5
149.02463	0.7
150.03273	1.0
151.00407	0.4
151.04033	4.4
152.01199	0.5
152.04471	0.4
153.01912	0.4
155.03568	0.5
159.04555	0.8
160.01595	0.5
161.02472	2.6
161.04662	0.5
161.06120	0.3
162.03224	0.8
163.04082	0.9
167.03526	0.6
167.98894	1.3
169.01350	0.3
172.05234	0.4
173.04601	3.2
175.04041	2.2
176.01190	0.7
176.04782	5.0
177.01958	19.3
177.09201	0.5
178.02309	1.0
179.03514	0.9
187.04039	1.4
187.07642	1.0
189.01955	46.4
190.02692	10.1
191.03499	8.4
191.05605	2.2
203.03508	5.5
205.08701	3.9
206.09039	0.4
207.65613	0.4
215.03448	0.5
216.00656	7.6
217.01419	28.7
218.01915	3.2
219.03001	11.9
220.03281	0.8
229.01300	0.5
229.08640	0.6
231.02986	8.8
231.10121	0.3
232.03554	1.1
233.04495	0.9
242.02380	0.5
249.05881	0.3
253.04996	0.7
255.02722	0.5
259.04291	3.6
260.04645	0.5
275.09305	0.6
281.04596	0.7
297.07587	0.5
323.05655	1.1
327.05307	0.4
341.06683	100.0
342.07019	11.6
344.00305	0.4
395.11249	0.5
419.11438	1.8
420.11554	0.5
449.14725	0.5
509.11218	0.5
529.14813	0.5
547.01276	0.4
547.15918	7.1
547.31342	1.2
548.16187	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	547.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.3
59.01372	4.3
61.98833	6.0
63.29774	0.4
65.00338	1.1
67.01928	0.6
69.52869	1.2
69.53276	3.4
71.01391	1.5
71.17581	0.5
73.02943	0.7
77.97511	0.5
81.03457	5.6
83.00896	0.9
83.01391	14.1
89.02441	0.5
89.04002	0.8
91.01904	0.6
93.03472	2.2
95.01393	0.8
95.05034	1.9
96.39298	0.5
96.96029	2.3
99.04537	0.6
101.02450	0.8
103.44350	0.5
105.03541	0.5
107.01384	1.3
108.02181	1.4
109.02972	12.7
109.03681	0.9
111.04536	0.8
113.02485	0.7
117.03454	0.8
119.05039	1.3
121.02990	1.2
122.03741	0.6
123.04540	47.9
124.01689	0.7
124.04903	1.7
125.02464	81.3
126.02787	3.8
133.02992	3.1
135.00879	0.5
135.04539	2.6
137.02484	1.0
145.02956	1.7
146.03778	0.9
147.04581	3.3
148.01660	0.7
149.02492	1.9
150.03256	1.4
151.00383	6.7
151.04037	4.1
153.01978	0.8
159.04498	1.4
161.02486	3.0
162.03197	0.7
163.00479	1.1
163.04028	1.2
165.01994	0.6
166.02713	5.4
167.03513	100.0
168.03864	4.7
171.44160	0.5
172.05203	0.5
173.04585	2.7
173.05861	0.5
175.04021	1.8
175.07611	1.1
176.01154	1.1
176.04788	6.7
177.01950	24.2
177.05206	0.7
177.09193	0.9
178.02292	1.0
178.99838	1.1
179.03508	8.0
187.03999	1.1
187.07639	2.1
188.01128	0.6
188.04938	0.6
188.59592	0.5
189.01947	49.5
190.02679	9.1
191.03493	11.2
191.05602	2.6
194.54149	0.5
199.03979	0.6
201.01939	1.8
203.03505	4.7
205.08702	6.8
215.03528	1.6
216.00653	13.5
217.01410	32.9
218.01868	3.6
219.02997	12.6
220.03358	0.7
226.02754	1.2
227.03494	1.8
229.01447	3.1
229.08614	0.7
231.02994	8.8
231.10272	1.1
232.03490	1.1
233.04553	1.4
241.08635	2.0
242.02231	1.5
243.02939	5.0
244.03394	0.5
245.04449	0.6
254.02095	1.7
255.02972	6.9
255.10245	1.1
259.03162	0.5
259.09821	2.4
269.08218	0.9
271.02457	21.1
272.02872	2.2
281.04483	0.7
285.04089	0.6
288.06339	2.2
289.06851	0.6
294.08923	0.6
297.11258	1.6
299.12790	1.0
300.02768	23.6
301.03415	9.9
302.04150	0.6
302.16925	0.6
323.05566	1.0
323.12863	1.6
327.05124	1.1
341.06665	89.3
342.06979	10.6
367.11957	4.6
368.12439	0.6
385.12927	72.5
386.13306	10.4
401.10153	1.6
409.12521	0.7
419.11356	15.5
420.11777	2.2
437.12411	0.5
449.14557	1.2
529.14795	2.6
547.14716	30.8
548.14935	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	547.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60950	0.3
57.03448	0.6
59.01379	2.6
61.71196	0.3
61.98833	3.7
67.01899	0.3
71.01374	1.5
71.04997	0.3
71.71222	0.4
73.02946	0.4
81.40033	0.3
83.01426	0.4
85.02956	0.9
87.00853	0.3
89.02456	0.6
89.03996	0.4
91.01900	0.3
93.03477	1.7
93.29842	0.3
95.01414	0.3
95.05053	1.1
96.96033	3.2
96.96973	0.3
98.95601	0.3
99.00883	0.3
99.04542	0.6
101.02471	0.8
108.02177	1.0
109.02969	10.5
110.03325	0.7
111.04535	0.5
113.02457	0.6
115.92133	0.4
116.92885	0.4
117.03491	0.6
119.05046	1.0
121.02981	0.8
122.03798	0.5
123.04542	9.8
125.02473	0.6
133.02966	2.3
134.03816	0.4
135.00883	0.3
135.04565	1.7
137.02472	1.1
139.04007	0.5
145.03008	1.7
147.04555	3.5
148.01674	0.4
149.02469	0.8
150.03221	0.8
151.04027	4.4
152.01149	0.4
152.04466	0.4
159.04515	1.2
161.02452	2.7
161.06053	0.4
162.03191	0.7
163.04013	0.6
167.98886	1.0
173.04596	2.0
175.04037	1.8
176.01234	0.7
176.04807	4.4
177.01949	18.0
178.02310	1.2
179.03481	1.0
187.03984	1.3
187.07695	1.1
189.01953	41.0
190.02676	9.2
191.03491	8.9
191.05611	2.4
192.03970	0.6
192.05803	0.3
201.01933	0.7
203.03510	4.9
204.04028	0.3
205.05077	0.3
205.08733	4.9
216.00653	7.1
217.01424	28.9
218.01956	2.7
219.02992	11.7
220.03299	0.6
229.01518	0.9
231.02991	9.2
231.10487	0.4
232.03574	0.9
233.04605	0.9
242.02177	0.4
243.02693	0.4
253.05016	0.8
255.06577	0.4
259.04367	2.9
260.04639	0.5
261.04266	0.4
270.01331	0.3
271.02438	0.3
275.09363	0.7
281.04471	0.5
297.07840	0.5
323.05585	0.9
327.05057	0.5
341.06680	100.0
342.07025	12.1
385.13000	0.3
403.19730	0.4
419.11441	3.0
449.14709	0.4
509.11426	0.5
529.14990	0.5
547.01080	0.6
547.16022	7.1
547.30707	0.9
548.16095	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97471	0.2
57.03444	1.9
59.01377	1.8
60.99311	0.3
61.98838	2.3
65.00348	0.4
67.01910	0.3
70.19312	0.5
70.19723	0.8
71.01398	1.2
73.02962	0.5
81.03455	2.1
83.01402	4.1
84.13461	0.2
85.02959	0.4
87.00878	0.5
88.98814	0.4
89.02447	0.5
89.03973	0.3
91.01902	0.3
93.03461	1.4
95.01438	0.2
95.05047	1.0
96.96021	1.8
99.04535	0.6
101.02460	0.7
103.05598	0.4
105.03452	0.4
107.01374	0.3
108.02184	0.5
109.02973	10.9
110.03339	0.4
111.04545	0.3
113.02477	0.6
113.92642	0.4
114.93436	0.2
117.03491	0.7
119.05068	1.5
121.02953	0.6
122.03761	0.7
123.04543	20.9
124.01698	0.3
124.04852	0.7
125.02467	22.4
126.02810	1.0
133.02977	3.0
135.00879	0.3
135.04553	1.9
137.02449	0.6
139.04037	0.3
145.02957	1.2
146.03711	0.6
147.04550	3.3
148.01669	0.2
148.05351	0.3
149.02473	1.0
149.06081	0.3
150.03252	1.0
151.00377	1.7
151.04021	4.3
159.04536	1.2
161.02460	1.9
161.04628	0.3
161.06163	0.5
162.03232	0.6
163.03979	0.6
166.02705	1.5
167.03517	28.4
168.03889	1.2
173.04556	1.5
175.04027	2.1
176.01175	0.9
176.04825	5.4
177.01950	21.0
177.09207	0.3
178.02316	1.3
179.03563	2.3
179.05042	0.3
179.05545	0.2
185.50069	0.2
187.04037	1.1
187.07607	1.2
189.01953	45.5
190.02681	9.7
191.03491	9.1
191.05562	1.5
192.03888	0.7
192.05873	0.3
201.01843	0.4
203.03513	4.8
205.08734	4.9
206.09128	0.6
211.04156	0.2
215.03555	0.3
216.00645	7.2
217.01424	30.5
218.01900	3.3
219.00824	0.5
219.02986	10.2
220.03281	0.8
222.01715	0.3
227.03503	0.4
229.01393	0.7
231.02985	8.6
232.03549	1.0
233.04498	1.0
241.08717	0.4
242.02177	0.3
257.61765	0.3
259.09735	0.6
269.08206	0.3
275.09131	0.3
281.04547	0.7
285.04013	1.1
288.06400	0.9
289.07138	0.5
297.07697	0.7
297.11172	0.4
323.05634	1.5
323.12988	0.4
327.05115	0.9
329.06793	0.2
341.06674	100.0
342.06995	11.3
352.49823	0.3
367.12082	1.7
373.11908	0.3
385.12927	21.6
386.13193	2.6
395.11166	0.5
409.13214	0.3
419.11310	3.2
420.11438	0.4
449.14432	0.4
529.15057	0.4
547.02631	0.3
547.16003	7.2
547.31360	0.9
548.16309	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	546.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81386	2.1
59.01377	8.0
61.98822	6.4
66.16814	1.8
67.01881	2.1
69.03467	15.8
69.94761	7.7
69.95180	3.4
71.01383	5.4
72.99335	3.4
75.00883	28.8
78.95896	2.1
82.02985	2.1
87.00883	2.5
89.02478	2.8
93.03474	8.9
95.05027	2.7
98.20061	4.2
98.20580	2.2
99.00893	2.8
99.92606	2.3
103.13151	2.0
110.02477	2.3
111.04538	2.1
116.05079	10.2
118.06660	17.7
135.03035	61.0
137.02472	4.0
139.10600	1.8
142.06587	3.0
142.99886	2.5
147.04527	2.8
155.03627	1.9
173.04530	4.5
174.05626	21.0
181.15962	4.5
184.07666	6.0
186.05557	3.6
190.05182	3.3
191.05605	10.8
199.17136	4.6
202.08751	9.9
207.17575	2.9
209.19099	6.6
221.19170	24.7
223.16956	3.0
239.20183	5.0
242.08261	4.4
248.20200	8.5
263.18954	3.3
264.19525	3.6
265.18155	2.6
277.21786	3.3
280.19220	8.1
291.39719	2.4
292.19199	5.3
308.18732	21.0
309.18597	2.1
338.24762	3.9
340.26404	14.3
341.26624	2.9
366.24402	74.5
367.24667	12.9
372.25528	3.4
382.23804	5.4
384.25476	100.0
385.25787	12.2
412.24945	8.6
424.25037	4.6
428.24438	35.9
429.24820	4.8
484.26990	5.5
497.39200	2.1
537.25470	3.9
537.74902	2.9
538.25482	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	546.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20604	0.6
55.01883	0.9
57.03451	74.3
58.00590	1.0
58.03783	1.0
59.01384	52.8
60.99290	0.9
61.59915	0.7
61.82381	0.6
61.98833	6.4
63.92196	0.6
70.57185	2.7
71.01390	31.6
72.99320	1.6
73.02959	10.4
75.00861	0.9
81.03471	1.6
81.93633	0.6
83.01393	5.4
85.02959	11.2
87.00893	2.4
89.02463	21.1
93.03473	3.9
95.01406	3.3
96.96036	5.1
99.00931	1.9
99.04539	32.8
100.04897	0.8
101.02461	40.5
109.02976	3.7
111.00858	0.9
111.04508	1.5
113.02467	14.3
117.03516	0.8
118.98034	0.6
119.03524	8.3
119.05013	3.8
120.04585	12.8
121.02981	5.0
123.04514	3.5
125.02472	19.4
131.03514	1.0
133.02954	1.4
134.06158	7.2
135.04585	1.6
137.02487	0.9
143.03528	2.0
147.04645	0.7
151.00401	1.5
151.04034	1.3
152.03653	0.7
161.02521	1.0
161.04613	4.3
161.05792	1.0
162.05652	24.8
163.05992	0.9
173.04614	4.0
174.04962	0.9
177.01932	5.9
179.05629	1.6
189.01965	10.4
190.02739	1.4
191.03607	1.1
191.05635	4.9
192.06020	0.8
194.05045	0.7
203.03523	1.4
203.83165	0.7
216.00713	4.7
217.01457	8.0
219.03006	2.5
222.09296	6.3
223.09712	1.4
229.01443	2.8
231.03026	1.0
238.08769	2.7
240.10307	84.7
241.10699	8.3
242.02180	1.2
264.10345	0.8
270.96539	0.7
275.09094	0.9
282.11304	1.7
285.04056	1.0
296.40717	0.7
300.02942	1.0
301.03473	2.2
337.13419	0.7
341.06674	14.3
354.63336	0.8
384.14557	32.0
385.14954	4.6
401.10034	1.1
402.15610	100.0
403.15915	14.6
419.11462	10.2
444.10590	1.1
444.16678	20.5
445.16702	3.6
449.14224	0.9
483.17108	0.7
484.19601	2.6
529.15186	1.2
546.12689	1.5
546.19751	7.9
547.21167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
58.00628	0.3
59.01376	3.0
61.98832	100.0
67.01903	1.1
69.71371	1.2
69.71804	1.1
71.01386	2.3
71.04992	0.3
73.02950	0.6
79.24523	0.3
81.03500	0.4
83.05051	0.4
85.02968	1.2
87.00907	0.9
88.98828	0.5
89.02460	0.7
93.03468	11.6
94.03800	0.6
96.96028	2.4
97.02927	0.4
99.00954	0.3
99.04546	0.8
101.02481	0.9
104.58134	0.3
108.02148	0.4
109.02983	1.2
111.00912	0.8
111.04555	1.9
113.02478	0.3
116.92886	0.5
117.03502	0.5
119.05043	10.7
120.05352	0.6
121.03030	0.5
123.04553	0.6
125.02459	0.5
127.04060	0.6
133.03012	0.6
134.03778	0.4
135.04541	1.2
137.02463	8.9
138.02831	0.4
145.02968	3.7
155.03537	3.7
157.08731	1.5
158.09061	0.4
160.01782	0.4
161.02502	0.7
163.04031	17.6
164.04395	1.0
165.01997	0.8
166.02245	0.7
173.04568	48.8
174.04898	2.0
175.04051	0.6
177.01929	0.9
179.03511	0.6
189.01976	1.2
189.69199	0.3
191.03819	0.4
191.05624	3.1
199.09798	0.6
216.00697	0.4
217.01451	0.8
225.26099	0.3
228.36519	0.4
255.02985	1.4
283.02457	1.0
284.03305	0.5
285.04175	0.6
299.05624	0.9
301.03378	0.7
319.08243	4.7
320.08545	0.5
337.09296	44.4
338.09592	4.5
341.06851	2.4
414.06210	0.3
419.11444	0.7
483.12949	9.8
484.13321	2.2
545.32709	1.0
547.14014	1.7
547.31409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.2
61.98832	1.2
70.91424	1.0
70.91784	1.5
71.01383	1.5
73.02941	1.2
83.05033	2.1
84.81280	0.5
85.02973	0.6
93.03471	15.9
96.96030	0.6
99.00903	0.8
109.02963	4.6
111.04539	3.9
115.00406	0.7
117.76198	0.6
125.89444	0.6
128.03580	0.9
130.04260	0.9
131.05020	2.2
133.02966	2.5
134.03764	3.2
135.04547	1.5
137.02455	6.7
145.03046	0.8
146.03751	3.0
147.04552	2.7
149.06100	2.1
153.01970	3.4
155.03526	1.9
158.03732	3.3
159.04539	28.6
160.04971	2.6
161.02467	21.5
161.06041	1.4
162.03259	4.4
163.04013	0.8
168.40219	0.6
172.01057	0.6
172.05336	3.3
173.02448	1.3
173.04562	3.4
173.05988	1.4
174.03242	8.2
175.04025	13.4
176.04808	20.0
177.05603	11.2
178.05853	0.7
185.02469	1.0
185.06046	1.6
185.15471	5.5
186.06923	1.3
187.04050	1.4
188.04822	0.7
189.01947	2.1
191.03516	0.7
191.05626	1.6
198.03188	1.1
199.02396	0.8
199.04042	2.4
199.07764	0.7
200.04733	1.3
201.01950	0.8
201.05563	0.7
202.02728	4.5
203.03522	20.0
204.04001	2.1
211.13423	1.4
213.05620	2.9
214.06157	0.6
221.04489	2.4
255.10323	0.6
283.20538	0.7
291.19629	0.8
299.20096	5.1
300.20547	0.7
301.17926	1.7
304.06482	0.6
309.18665	1.7
313.18130	1.2
315.19580	0.8
317.21207	1.6
325.18124	0.9
327.19662	100.0
328.20010	14.6
329.17542	8.5
329.21268	2.9
330.17941	1.5
330.21640	0.7
343.19116	5.5
344.19507	1.2
345.20749	16.8
346.21185	1.9
353.17426	1.0
359.07730	21.0
360.08008	2.6
371.18652	67.8
372.18985	9.4
373.20276	0.9
389.19745	9.9
390.20206	1.2
393.07574	0.6
483.23853	0.8
517.24341	0.9
527.22839	61.5
528.23199	12.7
545.23846	7.8
546.24585	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	545.2389
Annotation	[2'S,3S,3'R,7'R(R)]-7'-Deoxo-2'-deoxy-2',3'-epoxy-3-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
59.01367	0.8
61.98828	1.0
66.01088	0.2
67.05647	0.2
71.01385	0.6
71.71763	0.3
73.02956	0.4
83.05038	0.9
85.02944	0.4
89.03972	0.4
91.05557	0.4
93.03468	5.3
97.21534	0.2
99.71607	0.2
101.02412	0.4
107.05029	1.1
108.02248	0.3
109.02959	0.4
111.04508	1.1
111.05219	0.3
116.92876	0.7
117.03468	1.1
121.02970	0.5
132.02188	1.5
133.02982	3.3
134.03766	8.6
135.04544	32.2
136.04869	1.7
137.02472	3.1
139.04008	0.6
145.02969	0.9
147.00961	0.3
147.04456	0.2
148.01704	0.3
148.05310	0.9
149.02487	1.5
150.03242	2.0
153.01949	0.5
155.03516	0.8
159.04585	0.4
160.05260	0.3
161.02460	3.9
161.06149	0.3
162.03192	1.0
163.04071	0.7
172.05356	0.5
173.02409	0.9
173.04602	2.4
174.03210	0.4
175.04010	0.7
176.04793	0.7
177.05598	0.4
178.02774	0.4
179.03510	13.8
180.03867	0.8
188.04825	0.3
189.01996	0.5
190.02678	0.3
190.06265	0.5
191.03484	1.0
191.05630	2.0
193.01418	1.0
194.02180	0.8
199.07709	0.3
200.89159	0.3
202.06435	0.3
203.07497	0.3
207.03050	0.5
215.03497	0.3
217.01402	0.6
235.02419	1.7
236.03192	1.1
236.22932	0.3
276.96359	0.3
277.21594	0.5
283.13388	1.1
299.20172	1.1
301.21747	1.4
309.18463	0.3
315.19705	2.9
317.21225	23.4
318.21637	2.8
327.15961	0.5
327.19608	1.1
343.19177	2.1
344.19553	0.4
345.20752	5.0
346.20999	0.8
353.17554	0.4
361.20200	13.3
362.20505	1.6
371.14319	0.6
371.18665	7.7
372.19119	1.0
389.19702	35.2
390.20013	5.2
391.06381	0.4
391.21426	0.4
415.16000	0.4
423.67572	0.3
517.24536	0.3
545.23871	100.0
545.76404	0.6
546.24219	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	545.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.6
59.01381	1.8
60.12674	0.1
61.98824	0.8
63.03972	0.1
67.01897	2.3
69.76706	0.1
71.01389	1.0
71.40852	0.3
73.02951	0.2
75.00861	0.1
81.03469	0.2
83.01398	0.6
83.05083	0.2
85.02963	2.3
87.00887	10.0
87.61090	0.1
89.02444	0.2
93.03466	2.3
96.95441	0.3
96.96030	3.7
99.04539	0.4
101.02466	0.5
109.02969	0.8
111.00898	100.0
111.04440	0.7
112.01236	2.7
113.02461	0.3
116.92862	0.4
119.03507	0.2
119.05033	0.2
121.02930	0.2
123.04576	0.2
125.02480	0.5
127.04019	0.4
130.99878	0.2
135.04567	0.3
137.02470	0.5
146.03792	0.3
147.04544	0.3
151.04016	0.2
154.99835	0.4
155.03516	0.6
159.04509	0.2
161.04570	0.2
173.00935	14.1
173.04594	4.5
173.06084	0.9
174.01257	0.6
174.04906	0.4
177.01929	0.3
179.03583	0.2
191.05630	13.9
192.05931	0.6
209.06184	0.2
212.38234	0.1
217.05072	0.5
227.03514	0.3
243.03030	0.2
249.05437	0.2
255.03001	0.4
265.05090	0.3
266.05817	0.5
267.06555	0.2
268.03818	0.2
281.08072	0.2
283.09827	0.3
284.03210	0.9
285.04007	0.2
289.07150	0.2
293.04520	0.3
294.05240	0.4
297.07745	1.1
298.08160	0.2
300.02789	0.3
309.07721	0.2
312.10095	0.3
327.08871	0.3
327.12405	1.0
328.12613	0.2
339.05502	0.1
345.13422	0.3
353.06717	1.8
354.06967	0.2
369.06927	0.1
371.11398	4.7
372.11771	0.6
401.18024	0.2
433.07919	0.2
447.09061	1.1
545.15369	0.3
545.22461	5.1
546.22723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67101	0.4
59.01373	0.6
61.98821	0.6
70.58714	1.4
73.02943	1.1
81.03451	0.7
83.05022	1.8
93.03471	13.0
99.00883	0.4
109.02975	2.0
111.00892	0.5
111.04539	4.1
123.00971	0.3
130.04283	0.4
131.05046	0.8
133.02959	0.5
134.03738	3.4
137.02463	5.7
145.02954	0.8
146.03773	1.9
147.04567	2.4
155.03520	2.1
157.02969	0.8
158.03728	3.0
159.04539	11.9
160.04926	0.5
161.02460	19.0
161.06129	0.5
162.02901	1.1
163.04039	0.4
172.05310	28.4
173.02451	1.3
173.04501	1.0
173.05840	2.4
174.03255	3.5
175.04005	6.7
176.04738	1.2
177.05502	1.0
185.06097	7.4
186.06808	2.0
187.04030	6.5
188.04713	2.0
189.02013	1.8
191.05603	1.3
196.05351	1.4
197.06099	1.8
198.03218	1.0
199.02524	0.5
199.04047	4.9
199.07681	2.5
200.04726	2.7
201.01942	2.6
201.05611	1.7
202.02682	2.0
203.03508	30.8
204.04243	11.8
205.04530	0.7
209.06120	1.2
210.06837	1.1
211.04071	0.6
211.07629	0.5
213.05550	3.7
213.09157	0.6
214.06247	0.8
215.03481	0.6
215.07085	0.5
217.05022	0.6
218.05875	4.7
219.02930	2.1
224.08444	0.6
225.09154	0.4
227.07115	0.9
227.10580	0.5
229.04984	0.6
241.08702	0.6
241.12271	0.6
247.02470	2.5
255.10310	1.3
255.13809	0.5
257.04388	0.5
269.11786	1.4
283.13623	0.6
283.16965	1.0
284.17667	0.4
285.18637	2.1
287.16431	0.4
289.78958	0.4
295.17041	2.8
296.17316	0.5
297.18414	0.5
300.17316	5.6
301.17883	1.8
309.18640	1.1
311.16507	1.5
312.17227	1.8
313.18085	100.0
314.15155	1.1
314.18420	14.2
315.15958	3.4
315.19571	0.8
316.16635	1.1
327.16061	1.3
327.19577	10.5
328.16528	0.7
328.20004	1.3
329.17502	2.3
330.18222	1.6
331.19083	0.5
339.16043	1.2
341.17761	0.8
344.16141	0.5
345.20715	28.9
346.21011	3.8
356.16095	0.5
357.17075	24.6
358.17526	2.7
371.14423	0.9
371.18698	10.2
372.19012	1.4
374.17340	0.6
389.19702	4.7
390.19928	0.9
513.21295	14.3
514.21503	2.8
527.22748	7.2
528.22925	1.1
545.23889	51.5
546.24298	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	545.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53314	0.4
57.03447	2.6
59.01374	2.7
61.98836	6.8
65.00317	0.5
66.71560	0.3
67.01920	0.4
69.47402	2.6
69.47804	0.6
71.01382	2.6
71.05037	0.5
73.02918	0.7
77.03979	1.8
78.95934	1.0
81.03448	0.9
83.01391	0.7
83.05030	1.4
85.02970	1.3
87.00902	1.1
89.02470	0.9
89.03976	1.1
91.77815	0.4
93.03474	8.1
94.03810	0.6
94.98103	0.5
95.05028	4.4
96.96022	5.3
96.96958	2.0
99.04540	1.2
101.02463	0.8
105.03474	16.9
106.03770	0.7
107.05048	0.6
109.02975	1.4
111.00925	0.8
111.04531	6.4
113.02479	0.4
116.92878	0.4
119.05048	0.7
121.02959	2.4
123.04530	2.2
124.01611	0.5
125.02470	1.9
127.04044	1.3
129.01942	0.5
132.02164	0.8
133.02977	100.0
134.03830	13.7
135.04549	32.4
135.05634	0.6
136.04878	2.0
137.02461	11.5
139.04044	3.8
143.03552	0.5
148.01712	0.4
149.02475	1.0
149.06129	0.4
150.03253	1.4
151.00418	2.2
151.04005	1.2
152.00888	0.7
155.03542	6.5
157.90710	0.4
161.02446	0.9
163.04044	2.2
165.02013	0.5
173.04573	16.0
174.04877	0.6
177.01949	86.7
178.02719	37.7
178.06210	2.6
179.00027	2.4
179.03505	22.5
179.06952	0.5
180.00211	1.0
180.03876	1.4
181.00436	0.6
191.05602	6.6
193.05121	0.8
193.08716	13.2
194.09045	0.6
238.08661	2.6
239.08978	2.9
254.02617	0.4
254.08177	0.6
271.02463	1.0
283.13315	0.5
286.63358	0.4
300.02710	1.0
301.03513	0.9
327.12375	5.4
328.12769	1.0
337.09143	1.4
351.07346	1.9
371.11356	35.4
372.11731	5.4
383.11441	0.7
447.09103	0.6
463.77283	0.5
481.60202	0.4
545.16400	8.1
545.32745	1.6
546.16797	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	545.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67688	0.2
54.55799	0.2
57.03459	1.2
58.61181	0.2
59.01387	3.2
60.99301	0.7
61.98836	2.0
65.03999	0.2
67.01894	5.2
68.02248	0.2
69.03461	1.2
69.89783	1.0
71.01390	3.7
71.05027	0.2
72.99301	0.2
73.02948	0.4
74.62582	0.2
81.03476	0.8
83.01399	0.3
83.05043	1.2
85.02969	0.7
87.00896	1.3
88.98821	0.6
89.02459	0.6
91.79157	0.2
93.03474	28.1
93.92904	0.2
94.03267	0.2
94.03806	1.0
95.01407	0.2
95.05049	0.4
96.18467	0.2
96.96014	0.4
97.02978	0.2
99.00917	0.5
99.04545	0.8
101.02449	0.6
104.64573	0.2
105.03471	1.2
109.02968	1.3
111.00905	0.8
111.04546	5.1
113.02483	0.7
121.02998	0.3
123.04563	0.3
125.02438	0.3
127.04002	0.3
133.02983	7.7
134.03835	1.6
135.04555	5.1
137.01434	0.4
137.02470	6.5
138.02797	0.2
139.04036	0.4
141.09251	0.3
150.03329	0.2
151.00380	0.3
151.04077	0.2
155.03535	5.0
156.04065	0.2
159.03012	0.2
163.04024	0.4
173.04579	100.0
174.04924	4.5
177.01950	5.7
178.02753	3.4
178.06294	0.2
179.03505	2.6
180.03757	0.2
187.07610	0.4
191.05608	1.9
193.08727	1.7
200.20313	0.2
209.11865	0.3
214.06451	0.4
215.07144	0.5
229.08682	0.5
241.12457	0.3
244.88457	0.2
274.08411	0.3
301.03217	0.3
311.12955	0.5
327.12573	0.4
348.05725	0.5
371.11044	2.6
371.15628	1.4
372.11533	0.2
465.12802	0.2
482.44504	0.2
545.15912	1.9
545.32935	0.4
546.16620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01231	0.5
50.18580	0.5
50.25296	0.5
57.03453	6.3
57.94652	0.6
58.28174	0.5
59.01383	8.4
61.98837	9.1
67.01908	0.9
71.01385	6.6
71.69926	0.6
73.02958	2.3
77.03972	1.7
79.40736	0.6
81.03481	1.9
83.01390	0.9
83.05055	3.6
83.05467	0.5
85.02967	3.4
87.00891	2.7
88.98826	5.3
89.02445	3.3
89.03976	1.1
93.03475	9.5
95.01383	0.6
95.05025	4.5
96.96034	1.8
99.00915	1.0
99.04573	1.7
101.02468	4.3
105.03477	12.9
106.04285	0.8
109.02962	2.3
111.00900	1.3
111.04546	8.0
113.02467	1.0
119.03532	0.9
119.81831	0.6
121.02984	2.4
123.04526	2.9
125.02522	0.8
127.04051	0.8
129.01970	1.1
133.02983	100.0
134.03815	21.1
135.04553	67.5
136.04881	3.2
137.02467	15.5
139.04036	5.0
150.03247	1.8
151.00421	1.4
151.04106	1.0
155.03528	8.4
161.02449	0.8
161.88385	0.6
163.04039	2.6
165.01884	0.9
173.04572	22.1
174.04965	1.1
177.01956	86.6
178.02734	49.6
178.06256	4.9
179.03516	39.3
180.03900	2.3
191.05658	7.0
193.04993	0.7
193.08725	20.8
194.09093	1.1
195.10260	2.6
209.11980	1.2
217.72772	0.7
239.12808	2.1
251.16525	1.2
270.07617	0.9
283.13373	1.4
293.08633	0.7
327.12418	8.1
327.16092	0.9
328.12793	1.5
351.07220	0.7
352.08118	1.1
367.09933	0.7
371.11365	64.7
372.11804	8.1
401.18243	9.7
402.18707	1.4
443.19479	4.3
444.19717	0.8
456.57880	0.7
456.80292	0.7
465.13010	1.6
520.22217	2.1
520.72412	1.0
545.16223	9.3
545.33612	3.1
546.16687	2.0
546.33728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31990	0.2
53.97414	0.2
57.03446	3.1
58.00602	0.3
59.01383	5.3
60.01725	0.2
60.99307	2.0
61.98833	10.0
65.03948	0.4
67.01894	8.7
68.02237	0.3
69.03458	1.9
69.75172	0.2
70.63011	0.7
71.01392	4.8
71.05019	0.3
72.99306	0.5
73.02959	0.6
77.04001	0.2
78.95895	0.3
81.03474	1.7
83.01391	0.6
83.05032	1.6
85.02959	6.1
85.03442	0.4
87.00883	7.8
88.98816	0.8
89.02463	0.4
89.03992	0.2
93.03470	50.9
94.03790	1.5
95.01402	0.4
95.05038	0.8
96.96029	1.2
96.96956	0.5
97.02989	0.4
99.00893	0.9
99.04530	3.4
101.02441	1.1
105.03479	2.3
105.72739	0.2
107.05032	0.2
108.02221	0.3
109.02983	2.5
111.00929	1.0
111.04536	7.5
112.04897	0.3
113.02470	1.0
115.04005	0.6
119.05064	0.3
121.02984	0.5
123.04536	0.5
124.01659	0.3
125.02478	1.5
127.04024	1.5
129.01965	0.6
132.02153	0.6
133.02977	15.4
134.03821	3.1
134.58118	0.2
135.04549	8.9
136.04900	0.5
137.02467	5.3
139.04042	0.8
143.03531	0.7
145.02974	0.3
149.06097	0.2
150.03232	0.6
151.00468	0.2
151.04001	0.5
152.03542	0.8
155.03523	4.5
156.03833	0.2
156.76776	0.2
160.01707	2.1
161.02461	5.8
161.04523	0.2
162.02875	0.2
163.04004	0.6
164.04785	0.5
171.03056	0.4
173.04572	77.2
174.04910	3.2
175.04042	0.2
177.01949	8.3
178.02722	4.9
178.06371	0.6
179.03506	4.6
179.07059	0.6
180.03923	0.2
191.05629	100.0
192.05980	4.5
193.05081	0.3
193.08733	1.2
197.06276	0.2
215.05603	1.9
227.74629	0.2
249.92111	0.2
254.08182	0.4
256.09790	1.5
257.10071	0.2
271.02356	0.3
300.02866	0.3
307.08105	0.6
308.08856	0.2
327.12466	0.6
337.09344	0.5
351.07230	5.2
352.07648	0.8
353.10297	6.5
354.10669	1.3
366.09604	0.9
367.10284	0.8
371.11377	3.6
372.11749	0.6
380.04221	0.2
381.03461	0.3
482.07181	0.3
483.06281	0.5
545.08917	0.3
545.16534	8.4
545.32990	0.4
546.16901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
63.13098	0.4
67.01873	0.5
68.21283	0.3
69.03451	0.9
71.01389	1.2
71.70850	0.6
78.95909	0.4
83.05010	0.5
85.02951	6.1
85.70012	0.3
87.00888	2.1
88.98815	0.5
93.03482	2.9
96.96996	0.6
97.02962	0.9
99.00861	0.3
99.04554	0.4
109.02955	0.5
111.00919	1.9
111.04504	0.9
127.04022	1.2
133.02985	1.0
135.04555	2.5
154.78050	0.3
155.03572	0.5
161.02464	0.9
171.02992	0.4
173.04575	3.6
179.03561	1.9
191.02100	3.1
191.05629	100.0
192.05978	4.9
193.52475	0.3
203.02008	4.5
301.13412	0.3
321.47446	0.4
353.08749	17.7
354.09082	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	545.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75581	0.4
53.63992	0.4
59.01364	1.0
67.01890	0.5
67.23056	0.5
68.35365	0.4
71.01372	1.2
71.68903	0.6
85.02965	6.6
87.00903	2.3
89.02460	0.4
93.03492	3.2
96.97005	0.6
97.03000	0.8
110.34511	0.4
111.00906	3.1
111.04541	0.7
127.04048	1.4
129.01935	0.7
133.02995	1.2
135.04558	2.8
149.00293	0.5
161.02486	1.3
173.04599	5.3
174.04893	0.5
179.03543	3.1
191.02119	4.1
191.05641	100.0
192.05981	4.1
203.01997	2.7
353.08786	17.5
354.09183	2.5
407.10333	0.5
419.01117	0.4
522.22290	0.5
528.90399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.296
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
50.01458	0.7
52.16773	0.6
56.96190	0.6
57.67045	0.6
59.01369	2.6
61.98832	8.1
73.08702	0.8
78.04305	0.8
78.95908	0.9
85.27528	0.6
88.98808	2.6
89.02445	0.7
93.03458	0.9
95.05074	1.1
97.62856	0.6
104.20863	0.8
105.03478	6.4
109.76180	0.7
117.03470	1.2
121.03001	0.9
123.04614	0.8
125.94803	0.7
132.02173	4.2
133.02977	22.1
134.03772	31.6
135.04553	15.4
136.04794	0.8
137.02483	5.9
139.04047	2.2
145.06613	1.6
147.04594	1.6
148.05331	11.0
149.06085	5.5
158.07333	1.5
160.01678	27.3
161.02477	11.8
161.06023	1.1
173.04547	0.8
175.04028	61.2
176.04382	3.0
177.01923	2.0
178.02734	6.9
179.03535	8.9
187.62970	0.7
191.05563	0.9
193.05077	21.1
194.05443	1.8
255.23372	1.5
256.23749	1.6
272.10510	0.9
275.20209	2.1
285.11319	1.3
293.21213	3.3
295.13452	1.1
311.13174	0.8
325.14490	2.1
383.25891	2.2
437.23135	2.4
451.24869	18.3
452.25128	3.5
455.25006	0.8
469.25949	23.6
470.26187	3.8
480.34418	1.5
528.26904	0.8
543.29584	100.0
544.30005	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13813	0.1
53.83537	0.1
54.41850	0.1
59.01381	100.0
60.01715	1.0
61.98828	0.6
70.55776	0.4
79.95850	0.1
110.63741	0.1
249.14833	0.1
321.03189	0.1
328.95889	0.1
383.41171	0.1
386.39072	0.1
404.25809	0.1
438.11853	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
59.01376	1.8
61.98830	3.6
63.02401	7.2
65.00322	7.3
65.00666	0.5
67.01893	0.4
68.99838	0.4
69.90112	0.3
70.28945	0.6
70.29346	0.6
71.01395	0.9
78.95933	0.3
81.03481	0.4
83.01398	7.7
83.01869	0.5
83.05029	0.3
85.02964	0.6
89.02477	0.4
93.03468	1.6
94.98076	0.4
95.01414	0.8
96.96039	1.2
96.96976	0.5
99.04524	0.5
101.02464	0.8
101.63386	0.3
107.01404	17.0
107.32330	0.3
108.01682	0.5
108.99395	0.3
109.02950	1.7
111.00909	0.5
121.03001	0.5
123.00915	0.5
124.01691	3.3
125.02467	12.3
126.02856	0.4
126.29017	0.3
133.02960	1.7
135.00917	0.4
135.04549	1.5
137.02460	1.5
139.00389	0.5
149.02475	0.5
150.03285	0.5
151.00392	59.1
152.01199	9.5
153.01970	4.9
158.03682	0.3
159.04517	0.9
161.02487	0.7
161.06105	0.5
163.00397	0.7
163.04034	0.3
166.74525	0.3
169.01450	10.0
169.23471	0.3
170.01808	0.5
173.04570	2.4
173.06114	2.4
174.06822	0.4
175.04050	0.7
175.07672	0.6
177.01947	2.4
178.99878	100.0
180.00209	5.1
181.01443	0.9
182.03677	0.4
186.06920	0.5
187.04024	1.2
187.07629	1.6
188.04785	1.2
189.01965	0.8
189.05568	2.2
189.09372	0.3
190.02686	1.2
191.05650	2.7
193.17725	0.3
197.06111	0.8
199.07643	2.1
200.04797	3.0
201.05505	1.3
202.06310	0.7
203.03563	0.5
211.07655	0.3
212.04713	0.5
214.02789	0.8
215.07130	19.1
216.04378	0.3
216.07721	1.9
217.08649	4.0
219.02975	0.5
219.06587	0.7
225.05623	1.9
226.02715	0.5
226.06407	0.4
227.03525	0.4
227.07043	2.3
232.03755	1.2
239.03287	0.3
239.07149	0.6
241.01349	0.4
241.05043	1.3
242.02174	0.5
242.05817	0.9
243.02977	0.7
243.06630	2.7
245.08138	0.3
253.05025	3.7
254.05823	1.1
255.03052	1.2
255.06447	0.4
265.08517	0.5
267.06784	0.4
268.07217	0.4
269.08133	0.4
271.02527	2.2
271.06122	8.4
272.06479	0.7
277.05289	0.5
278.05698	0.5
280.07550	0.6
282.05029	0.3
291.06711	0.4
293.04840	0.6
293.08200	0.6
294.05405	0.6
295.06085	0.6
296.03201	0.7
299.02008	1.1
300.02765	4.1
301.02997	0.4
305.08261	0.3
306.05319	0.6
307.09946	0.7
311.02100	0.7
311.09171	1.0
321.04050	0.7
322.04828	0.9
323.09363	0.8
325.07104	1.8
325.10687	0.3
333.06470	1.1
335.09232	0.6
336.06406	0.6
351.08978	1.3
353.06696	10.0
353.11026	0.6
354.06952	1.6
361.07166	0.8
369.09671	0.7
378.07364	0.9
379.08240	5.0
380.08551	1.0
396.08597	0.5
397.09265	19.7
398.09421	2.0
417.12042	1.0
543.15009	57.9
543.31958	1.3
544.15381	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	543.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.3
59.01386	1.3
61.98835	5.5
63.02405	7.4
64.30575	0.3
65.00325	7.0
68.99820	0.4
70.99342	0.9
71.01398	0.8
73.17522	0.3
77.33774	0.3
78.95893	0.5
80.02699	0.4
81.03458	0.4
83.01403	7.8
83.05040	0.3
85.02982	0.6
93.03474	0.6
94.98117	0.5
95.01402	1.1
96.96021	0.9
96.96997	0.9
99.04532	0.7
101.02515	0.5
107.01406	15.6
108.01726	0.5
108.35866	0.4
109.02971	1.4
111.00911	0.5
111.04544	0.4
123.00901	0.9
124.01694	4.6
125.02476	13.3
126.02760	0.4
127.04086	0.4
135.00919	0.4
135.04535	0.6
137.02464	1.0
139.00420	0.5
143.05113	0.3
151.00400	63.2
152.01201	14.9
153.01958	4.3
158.03757	0.5
158.77248	0.3
159.04529	1.0
161.02541	0.8
163.00392	0.5
163.04161	0.4
169.01447	9.6
170.03703	0.4
172.05286	0.5
173.04572	0.8
173.06097	1.9
174.03145	0.4
175.04065	0.4
177.02036	1.7
178.99884	100.0
180.00218	5.4
181.01440	0.8
184.05385	0.4
185.06194	0.4
187.04041	1.4
187.07654	1.5
188.04820	0.8
188.08131	0.4
189.02019	0.4
189.05551	1.9
189.09213	1.1
190.02777	1.0
191.05707	1.8
191.07115	0.4
197.06058	0.7
198.06981	0.4
199.04092	0.4
199.07614	2.3
200.04778	3.4
201.05556	1.1
202.06378	0.7
211.03928	0.4
212.04868	0.7
214.02728	0.6
214.06358	0.4
215.07140	19.7
216.07703	2.5
217.08705	4.6
218.09052	0.4
219.06738	0.5
225.05553	1.5
226.06342	0.4
227.07178	3.3
229.01436	0.4
229.08859	0.4
232.03835	1.1
238.08736	2.9
241.05017	0.7
242.05815	0.9
243.03055	0.7
243.06628	2.2
244.07373	0.4
245.08145	0.8
253.05023	3.9
254.05690	1.5
255.03014	1.3
262.06342	0.4
262.42761	0.3
265.08493	0.5
267.06833	0.5
269.08258	0.7
270.05365	0.5
271.02530	2.8
271.06110	7.6
272.06415	0.5
275.50281	0.4
278.05942	0.6
283.09763	0.5
289.08871	0.3
291.06610	0.8
293.04587	0.6
293.08182	0.6
296.03183	0.6
299.01935	0.8
300.02777	4.0
305.08151	0.9
306.05478	0.3
306.08990	0.6
307.09695	0.5
308.03329	0.7
309.03812	0.5
309.07553	0.7
311.09323	0.8
321.04089	0.6
322.04901	1.6
323.09317	0.7
325.07138	1.5
333.07678	2.4
334.08228	0.8
336.06412	0.7
337.07001	0.5
350.04236	0.8
351.08676	1.6
353.02567	0.5
353.06699	8.1
354.07098	1.0
361.07156	4.2
362.07437	0.7
369.09741	1.0
378.07510	2.3
379.08252	9.0
380.08597	1.1
396.08545	1.0
397.09293	19.3
398.09924	2.1
417.11945	1.3
480.11069	0.5
525.14105	0.6
543.15057	58.9
544.15381	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	541.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
59.01387	5.2
60.99308	14.8
61.98835	16.3
70.25298	0.8
71.01395	2.1
71.41043	1.5
73.02941	0.7
75.72784	0.6
84.42154	0.6
88.98817	71.8
89.02465	1.4
91.15466	0.6
93.03466	1.6
96.96011	1.0
99.04517	1.8
101.02451	2.1
109.02982	16.2
113.02503	1.0
121.03022	0.9
123.04549	8.1
125.02442	2.6
133.02969	2.6
134.03836	0.9
135.04556	1.3
135.08157	2.5
147.04500	1.2
147.16512	0.6
149.02449	0.8
150.03249	1.0
151.04036	4.9
153.01901	0.8
159.04578	1.5
160.05240	0.8
161.02484	5.5
163.03955	0.8
167.03491	0.8
168.00700	1.2
173.04524	1.3
177.01958	18.7
178.02475	1.5
187.04132	1.4
189.01955	35.0
189.37709	0.7
190.02708	8.2
191.03490	8.0
191.05412	1.6
193.05060	2.0
196.77121	0.6
203.03606	4.0
216.00693	5.6
217.01428	31.1
218.01918	3.6
219.03020	11.4
231.02982	9.7
232.03423	1.3
281.04718	1.0
286.79449	0.7
289.07336	1.3
293.08914	1.7
306.07751	1.4
323.05606	2.7
329.06461	1.3
341.06680	82.3
342.07095	9.2
447.07901	1.3
451.10349	100.0
452.10672	16.7
478.10556	1.0
541.15967	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05828	0.5
57.64892	0.5
59.01367	1.2
61.98819	1.8
65.03950	0.6
72.05264	0.6
73.02959	1.1
81.03456	1.3
83.05032	2.7
85.02967	0.9
87.00892	0.6
93.03470	16.6
94.03829	0.7
99.00901	0.6
109.02954	0.5
111.04539	5.8
113.94485	0.6
135.04503	0.7
137.02467	9.5
145.03015	1.1
153.07132	1.3
155.03516	9.6
158.03816	1.7
159.04517	1.1
171.04533	2.5
172.05330	5.0
173.04575	4.3
174.03215	1.2
182.03720	1.8
183.04527	14.8
184.04965	2.0
185.06099	3.9
191.05634	4.6
195.04515	18.1
196.05298	29.3
197.05792	2.3
197.15382	0.6
198.06810	0.8
199.03961	1.2
200.04829	1.1
201.01848	0.8
209.06125	1.4
210.06761	0.6
211.07661	1.5
240.04253	1.2
253.12311	0.6
267.13879	1.4
279.21326	0.8
281.15555	2.8
295.16882	0.7
295.20715	1.1
313.21634	3.7
314.22089	0.7
323.20166	73.3
324.20508	9.9
341.21185	5.5
342.21689	0.9
357.20975	0.7
367.19153	100.0
368.19485	14.5
385.20319	1.5
464.17023	0.7
523.23376	6.5
524.23627	1.9
541.24390	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79286	0.5
57.03455	22.1
59.01385	23.5
60.99323	0.7
61.98837	100.0
65.77536	0.6
69.43147	2.0
69.43574	3.7
71.01385	5.0
72.99302	0.6
73.02959	1.9
73.16507	0.6
78.95895	0.6
83.01391	1.2
85.02959	1.7
87.00934	0.8
88.98811	2.9
89.02452	3.4
93.03482	1.6
95.01388	0.7
99.04534	31.1
99.97321	0.5
100.04860	0.9
101.02469	9.7
107.97060	0.5
109.02995	0.8
113.02457	2.9
116.92900	1.5
119.03533	1.5
125.02483	10.7
134.03656	0.7
135.04597	1.0
137.02541	0.7
143.03554	2.1
161.02531	0.7
161.04593	4.7
173.04601	2.5
174.05069	0.7
179.05638	0.7
191.05688	1.8
219.05130	0.6
272.09314	0.7
276.09937	0.6
301.03574	0.7
309.04126	0.5
333.19281	3.3
361.21594	0.7
375.20227	8.4
415.23480	1.7
433.24533	0.9
450.14923	0.8
477.23416	39.3
478.23743	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	540.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	19.1
59.01381	15.7
60.99314	0.7
61.98835	100.0
62.98552	0.6
67.01888	0.8
69.68283	4.9
71.01389	8.4
72.99339	0.6
73.02954	4.7
78.91875	0.8
78.95925	1.6
79.05580	0.7
81.03478	1.4
83.01411	2.7
85.02969	1.4
87.00896	0.6
88.98839	2.4
89.02469	3.5
93.03484	2.3
95.01411	0.6
95.05067	0.9
97.06659	0.7
99.04543	24.7
100.04898	0.7
101.02461	13.6
109.02952	4.0
110.67453	0.6
111.04545	0.9
113.02482	5.8
119.03542	2.4
123.04545	4.9
125.02466	11.1
131.03557	1.0
134.02576	1.0
135.04605	0.7
137.02521	0.9
141.05634	1.0
143.03575	2.4
145.03040	0.9
149.04619	2.6
152.99699	0.8
153.05605	1.6
155.03543	0.7
161.04572	4.9
169.06659	1.5
173.04619	3.7
179.05649	1.3
191.05667	4.3
192.05962	0.7
197.06094	5.7
218.60722	0.6
221.06715	1.7
225.05592	17.2
263.07733	0.7
268.06140	5.0
270.07770	1.5
272.09332	4.1
323.09814	1.2
343.24921	0.9
477.23505	10.7
478.23990	2.3
540.29492	2.1
541.30011	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	540.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01376	3.8
61.98834	22.7
65.00343	0.6
70.39426	1.8
71.01391	1.8
78.95925	0.6
79.89686	0.4
83.01385	0.5
85.02952	1.5
88.98344	0.5
88.98833	2.8
89.02435	0.7
93.03466	1.0
96.96062	0.4
96.96937	0.5
99.04541	1.1
99.92585	0.7
101.02457	1.3
108.02194	0.5
109.02982	2.2
113.02441	0.8
116.92876	2.9
119.05035	0.8
121.02962	2.7
123.04557	0.4
125.02436	0.8
126.15354	0.4
130.33629	0.4
133.02986	1.1
135.04494	1.0
137.02440	1.3
151.00407	0.9
160.01674	0.4
161.02451	1.9
161.04594	0.5
165.01945	8.4
165.05666	0.5
173.04529	1.3
177.01915	0.5
179.03481	0.7
191.05600	1.1
193.01448	1.9
199.03932	0.7
215.03580	0.6
227.03439	1.6
243.02954	3.1
254.02118	1.0
255.03036	1.6
269.04492	1.7
271.02481	32.4
272.02817	4.2
285.04083	1.7
286.04926	0.5
287.05655	1.0
299.01984	58.7
300.02493	10.0
314.04327	70.7
315.05026	37.6
316.05508	3.0
340.08255	0.9
377.13690	0.5
378.13943	0.7
477.10403	100.0
478.10757	16.1
479.32428	2.0
480.32849	0.6
522.24738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01381	2.3
61.98834	21.4
65.00323	1.5
70.85128	1.3
71.01392	0.9
76.85315	0.4
85.02980	0.6
88.98812	2.2
89.02457	1.0
93.03468	1.0
96.96017	0.7
99.04523	1.4
101.02447	1.2
108.02175	1.2
109.02984	1.0
109.37985	0.4
116.92867	1.2
120.99632	0.6
123.04436	0.5
133.02998	1.6
134.03749	0.7
135.04514	1.6
136.98842	3.7
137.02441	0.9
139.00378	0.5
145.02971	0.6
149.99701	0.5
152.01147	1.3
152.07161	0.5
161.02448	1.0
163.00360	1.4
164.98393	0.6
165.01907	0.5
165.99068	0.9
173.04529	1.4
174.03374	0.6
175.04060	0.5
177.01898	0.5
179.03522	0.5
189.10492	0.5
190.99849	0.5
191.05608	1.2
199.04031	1.3
200.04597	1.2
201.01994	0.9
202.02698	0.7
203.40712	0.4
213.01804	0.5
214.02721	0.5
215.03532	0.6
216.04225	0.7
227.03545	1.6
228.04301	1.6
239.03615	0.5
243.03008	2.0
243.06647	0.7
244.03729	0.7
255.02951	1.8
256.03711	1.6
271.02493	3.5
271.05212	0.5
272.03140	1.0
285.04065	0.5
299.02039	7.3
300.02753	40.0
301.03171	5.4
314.04333	9.3
315.05099	100.0
316.05411	10.8
375.86533	0.5
378.21899	0.5
384.76865	0.4
407.07608	0.9
477.10406	66.8
478.10666	9.2
508.53815	0.5
541.19263	0.7
558.04767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20102	0.2
52.78779	0.2
58.00597	0.9
59.01374	0.6
61.98821	0.6
66.73473	0.3
68.45680	0.3
69.73856	0.6
69.74265	1.6
71.01384	1.5
71.83698	0.3
72.00919	11.4
73.02980	0.6
74.20926	0.3
78.51642	0.3
78.95914	4.1
85.02961	1.0
87.00890	1.6
87.94029	0.3
88.98826	1.1
93.03478	1.2
96.96000	0.3
96.96979	1.0
99.04526	0.3
101.02455	0.7
101.47140	0.3
111.00923	2.7
111.04543	0.4
113.02466	0.7
116.92870	0.4
119.05086	0.6
121.02982	0.8
122.03755	0.6
129.01973	0.5
134.03789	0.4
134.04720	0.7
135.04546	1.7
138.05646	0.4
143.03519	0.9
145.02939	0.7
147.04550	36.6
148.04866	2.3
149.01273	0.4
149.02472	9.2
150.03255	14.6
151.03656	0.7
153.01976	0.4
158.92557	0.8
161.02470	0.9
161.04590	2.6
162.03250	1.2
163.04001	0.7
164.04863	6.1
164.07193	100.0
165.05594	37.0
165.07553	5.3
166.05949	1.9
173.04608	1.5
177.05588	0.7
179.03540	0.8
180.04260	1.5
184.98476	0.4
187.00945	0.5
187.02489	2.3
187.57358	0.3
191.05635	3.8
195.06653	18.0
196.07034	1.2
257.31424	0.3
272.95615	0.5
327.10889	14.6
328.04620	0.3
328.11163	1.4
339.11014	0.4
346.05386	0.4
353.08752	0.8
355.09372	0.5
357.11893	1.1
367.10376	3.2
375.06601	1.3
540.05457	1.3
540.13696	1.1
541.14978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91288	0.4
55.01983	1.5
57.03291	0.7
57.03537	1.0
58.00673	0.7
59.01155	2.6
59.01486	11.0
59.56166	0.4
61.01919	0.5
61.98909	0.6
65.01653	0.4
66.20621	0.5
69.60649	3.9
71.01071	2.3
71.01511	11.4
72.99416	1.1
73.02639	0.9
73.03079	5.0
78.96030	0.6
83.01006	0.6
83.01541	4.5
85.02538	1.2
85.03108	8.8
86.00225	1.0
87.01006	0.9
88.98929	0.6
89.02617	2.6
93.03619	2.4
95.01549	1.8
96.96129	0.6
99.01053	2.2
99.04646	0.5
101.01884	1.4
101.02626	12.4
108.02353	1.6
109.02458	0.8
109.03135	2.1
111.00353	0.5
111.01074	1.4
113.02637	4.2
119.03662	0.7
121.03158	3.8
122.03931	4.8
125.02579	0.6
132.02383	1.3
132.38676	0.4
133.02983	7.0
133.05251	0.5
134.03793	2.2
135.04559	9.3
136.01828	0.9
136.05078	0.5
137.02597	0.6
147.04753	1.4
149.01378	1.7
149.02473	27.5
149.06281	1.7
150.02126	1.4
150.03256	37.3
151.03822	1.8
159.03140	0.8
161.02592	1.1
161.04752	1.3
161.06142	0.7
164.04799	5.3
165.04330	1.3
165.05598	30.9
166.06325	4.4
167.07324	1.3
173.04774	1.2
177.05708	0.5
179.03534	3.0
180.04488	1.4
181.08757	7.0
191.05862	1.7
195.06644	10.9
196.07037	0.8
212.13298	0.4
242.06046	1.8
243.06644	0.8
271.09778	2.6
314.11661	6.4
315.12393	2.5
317.00317	0.5
329.14008	13.1
330.14447	1.9
343.14001	12.0
344.14517	1.3
357.15573	0.7
359.07852	0.7
397.15140	0.9
447.18350	0.5
477.12091	0.7
491.19247	100.0
492.19571	17.8
492.26712	1.0
539.12079	2.2
539.21362	23.5
540.13269	1.0
540.21552	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	538.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98519	3.2
61.98834	59.0
69.14043	2.4
70.39453	6.9
72.35059	1.9
159.16641	2.0
175.01357	2.1
179.58659	2.1
197.15482	100.0
198.15836	8.3
234.56854	1.9
237.78937	1.9
274.14359	2.1
277.21786	12.0
300.28827	2.2
442.48309	2.0
510.15323	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25897	0.4
53.65202	0.4
57.03446	1.0
59.01396	2.5
61.98835	0.8
67.01885	0.6
69.03454	0.6
71.01388	3.0
71.28578	0.6
71.28895	0.7
72.99313	0.8
73.02956	1.2
73.30169	0.4
75.00892	0.7
81.03473	1.7
83.01387	0.5
85.02966	2.6
87.00887	1.1
88.98817	1.1
89.02451	1.1
91.01886	0.5
93.03480	2.1
95.01436	2.1
97.02970	0.6
99.04494	0.8
101.02470	1.9
107.01397	0.8
108.02190	58.5
109.02984	29.0
110.03333	0.9
111.00915	0.9
111.04479	0.5
113.02461	1.5
119.03537	0.6
121.02987	1.4
123.00910	2.0
123.04523	5.9
124.01726	0.5
125.02484	1.5
133.02992	0.6
135.00940	0.9
135.04546	1.6
137.02504	1.0
138.41701	0.6
147.04597	0.6
149.02486	1.0
150.03226	1.1
151.00423	1.4
151.04033	1.6
152.01175	59.0
153.01971	22.1
154.02328	1.0
161.02499	0.6
163.04031	1.3
165.01950	1.2
165.05608	1.3
166.02693	0.9
167.03505	12.9
168.03851	0.8
173.04578	3.4
174.04948	0.5
178.24559	0.4
179.03552	1.1
191.05611	4.2
209.04555	0.9
215.21272	0.4
225.03958	0.6
227.05643	0.6
229.04271	0.5
241.07231	1.7
293.10321	0.8
296.05298	1.1
297.06171	4.3
311.07660	5.2
361.11292	1.0
421.11340	3.2
433.07669	0.7
439.57684	0.5
465.10318	3.6
467.15619	0.9
491.18973	0.8
507.11462	0.7
539.14008	100.0
540.14386	14.4
540.22308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.5
59.01376	8.3
60.99293	1.0
61.98837	13.3
67.01887	0.9
71.01385	5.0
75.00861	1.3
78.91904	1.2
78.95922	1.7
80.91703	2.5
83.01380	1.6
85.02953	2.7
88.98816	9.0
89.02424	1.9
91.01896	2.5
92.02246	1.4
93.03476	9.0
99.04546	2.8
101.02437	3.6
108.02180	5.1
109.02980	26.0
109.74529	1.0
110.03325	1.6
111.04546	1.0
113.02444	1.8
117.66740	1.0
121.02942	1.3
123.00919	1.2
124.01738	0.9
125.02451	1.7
126.82266	1.1
134.02577	1.0
135.00912	3.5
135.04517	2.0
137.02458	10.9
141.01767	1.0
142.83266	1.0
148.01671	2.4
151.00276	1.2
152.01160	3.1
152.03552	17.7
161.02585	1.7
163.00389	2.7
164.03528	5.6
165.01831	1.5
173.04579	6.6
178.99881	9.7
179.03465	2.0
183.04466	1.2
190.99919	2.4
191.05618	6.1
192.00659	4.7
209.11810	3.7
211.04031	2.5
212.04756	1.6
225.03885	1.2
226.02728	2.9
227.03534	4.9
229.04984	1.6
239.03406	3.5
243.02945	2.0
243.06615	13.3
244.06970	12.3
245.07190	1.6
255.03008	10.9
256.03723	2.9
256.09787	66.6
257.04559	1.8
257.10013	5.8
264.03012	1.1
270.99606	1.6
271.02475	22.9
272.02911	4.0
281.06711	11.4
282.01749	3.1
283.02481	14.2
284.03040	1.8
299.01941	4.0
300.02664	3.4
301.03635	5.8
311.01978	4.0
328.02261	54.2
329.03003	60.9
330.03391	4.3
408.15414	1.6
448.09695	2.2
475.08841	100.0
476.09125	17.2
537.32532	1.3
538.16797	6.7
538.27362	1.6
539.17914	1.7
539.28369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26941	0.7
54.41212	0.9
55.41485	0.7
55.57937	0.7
57.03445	1.3
59.01385	3.0
61.98828	6.4
67.01890	2.8
69.03477	1.1
71.01398	3.8
71.69423	1.5
73.02930	0.8
74.14775	0.8
78.95918	5.2
81.03465	1.0
83.05058	1.2
85.02976	7.4
87.00895	2.5
88.98818	1.6
89.02474	1.3
93.03481	13.3
96.36559	0.8
96.96010	2.3
96.96983	5.4
101.02499	1.0
109.02972	2.4
111.00910	1.4
111.04531	4.1
127.04042	2.2
133.02948	2.2
134.03719	1.7
135.04552	36.0
136.04863	2.0
137.02487	6.7
138.05641	17.2
139.04063	1.0
147.04584	1.0
149.06119	1.1
151.04030	1.3
155.03528	3.2
156.03929	0.8
161.02473	3.4
164.07249	1.6
171.03075	0.9
173.04575	53.6
174.04927	3.0
175.76544	0.8
179.03528	35.0
180.03870	2.6
183.03052	1.2
184.06152	12.0
184.98595	5.3
191.05640	100.0
192.05989	7.6
195.06694	1.7
271.25781	0.8
328.44089	0.7
351.80844	0.8
353.08817	58.3
354.09119	8.4
382.09094	1.1
484.92188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.6
59.01385	10.3
60.01683	0.4
60.99323	1.0
61.98835	100.0
68.71444	0.3
69.03464	0.9
71.01394	6.4
72.99323	0.4
73.02972	1.1
75.00911	0.5
77.54186	0.3
78.95912	0.7
81.03489	0.4
82.62862	0.3
83.01387	0.6
85.02946	2.1
87.00903	0.6
87.04524	0.4
88.98824	5.6
89.02457	4.9
90.02822	0.5
93.03468	1.5
95.01424	0.5
97.02965	0.7
99.00909	1.0
99.04539	6.3
101.02459	3.7
108.02208	1.6
109.02991	1.3
113.02454	1.5
118.42619	0.3
119.03522	0.4
123.04565	0.6
125.02465	4.6
126.02814	0.7
131.03564	0.6
134.03734	0.4
135.00926	0.8
135.04538	1.0
136.01242	0.4
137.02496	0.7
143.03532	0.6
149.04706	0.3
151.00409	0.3
152.01196	2.6
153.01868	1.4
154.02301	0.4
159.02994	0.4
161.02354	0.4
161.04675	0.9
167.03555	0.4
173.04602	2.8
191.05621	1.8
192.06035	0.4
204.40491	0.3
231.03146	0.3
233.06725	1.3
234.07129	0.5
259.90836	0.3
293.08990	0.5
301.03256	0.4
313.16602	1.2
331.17575	2.9
373.18759	1.8
429.10193	2.2
430.10681	5.8
431.10867	0.8
449.15149	0.4
459.80496	0.4
475.21805	2.3
476.22974	0.5
479.32239	0.7
537.29309	0.4
538.29553	0.5
539.22272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
60.99303	1.6
61.98833	100.0
69.03463	7.1
71.01390	1.9
71.05020	1.6
72.99345	1.2
75.00882	9.3
78.95896	3.7
82.02968	2.5
85.02981	2.0
88.98817	6.1
89.02451	1.6
93.03460	4.9
99.71895	1.0
105.58002	1.0
109.75605	1.3
111.04502	1.5
117.01984	1.1
124.00390	1.2
133.02962	2.0
135.03026	19.9
137.02504	2.1
138.01994	1.5
142.85083	1.2
145.24197	1.0
147.04413	1.4
153.12868	2.1
171.13979	1.2
173.04558	4.4
176.07182	1.2
177.02025	1.2
178.16016	1.2
179.14404	3.0
181.15993	4.9
184.05695	1.2
191.05637	2.7
196.17099	6.4
197.15468	1.3
211.13390	1.9
220.17052	3.2
224.16557	4.5
234.14987	1.9
236.16565	3.9
237.14963	1.7
248.16588	2.2
252.16069	50.3
253.16391	6.2
266.17447	1.5
277.21695	12.1
280.15536	52.1
280.18628	2.5
281.15674	5.0
292.15674	3.1
293.21094	1.5
300.02829	2.2
312.23041	2.0
344.22137	1.2
356.22327	73.2
357.22693	9.7
370.19925	2.0
370.23901	2.8
384.21790	34.3
385.22125	4.9
388.21295	1.6
396.21786	9.8
397.21863	1.4
414.22891	11.3
415.23071	1.7
430.26050	1.9
447.09369	2.5
474.25967	6.3
509.21863	1.6
537.26349	2.5
537.75409	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76461	0.2
57.03445	0.4
57.74518	0.2
59.01380	2.6
60.99306	0.7
61.98833	1.3
65.00334	0.4
65.03963	3.9
67.01884	1.9
69.94828	0.2
71.01385	2.7
71.55811	0.2
71.71104	0.4
72.99308	0.3
73.02956	0.5
83.01395	0.3
85.02956	0.5
87.86182	0.2
88.98818	5.2
89.02457	3.3
91.01905	13.6
92.02266	0.2
97.02956	0.3
99.00896	0.5
99.04551	0.4
101.02470	1.0
105.01958	1.4
109.02971	27.5
110.03299	1.2
113.02478	0.4
121.03033	0.5
125.02459	1.6
127.80976	0.2
131.03537	0.6
135.00905	38.3
136.01237	1.6
149.04605	0.6
153.01959	100.0
154.02293	4.9
170.44205	0.3
173.04637	0.3
177.01942	0.6
177.99780	0.2
191.05678	0.9
193.05101	0.3
195.02982	0.4
213.05696	0.4
227.03514	0.9
233.06644	1.3
243.02864	0.3
243.06654	0.8
255.03011	1.7
271.02524	0.8
272.03091	0.2
284.03311	1.4
284.63916	0.3
285.04071	1.9
286.04523	0.2
293.08688	1.4
297.06168	0.5
300.02731	1.9
301.03568	1.8
333.49368	0.3
393.21371	0.6
429.10358	8.2
430.10651	0.8
431.09891	2.7
432.10349	0.4
447.09311	3.4
448.09717	0.6
537.32825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36814	0.6
53.74798	0.7
59.01385	1.1
61.98837	16.0
71.01385	7.3
71.70020	1.0
71.70387	0.7
78.95921	2.9
88.98825	1.7
93.03472	2.2
108.02195	30.3
109.02986	24.3
111.04519	0.7
115.00401	11.5
121.02962	2.5
122.03751	2.5
123.04553	0.8
133.02972	1.0
135.04559	13.1
137.02437	1.7
145.06589	0.9
147.04530	2.0
148.05331	0.7
156.96913	0.6
159.04541	0.8
161.06133	1.1
161.24147	0.7
172.05324	0.8
173.04585	2.3
173.06020	1.2
179.03526	7.0
185.06149	1.5
186.06914	2.6
191.05617	1.6
196.03842	1.2
198.06851	1.1
199.07707	1.7
200.08160	1.0
201.06003	0.7
214.06328	0.9
222.06729	0.7
242.05933	0.8
251.07141	1.0
259.16928	0.8
265.08868	0.8
267.06638	1.2
268.07516	0.7
270.08902	0.8
272.90558	0.7
277.21756	6.7
279.06659	1.1
280.07230	0.7
283.17004	0.7
293.08295	1.4
294.21002	0.8
295.09882	1.1
298.19504	0.8
299.20267	1.8
307.06335	1.2
308.10138	0.8
311.17020	0.7
311.20209	3.5
312.20825	1.3
325.18143	1.3
327.19675	9.4
328.19931	1.4
339.19693	9.4
340.20004	1.6
344.19946	0.9
357.17117	2.6
364.20575	0.8
371.18652	1.5
372.19342	1.6
391.19705	0.8
392.20016	4.3
393.20618	2.3
403.23074	0.8
421.19742	4.4
421.24707	13.8
422.24319	2.4
431.22238	1.4
433.20303	1.0
447.21863	1.5
449.23358	100.0
450.23746	17.8
474.26062	3.9
493.22318	22.5
494.22739	3.9
537.21075	14.9
538.21521	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	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01374	1.4
60.99295	0.7
61.98838	1.3
65.00330	0.5
67.01886	0.3
69.03455	0.2
70.44341	0.2
70.85627	0.2
70.85986	0.6
71.01387	1.9
72.99306	0.3
73.02954	0.3
74.34229	0.2
75.00880	3.6
78.91885	0.8
78.95921	0.2
80.02697	0.5
80.96521	0.2
81.03445	0.4
83.01409	0.2
83.05032	0.2
85.02955	0.8
87.00893	0.4
88.98817	3.2
89.01968	0.2
89.02441	1.0
91.01907	13.3
92.02246	0.5
93.03473	3.2
95.01411	1.0
99.00915	0.4
99.04572	0.3
101.02454	1.3
107.01373	0.2
107.05063	0.5
108.02188	16.3
109.02980	13.7
109.03552	0.2
111.00920	0.2
111.04509	0.4
113.02461	0.6
121.02967	1.0
123.00907	5.1
124.01677	0.6
125.02442	0.5
127.03994	0.2
131.03522	0.2
133.03000	0.3
134.02493	0.3
135.00906	13.7
135.04538	0.3
136.01253	0.4
137.02463	7.1
149.02467	0.3
151.00406	0.3
152.01184	15.4
152.03554	6.0
153.01770	1.0
155.03603	0.3
156.03918	0.2
159.04568	0.2
163.00397	0.3
164.03543	2.3
169.06583	0.2
171.75359	0.2
172.05344	0.3
173.04570	1.5
178.99940	0.9
179.03395	0.3
187.03964	0.2
190.99809	0.2
191.05614	4.2
192.00710	0.4
192.05965	0.6
197.06151	1.3
199.03903	0.2
199.07724	0.4
202.06342	0.2
206.99400	0.2
209.11882	0.8
210.12218	0.3
211.03975	0.4
213.05630	1.2
215.07112	1.0
225.05525	0.2
227.03610	0.3
233.06664	0.3
239.03523	0.4
241.04997	0.2
243.06618	100.0
244.06953	9.7
255.03044	1.3
256.09787	27.8
271.02448	2.6
281.06674	5.7
282.01642	0.3
283.02475	1.7
283.13409	0.7
293.08704	0.7
299.02045	0.4
300.02725	1.3
301.03577	1.4
301.14554	0.4
311.02084	0.4
321.04578	0.2
327.16040	0.5
328.02216	5.7
329.03033	5.5
415.66080	0.3
418.14914	0.3
419.49765	0.2
429.10315	1.8
430.10751	0.2
447.09207	1.7
448.09381	0.3
475.08817	10.0
477.31314	0.2
504.70975	0.2
511.72055	0.4
512.22223	0.2
520.72583	1.3
521.22632	0.6
537.16132	10.1
538.16748	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	537.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03444	0.6
59.01376	11.0
61.98835	4.0
64.99193	0.4
68.99831	0.4
69.26110	0.4
71.01389	1.2
71.05026	6.2
72.80083	0.4
83.01398	0.6
84.30110	0.4
84.47348	0.4
85.02993	0.6
85.06607	2.8
88.98834	1.3
89.02457	1.0
93.03478	1.4
95.05042	15.2
97.02969	18.2
98.03323	1.0
99.04525	0.7
101.02479	1.1
107.19307	0.4
108.02206	0.7
109.02975	15.2
110.03296	0.6
113.02512	0.7
113.06091	2.5
115.04053	3.0
120.99686	0.6
121.02991	0.7
122.57629	0.4
123.00974	0.6
131.07170	21.1
131.91861	0.4
132.07466	0.7
133.03050	0.6
135.04529	1.4
137.02469	1.6
139.04042	51.7
140.04323	2.3
143.07089	0.4
144.56079	0.4
145.93866	0.4
153.01970	42.6
154.02277	1.3
165.01959	19.0
166.02263	1.1
173.04587	1.5
173.08218	7.3
179.03519	0.8
183.03015	100.0
184.03371	4.1
191.05656	2.2
227.45471	0.5
254.08253	0.6
288.07037	0.6
319.04599	19.0
320.04861	2.2
407.91525	0.5
447.09247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99030	1.0
60.99314	14.0
70.23072	0.6
70.56796	2.1
76.96445	0.7
79.06217	0.6
88.98819	100.0
89.99153	1.0
101.54343	0.5
102.75032	0.5
107.01394	0.7
109.02986	0.6
121.02982	0.8
125.60796	0.5
126.21869	0.5
134.29663	0.5
151.00385	5.8
153.87331	0.5
163.00385	1.2
164.01060	0.7
171.59329	0.6
178.99876	2.3
194.68608	0.5
227.03426	1.2
239.03482	0.6
243.03030	2.3
254.02228	0.9
255.03017	8.8
256.03561	0.7
271.02502	16.5
272.02939	2.4
283.02481	1.2
300.02780	34.1
301.03522	29.4
302.03909	1.7
447.09360	70.0
448.09610	10.8
462.50394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.5
59.01382	6.0
60.37022	0.4
60.99305	14.8
61.98832	41.9
63.02403	0.5
69.68416	1.9
69.68842	1.2
71.01393	2.4
73.02949	2.5
74.46290	0.4
83.01398	1.0
83.05048	0.5
85.02965	1.8
87.00911	0.9
88.98817	100.0
89.02455	2.2
89.99139	1.0
93.03469	0.9
99.04533	1.8
99.92595	0.7
100.92641	0.5
101.02448	2.8
102.17315	0.4
102.98631	0.8
107.01383	1.1
108.02191	0.7
109.02976	1.2
111.04567	0.5
113.02461	1.5
116.92883	7.5
117.01958	0.8
117.92883	3.1
118.36786	0.5
118.92717	0.7
118.98095	0.6
119.03554	0.8
121.02950	1.1
125.02455	1.0
125.48653	0.4
133.02956	2.0
134.03749	0.6
135.04529	0.9
137.02440	0.8
145.02979	0.6
147.04500	0.5
149.02454	0.9
151.00415	2.7
152.01146	0.4
161.02385	0.6
161.04610	1.0
163.04031	1.1
163.06126	0.6
165.01929	0.7
166.02657	1.0
167.07158	1.3
173.04558	1.9
175.04002	2.3
176.04778	1.8
177.01863	0.5
177.05582	2.8
179.03474	1.5
179.05661	0.6
180.04271	1.1
189.05545	0.4
191.05597	2.5
191.07033	2.7
193.05070	1.8
194.05835	3.6
195.10316	0.4
199.03957	0.8
201.01898	0.4
208.07272	0.9
217.05099	0.6
227.03387	0.6
243.03053	0.5
255.03123	0.4
256.03912	2.0
257.04376	0.5
271.02252	0.5
283.02805	0.5
284.03271	34.2
285.04034	78.2
286.04367	7.8
286.07294	0.7
301.03641	0.6
305.16229	1.0
327.05252	1.3
345.13431	14.3
346.13858	1.1
347.17233	0.5
357.10443	0.5
357.19284	0.5
375.14502	4.9
378.23083	0.4
447.09332	93.4
448.09625	12.0
537.20746	2.3
537.32465	1.0
537.40118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56734	0.6
59.01386	1.1
71.01394	0.8
71.70186	0.8
72.92194	0.6
77.14806	0.6
78.95934	1.5
85.02962	1.3
87.00852	0.8
88.98833	1.4
89.02462	0.8
92.05084	2.1
93.03476	1.4
94.02985	1.3
96.96984	2.6
101.02502	0.7
108.04574	26.2
109.02978	1.4
111.04554	0.8
120.04565	2.5
122.02530	1.3
135.04504	3.3
137.02431	1.2
138.05634	73.4
139.06017	3.7
152.79492	0.6
153.01935	1.1
153.05618	0.6
157.07698	0.7
162.81921	0.6
173.04565	2.0
179.03598	1.3
182.04607	100.0
183.03400	0.7
183.04953	6.0
191.05656	9.1
192.06006	0.6
286.11642	0.6
353.08755	2.5
371.09787	0.8
407.92126	0.6
536.14752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
58.39671	0.3
59.01379	2.4
61.98837	1.3
67.01904	0.4
69.03443	0.5
71.01385	1.8
71.59072	0.8
72.99306	0.5
73.02952	0.6
77.07084	0.3
78.95933	0.5
79.68318	0.4
81.03479	1.4
83.05049	1.2
85.02441	0.9
85.02960	15.0
86.03345	0.5
87.00891	2.9
91.05543	0.4
93.03471	11.0
99.04541	1.5
107.05058	1.5
109.02980	2.3
111.04529	4.9
113.02447	1.0
115.82364	0.5
117.03497	1.8
120.59788	0.4
121.02958	0.4
127.04066	3.5
132.02208	3.4
133.02988	10.1
134.03778	14.8
135.04552	56.0
136.04910	2.5
137.02480	1.8
146.03745	0.6
147.00980	0.5
148.01677	1.0
148.05334	0.9
149.02441	2.7
150.03265	1.9
152.99551	0.6
153.01945	0.5
155.03488	3.1
160.01727	0.8
161.02486	10.0
162.03256	2.3
163.04036	1.1
171.03064	0.8
172.05391	0.7
173.04588	4.6
174.03282	0.6
175.00386	0.7
175.04036	2.0
176.04810	0.5
177.01958	0.4
179.03543	7.8
185.76978	0.4
186.03261	0.5
188.01225	0.4
189.01971	0.4
189.05721	0.4
190.02722	1.2
190.06372	0.8
191.05640	70.3
192.04448	0.6
192.05971	2.9
194.02226	2.0
200.04764	0.7
202.02740	0.4
204.04279	0.4
215.03522	1.0
230.02264	0.5
236.03284	0.6
240.68753	0.4
244.03618	0.6
262.04749	0.4
266.04633	0.4
271.17047	1.7
273.18561	1.7
287.16513	8.4
288.16840	1.1
289.18106	61.8
290.18439	6.9
299.16498	2.5
299.19583	0.5
315.16077	4.7
316.16394	0.6
317.17615	17.1
317.20892	0.6
318.17889	2.3
333.17130	6.2
334.17426	0.6
343.15530	62.0
344.15869	8.1
361.16589	88.5
362.16898	11.2
362.21240	0.8
517.20844	1.7
535.21814	100.0
536.14111	0.9
536.22217	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
65.34802	0.8
66.09423	0.8
71.63178	1.4
171.13882	1.3
189.62270	0.9
247.06390	13.8
248.06883	1.5
275.05841	8.2
302.04547	1.3
303.05405	8.0
304.05643	1.1
344.76898	0.9
401.19934	1.1
429.19501	7.7
430.19885	2.1
457.18991	5.7
472.21283	25.6
473.21625	3.8
535.31830	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	535.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
59.06239	0.3
61.67772	0.4
61.98830	1.0
63.69260	0.4
67.01893	1.2
69.03468	1.1
70.05995	1.8
71.01388	1.7
73.02956	0.7
78.95895	0.6
81.03442	0.5
83.05035	0.7
85.02966	9.1
87.00883	1.9
89.88071	0.4
93.02922	0.7
93.03476	9.7
94.03804	0.5
98.19923	0.4
99.04530	1.1
109.02957	0.9
111.00910	0.6
111.04531	2.5
113.02468	1.2
117.03503	0.6
120.56310	0.4
125.02453	0.4
127.04066	2.0
132.02180	3.7
133.02985	10.1
134.03772	3.8
134.89514	2.8
135.04550	13.9
136.04932	0.6
137.02432	2.2
143.03531	0.6
145.02966	0.4
146.03760	0.7
147.00940	0.8
148.01631	1.1
148.05273	0.4
149.02451	0.8
150.03215	0.8
155.03525	1.1
160.01711	1.3
161.02466	8.8
162.03136	0.5
172.05304	0.4
173.04579	6.8
174.03249	1.0
175.03987	0.7
179.03540	4.6
184.05273	0.4
189.01921	0.4
191.05632	52.0
192.05972	2.0
198.03392	0.5
209.40826	0.3
215.03525	1.0
218.02025	0.5
230.02174	0.5
244.03740	0.5
263.90671	0.4
271.17117	0.6
273.18622	0.6
274.01907	0.4
287.16537	9.5
288.16858	1.1
289.18073	12.6
290.18478	1.2
297.15070	0.6
298.15414	0.4
299.16498	0.6
315.16000	6.2
316.16449	0.6
317.17621	4.3
317.20990	0.7
325.14661	1.0
333.17099	4.3
334.17258	0.4
343.15527	100.0
344.15894	12.3
344.19315	0.3
361.16583	38.9
362.16879	4.8
517.20721	1.0
535.21826	48.6
536.22186	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	535.1457
Annotation	5,4'-Dihidroxy-7,8,2',3'-tetramethoxy flavone 5-glucoside
Peak:m/z	Relative Intensity
57.14034	0.7
58.18603	0.5
59.01385	4.7
60.99316	1.0
61.98830	1.1
67.01895	0.7
71.01389	9.0
71.70245	1.2
73.56289	0.5
74.29801	0.5
75.00894	0.7
85.02965	1.9
87.00881	1.9
88.98795	1.5
89.02452	2.8
93.03487	4.4
96.96980	0.7
101.02453	1.9
108.02184	5.9
108.22301	0.6
109.02985	16.3
111.00908	0.8
111.04559	1.2
113.02480	1.4
114.55193	0.6
115.00405	10.3
116.92857	0.6
118.30442	0.6
119.05061	0.6
121.02982	3.6
122.03770	20.0
123.00812	0.8
123.04523	2.0
124.01689	12.3
125.02542	0.8
128.03526	0.8
128.90221	0.9
129.01982	0.9
133.02980	25.5
134.03662	2.0
135.04561	9.9
136.04907	0.9
137.02477	6.7
141.92725	0.6
145.02977	1.8
146.03749	2.9
147.03368	0.8
147.04546	18.9
148.05336	28.4
149.05980	1.9
154.02788	4.3
155.03552	1.1
158.03694	0.7
159.04538	3.4
160.01703	0.9
160.05318	2.2
161.02425	1.4
161.06107	13.7
162.06577	1.0
163.04041	3.1
173.04578	6.4
173.17307	0.6
174.03316	1.0
175.03998	1.9
179.03543	4.1
180.03952	0.6
187.04012	1.1
191.05635	14.7
192.05989	2.4
193.04956	1.1
213.05670	2.0
224.04591	0.7
227.07115	0.7
241.05051	8.7
241.08769	1.0
242.05836	13.5
243.06203	1.6
251.07220	2.1
252.07916	2.0
253.05193	0.9
253.08687	1.1
254.05910	1.3
255.06677	3.2
256.07404	5.3
257.08173	8.5
258.08673	1.4
259.37149	0.6
267.06543	0.9
267.10281	1.4
268.07376	4.3
269.08197	7.2
270.08969	20.5
271.09271	2.3
283.09769	22.0
284.10367	7.2
284.22568	0.7
285.11337	96.0
286.11703	10.4
295.06107	1.2
296.06827	1.6
311.09290	2.5
329.10345	4.9
330.10242	1.1
355.08771	0.8
373.09341	20.4
373.14090	1.1
374.09659	2.4
419.13446	1.5
535.14551	100.0
536.14862	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	535.1974
Annotation	Gomisin G
Peak:m/z	Relative Intensity
61.98842	0.2
71.02299	0.2
71.02637	0.3
85.78780	0.2
89.04002	1.2
93.03481	0.8
93.27641	0.2
95.05070	0.4
105.03467	1.2
106.04274	0.6
107.05052	0.6
108.02190	0.4
109.02959	0.7
111.00927	0.2
117.03487	5.1
119.05064	1.4
121.02988	2.2
123.04553	0.6
125.34653	0.2
132.02200	4.6
132.03163	0.3
133.02988	11.4
134.03769	62.4
135.04581	19.4
136.01700	2.1
136.04832	1.2
137.02472	7.0
137.06059	0.2
138.02820	0.4
139.04031	1.7
145.03003	0.4
146.03772	0.5
147.04572	3.4
148.05359	2.4
149.02499	1.1
149.06116	6.1
150.03229	0.7
150.06438	0.3
150.97690	0.2
151.04047	2.3
153.05637	0.5
159.04581	0.5
159.39743	0.2
160.01694	16.5
160.05302	0.4
161.02475	9.4
161.06099	0.6
162.03192	0.9
163.04021	0.9
164.04738	0.3
165.05588	0.3
167.12292	0.2
172.05353	0.3
173.06114	0.3
175.04033	9.8
175.07703	0.3
176.04489	0.5
177.02002	0.8
177.05617	0.6
178.02745	4.1
179.03531	14.7
180.03902	0.7
181.05109	0.2
187.07663	0.3
188.04832	0.2
189.05588	0.7
190.06325	0.3
191.03528	0.4
192.04279	0.3
193.05083	29.0
194.02484	0.3
194.05414	1.8
203.07159	0.3
207.06639	2.3
208.06870	0.2
252.07945	0.2
267.06647	0.3
270.29300	0.2
274.07431	0.2
310.26822	0.2
325.78830	0.2
326.11673	0.8
327.12357	0.8
341.13940	0.5
519.16766	0.4
520.17462	3.2
521.17609	0.5
535.19708	100.0
536.20062	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	535.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43174	0.3
54.64296	0.3
56.77863	0.4
59.01379	5.7
61.98833	6.0
62.03876	0.4
65.00330	1.0
65.11359	0.4
71.01389	2.5
71.03486	1.3
73.02951	1.7
78.95893	0.5
83.01411	1.1
85.02954	1.5
87.00878	0.9
89.02451	1.8
93.03476	1.6
95.01387	0.6
96.96008	0.9
101.02472	2.5
103.04005	0.8
105.22891	0.4
107.01411	2.0
108.02194	1.2
109.02961	2.0
111.04505	0.7
113.02463	1.0
114.49937	0.4
116.92874	1.8
119.03514	0.8
121.02974	2.1
125.02448	0.8
127.00560	0.4
133.02933	0.7
135.00897	0.9
135.04605	0.9
136.01663	0.9
137.02443	0.7
146.87755	0.4
148.01706	1.4
149.02406	0.7
151.00392	10.6
151.04071	0.8
152.01187	0.6
159.04561	0.5
160.03983	0.4
161.02498	0.5
161.04509	1.0
161.05966	0.4
163.00394	2.1
163.04001	0.7
164.01100	0.8
164.10762	0.4
167.05057	0.5
169.01434	1.2
173.04539	1.8
175.03981	0.4
178.99879	5.3
179.03458	0.6
179.05650	1.0
180.05946	0.6
191.05641	5.6
192.00726	0.6
199.03970	0.7
201.05658	0.8
211.03975	0.9
215.03526	0.5
216.04309	0.7
221.06572	0.4
226.02740	1.2
227.03445	2.4
228.04037	0.5
243.03008	9.0
244.03441	1.2
245.04521	1.1
254.02150	1.7
255.02977	24.5
256.03345	2.5
257.04565	0.6
271.02469	48.4
272.02878	5.1
273.04007	1.3
281.28381	0.5
283.02399	1.4
299.01907	1.4
300.02762	100.0
301.03464	46.0
302.03918	4.0
343.04672	0.6
358.10571	0.6
373.13080	2.9
374.13525	0.4
463.08807	98.2
464.09174	13.5
535.11908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
58.96435	0.3
59.01379	5.0
60.99306	0.7
61.98837	3.8
62.78493	0.3
69.03511	0.4
70.87462	1.1
71.01393	2.3
71.52608	0.3
73.02937	0.4
85.02970	1.3
87.00895	0.8
88.98818	2.8
89.02467	0.9
93.03482	2.6
95.01405	1.0
96.96033	3.0
98.95619	2.0
98.96203	0.3
99.00913	0.4
99.04539	0.9
99.92600	14.8
100.92637	1.0
101.02462	1.6
106.56651	0.4
108.02187	1.7
109.02977	1.0
113.02492	1.0
115.92113	2.6
116.92881	100.0
117.92880	6.7
117.93634	0.6
118.20184	0.3
119.03468	0.3
121.03005	0.5
123.00907	7.3
123.01749	0.7
125.02452	0.8
135.04533	0.5
137.02461	2.6
145.02980	0.8
146.03268	0.5
151.00453	0.8
151.04041	0.8
152.01183	2.7
153.01994	0.6
161.02477	0.5
161.04605	0.8
173.04568	1.0
173.21960	0.4
190.94418	0.5
191.05641	1.4
191.95222	0.9
200.16130	0.3
203.95103	0.4
205.19652	0.4
206.93910	0.6
207.94708	12.4
208.95023	1.1
219.94711	2.0
220.95480	1.0
234.93398	3.7
235.94142	3.7
236.94807	1.0
244.97687	0.5
248.94911	0.6
251.93701	1.0
253.09164	0.3
263.93698	1.1
300.02707	0.4
301.03412	2.1
341.06787	0.5
346.98941	0.6
364.99615	0.5
371.00623	1.1
378.97745	0.6
379.98151	0.7
396.98730	2.1
397.99442	1.5
414.99747	15.7
415.99982	2.6
435.09375	0.8
437.10095	0.8
445.07709	0.7
475.21799	0.6
491.02539	0.9
498.99588	3.5
499.99808	0.8
507.52979	0.3
526.09595	0.5
534.30212	0.5
535.01837	46.1
535.30988	1.8
536.02112	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	535.073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36673	0.8
57.03452	3.9
59.01382	18.4
60.99310	17.4
61.98842	9.3
64.70123	0.8
65.00320	1.9
65.03450	0.8
66.83366	0.9
69.03481	1.0
71.01392	11.8
71.70510	1.2
72.22278	0.8
73.02963	3.6
78.95914	1.1
82.95434	3.2
83.01402	2.8
85.02967	7.5
85.19117	1.0
87.00896	1.1
88.61333	0.8
88.98821	100.0
89.02450	6.5
89.99188	1.0
93.03477	2.5
95.01386	0.9
97.03001	1.1
99.00893	2.2
99.04556	3.5
101.02461	11.0
107.01411	3.1
109.02968	10.2
113.02474	6.9
119.03530	3.5
119.05010	1.1
121.03024	3.5
123.04546	4.0
125.02425	2.1
128.73955	1.0
132.77191	0.9
133.02968	3.2
135.00952	1.1
135.04599	1.9
137.02498	2.1
137.45505	1.1
141.51541	1.0
143.03566	1.1
147.04634	1.0
148.01605	1.2
149.02437	2.5
151.00401	15.7
151.04019	3.0
153.01936	1.0
160.01662	1.5
161.02521	8.2
161.04556	3.7
163.00394	3.6
163.04036	1.0
164.01155	1.4
167.03490	2.2
168.20448	0.9
169.01442	1.2
171.33534	0.9
173.04582	3.9
175.04089	1.3
175.93315	0.9
177.02008	1.1
178.99911	7.0
179.03542	1.6
179.05609	2.3
189.02003	2.7
189.05550	1.1
191.05644	6.9
193.05087	1.1
203.03581	1.3
211.03992	1.1
214.02557	1.1
215.03435	1.8
217.01456	1.4
227.03473	2.4
229.01421	1.6
239.03548	0.9
242.02219	3.2
243.02998	9.6
245.04581	1.9
254.02098	1.1
255.02991	16.0
256.03583	1.3
269.00836	3.1
270.01587	1.0
271.02472	32.3
272.02847	3.9
273.03952	3.1
274.01230	4.9
283.02438	1.3
284.03223	1.8
285.03964	1.5
300.02774	59.2
301.03528	75.7
302.03900	5.8
341.06741	10.5
341.10724	1.7
373.03293	1.0
373.22278	4.0
393.06152	20.9
394.06387	3.7
425.08786	2.1
431.26593	1.6
444.43994	1.0
445.07785	94.7
446.08118	15.1
451.10126	1.1
451.16214	1.0
458.29501	1.1
503.09885	8.5
504.09720	1.2
534.30243	1.5
535.18500	4.2
535.27698	7.5
536.19543	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	534.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.7
71.69525	0.3
77.43069	0.3
78.95899	0.4
84.04048	0.7
84.04559	14.4
85.04886	0.5
90.11446	0.3
98.08210	0.3
99.87598	0.3
129.17020	0.3
153.12892	2.1
179.14432	100.0
179.39537	0.3
180.14790	8.4
195.13904	1.5
196.89461	1.1
197.15480	11.2
197.75304	0.4
198.15813	1.2
223.13399	5.0
223.16911	0.3
250.14478	22.8
251.12582	0.7
251.15015	1.8
258.14853	0.3
264.19659	1.1
292.19171	0.9
336.18170	51.2
337.18549	5.3
362.84088	0.3
409.91525	0.3
412.28543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41672	0.9
57.03446	1.6
59.01381	5.0
61.98829	5.1
66.03497	2.1
67.01893	1.3
68.20143	0.8
69.03462	10.4
70.03024	1.2
71.01393	4.2
71.69684	1.2
72.00941	1.1
72.87299	0.9
72.99307	4.2
74.41571	0.8
75.00883	33.2
78.95918	1.4
81.03456	1.2
82.02990	2.5
83.04994	0.9
85.02956	1.6
87.00895	2.1
89.02468	5.8
93.03479	14.5
95.05019	1.4
97.02934	1.0
98.02502	10.8
99.00903	3.4
101.02444	1.2
102.41914	1.0
107.05067	1.6
108.02158	0.9
109.01696	1.1
109.02939	1.9
110.02491	1.3
112.04043	1.9
117.01969	1.6
117.03504	4.0
119.05052	32.3
120.04553	0.9
120.05375	1.9
121.02969	1.5
123.00904	1.5
123.03303	0.9
124.00422	1.2
131.03825	1.9
132.04549	2.8
132.05817	1.1
133.03015	1.8
133.05376	3.9
134.03876	0.7
134.06151	15.5
135.03027	68.7
135.04590	2.2
136.03352	1.7
137.02448	1.5
138.01988	0.8
142.99879	1.4
144.04520	1.7
145.02968	6.9
146.02483	0.9
146.06192	3.9
153.12886	4.2
158.06099	4.2
159.03244	1.0
159.06898	0.9
160.04073	35.4
162.05580	2.0
163.04039	9.9
169.15987	1.8
171.01797	1.7
171.13968	4.2
172.07698	1.3
173.04562	2.9
177.05643	1.4
179.14468	2.0
180.01283	0.9
181.16045	5.0
182.06093	0.8
190.05116	16.2
190.08850	1.2
191.05560	4.3
192.06714	1.2
193.16035	5.1
195.13895	3.5
195.17578	3.6
196.17076	2.3
197.15498	1.4
200.07193	5.2
202.05078	2.5
206.04559	3.9
208.16885	0.9
210.18616	1.0
218.08238	28.4
219.08560	1.7
220.17068	8.7
221.15514	2.4
222.15717	2.6
222.18752	1.0
224.16594	3.8
232.17091	0.8
234.15027	1.9
235.15776	2.8
236.16568	3.9
237.15015	2.2
248.16547	6.1
251.16736	1.2
252.16103	8.1
257.06934	2.0
258.07657	3.0
264.16037	9.5
265.14484	1.0
266.17688	1.1
276.15845	1.0
278.17764	0.8
280.15576	20.8
281.15945	2.4
294.14252	1.3
306.17087	3.6
312.19885	1.2
326.21216	3.3
328.22842	28.2
329.23114	3.1
342.20831	1.3
354.20764	78.0
355.21106	12.5
360.21829	3.4
366.19354	2.5
368.22202	1.4
370.20120	6.6
372.21838	100.0
373.22186	14.3
386.23529	1.5
400.21298	9.2
401.21652	1.5
412.21295	3.5
414.19290	2.2
416.20825	47.0
417.21063	7.1
444.20404	2.4
472.23322	5.6
473.23334	1.0
535.19849	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.9
58.00605	0.7
59.01382	100.0
60.01717	1.0
61.98835	4.3
69.03487	0.4
69.69267	1.3
69.69688	0.9
71.01392	10.7
72.99319	0.4
73.02954	83.1
74.03294	1.3
82.95428	0.3
83.01396	1.8
83.43998	0.3
85.02961	21.2
86.03326	0.7
87.00885	0.9
87.04518	0.3
89.02457	7.4
93.03476	1.2
95.01391	1.0
97.02967	0.8
98.19872	0.4
99.00890	1.1
99.04540	5.3
101.02465	9.8
103.04025	5.4
109.02966	1.2
111.04529	0.6
113.02467	6.0
114.93409	0.5
115.00369	0.3
115.03999	0.3
119.03513	3.1
123.08167	1.1
125.02476	2.4
131.03491	0.7
135.04549	2.4
136.04048	0.4
136.86111	0.3
137.02415	0.9
143.03523	1.8
145.02963	0.4
149.06119	0.4
151.00320	0.3
152.01099	0.3
155.03532	0.3
159.02997	0.5
161.02414	0.7
161.04572	6.7
162.02811	0.3
163.11255	0.8
173.04602	2.7
179.03465	0.9
179.05640	4.1
189.12860	1.6
191.05644	3.1
207.13940	1.9
221.06540	0.3
225.14810	1.1
263.07495	0.6
369.99817	0.3
371.20682	2.0
387.20142	1.7
389.21457	1.1
431.18619	0.3
443.22931	7.3
444.22641	1.3
494.68207	0.3
525.98499	0.3
533.12836	0.5
533.25909	6.1
534.06171	0.5
534.26019	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	533.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41612	0.2
59.01380	1.2
67.01922	0.3
69.83619	1.3
71.01396	0.9
73.02943	0.4
82.33730	0.2
85.02965	6.7
86.03325	0.3
87.00900	1.5
93.03464	2.1
95.31442	0.2
109.02986	0.6
111.04539	0.8
127.04050	1.7
146.96210	0.2
171.02951	0.7
173.04561	1.0
191.05637	100.0
192.05994	4.8
353.43408	0.3
364.98608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04875	0.2
57.03442	0.6
59.01380	1.2
67.01894	0.6
69.03483	0.2
71.01385	1.0
71.70137	0.2
73.02938	0.5
74.21178	0.2
81.03455	0.3
83.05043	0.3
85.02960	8.2
87.00882	2.7
88.98804	0.4
93.03474	3.5
99.00866	0.2
99.04562	0.4
108.02198	0.3
109.02972	1.5
111.04534	1.1
117.01936	0.6
123.00849	0.2
127.04029	2.0
129.01939	0.5
135.04570	1.6
137.02446	0.5
149.06107	0.5
155.03485	0.2
161.06125	0.3
171.03001	0.7
173.04593	2.8
179.03499	1.1
191.05634	100.0
192.05983	4.1
218.15572	0.2
218.88467	0.2
242.05888	0.7
243.06699	0.3
245.28250	0.2
271.09827	0.8
299.05557	0.5
359.07669	1.3
533.12933	1.6
534.13257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17322	0.1
55.01880	1.0
55.38000	0.1
57.03441	0.5
59.01384	2.8
59.82994	0.1
61.98847	0.3
65.03973	0.2
67.01900	1.9
68.99837	0.3
69.03101	0.2
69.03462	3.6
70.28799	0.3
70.29211	0.5
71.01388	1.3
71.04996	0.2
72.99317	0.3
75.00871	0.4
80.02686	0.2
81.03476	0.3
83.01394	2.9
83.05033	0.3
85.02961	1.4
87.00880	0.3
89.02461	1.5
91.01955	0.2
93.03457	0.8
94.07658	0.2
95.01398	1.0
95.05067	0.3
97.02980	0.5
98.19892	0.2
99.00896	0.6
101.02460	1.0
106.04225	0.3
108.02189	1.4
109.02976	0.4
110.00156	0.3
110.03721	0.2
111.00907	5.3
112.98839	1.1
113.02470	1.3
115.00395	0.6
119.03466	0.3
121.03004	0.3
121.99355	0.1
122.03743	0.6
123.00908	0.4
124.01688	2.0
125.02482	1.0
130.04530	0.2
131.63904	0.1
135.02927	0.2
136.01704	0.4
137.02444	0.2
139.00391	1.5
139.93584	0.2
150.03212	0.3
151.11240	0.2
152.01176	2.1
153.01932	0.7
153.12851	1.1
154.99898	0.4
155.14433	0.5
173.04590	0.5
175.14931	0.6
179.05588	0.2
179.14444	2.2
180.00648	0.5
180.14673	0.2
181.01364	0.6
181.15997	11.5
182.16310	1.0
191.05612	0.6
191.14453	0.7
193.15996	2.6
194.16241	0.3
195.13872	0.3
195.17590	0.2
197.15483	0.5
203.14445	0.3
205.15933	1.1
207.13936	0.3
209.15474	4.3
210.15880	0.4
210.40784	0.2
219.13820	0.3
221.06546	0.2
221.15471	5.8
222.15877	0.5
225.15056	0.3
235.13396	3.5
235.16982	0.2
236.14093	0.5
237.14966	8.7
238.15364	0.7
239.16304	0.3
239.99319	0.2
247.13405	0.5
249.12387	0.2
249.14946	3.8
250.15320	0.4
253.14395	1.0
263.13257	0.2
263.16479	0.3
264.13907	0.2
265.14444	16.0
266.14734	1.4
267.15979	1.5
279.16168	0.8
281.14133	0.2
291.16068	0.3
293.13947	100.0
294.14282	9.8
297.08255	2.2
307.15561	1.7
335.06174	0.7
335.14987	3.8
336.15433	0.5
337.07758	0.4
361.07819	0.2
487.21909	1.4
488.21896	0.3
515.21356	6.0
516.21594	1.2
518.22375	0.2
533.22192	0.8
533.34088	0.2
534.22424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	90.3
58.03789	1.5
59.01383	92.6
60.01727	1.2
61.98838	0.6
63.52460	0.4
69.70039	1.8
69.70464	1.8
71.01392	15.1
73.02946	3.4
73.35365	0.4
81.03485	1.7
83.01411	2.2
83.05029	0.7
85.02962	6.4
86.03297	0.5
87.00877	0.9
88.98827	0.7
89.02473	4.3
93.03471	3.1
95.01411	1.2
99.00909	1.4
99.04536	100.0
100.04895	2.7
101.02462	27.7
109.02950	2.8
113.02451	4.5
119.03519	2.0
123.08197	7.8
125.02470	39.8
126.02792	1.0
127.04014	0.6
133.02975	0.8
135.04533	1.4
137.02518	0.6
137.09737	2.0
143.03529	5.0
147.04532	1.7
149.02451	1.5
149.04483	0.6
153.09264	0.6
159.03192	0.6
159.04515	2.1
161.02437	1.0
161.04567	4.9
163.10194	0.6
163.11328	5.9
173.04596	5.8
173.09758	0.5
174.04947	0.8
177.01961	0.6
179.03479	0.9
179.05583	1.9
189.12866	11.7
190.13171	0.9
191.03957	0.9
191.05649	17.8
192.05984	0.8
203.05536	0.6
204.10258	0.5
207.13922	12.8
208.14156	1.0
225.14914	2.5
229.01376	0.9
249.05534	0.6
251.07146	0.5
267.06540	1.6
269.08127	2.4
295.06070	3.5
313.07101	1.9
339.05121	11.6
340.05344	2.5
387.20276	8.4
388.20453	0.9
429.21271	8.9
430.21359	1.0
431.19186	0.9
469.24112	1.6
487.12201	1.1
512.65320	0.5
531.11884	3.0
531.24438	14.6
532.11072	0.8
532.24597	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07684	0.4
57.03455	2.8
59.01375	6.4
60.99314	0.8
61.98844	0.5
67.01894	1.5
69.03442	0.6
71.01392	4.3
71.69814	0.8
73.02958	0.8
73.55470	0.5
81.03458	0.7
83.01370	0.7
83.05023	0.9
85.02960	9.7
87.00888	3.5
88.98825	1.3
89.02472	2.1
93.03477	10.7
93.78384	0.5
94.39856	0.5
95.01395	0.5
96.96024	1.6
99.04507	2.4
101.02454	2.4
102.35336	0.4
102.98638	1.5
107.05057	1.3
108.02209	0.9
109.02977	4.2
111.00883	0.5
111.04549	3.9
113.02458	1.3
117.03495	2.1
119.03510	1.8
121.02971	1.6
121.36273	0.4
123.04546	2.3
125.02486	1.0
127.04082	2.5
133.02975	2.3
134.03781	3.9
135.04549	71.9
136.04884	4.0
137.02480	4.7
144.31851	0.5
147.04544	1.7
149.02536	0.5
149.06099	1.8
149.99126	0.5
151.03990	0.6
155.03514	3.4
160.04044	1.2
161.02473	6.6
161.04480	2.7
167.03447	0.9
173.04575	16.9
174.04906	1.0
175.04028	1.3
177.01961	2.0
178.02679	0.6
179.03522	51.4
180.03873	2.9
187.04042	0.9
189.01958	2.5
190.02658	0.8
191.05637	100.0
192.05992	6.2
193.06119	0.5
195.06685	0.6
197.04471	0.6
205.01434	2.2
216.00687	0.6
217.01459	1.2
219.03044	2.0
233.06807	0.5
263.07690	1.1
267.06586	0.5
269.08139	1.3
271.09790	2.2
281.04681	0.6
295.06030	1.3
296.06299	0.6
297.07465	1.1
315.08807	4.3
316.09265	0.8
323.09802	1.6
335.07941	0.6
339.05130	1.1
340.05743	0.7
341.06644	12.0
342.06955	1.6
353.08820	26.0
354.09348	2.5
355.08606	0.7
359.07745	5.6
360.08392	0.6
371.09875	5.1
372.10129	0.8
373.09238	0.6
384.42642	0.5
424.09619	0.8
424.60068	0.7
445.59238	0.5
489.13605	0.8
509.14627	0.5
515.11853	0.7
533.12939	31.5
533.62128	0.6
534.13269	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	531.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78121	0.2
57.03450	0.8
59.01388	1.7
60.99309	0.5
61.98843	0.5
62.01444	0.3
64.40656	0.2
65.03974	0.2
67.01897	4.1
69.03448	1.2
69.27808	0.2
71.01389	2.7
71.39996	0.4
73.02972	0.3
78.90266	0.2
81.03470	0.8
83.05042	0.8
85.02966	5.3
87.00909	1.3
93.03472	24.6
94.03790	1.0
95.01368	0.2
99.00886	0.4
99.04562	0.5
109.02946	0.9
111.00954	1.0
111.04540	5.2
124.98949	0.2
127.04048	1.4
137.02473	4.4
138.02730	0.2
146.03775	0.3
155.03529	5.3
156.03868	0.2
157.75723	0.2
158.03719	0.5
159.04523	1.2
163.12593	0.2
171.03168	0.3
171.04439	0.9
172.05374	1.8
173.04575	100.0
174.03268	0.6
174.04892	4.3
175.03996	0.5
182.03764	0.6
183.04526	4.4
184.05046	0.3
185.06128	2.0
186.06744	0.4
191.05637	23.0
192.05995	1.1
195.04529	5.5
196.05324	10.4
197.05746	0.9
199.03986	0.5
199.07564	0.2
200.04765	0.7
203.03505	0.4
209.06145	0.3
210.06812	0.4
217.03569	0.2
218.57851	0.2
267.13971	0.3
285.18646	2.4
286.19061	0.3
295.17050	33.8
296.17380	4.3
303.19785	0.3
313.18097	10.4
314.18539	1.3
320.21204	0.2
329.17706	0.9
330.18027	0.2
339.16028	10.0
340.16318	1.5
347.18625	0.3
357.17087	9.4
358.17508	1.4
503.22498	0.3
513.21533	1.0
514.21643	0.3
528.54535	0.2
531.21985	1.6
532.22717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.5
57.77286	0.2
58.00579	0.2
60.99313	3.1
61.98819	0.4
65.03968	0.4
67.01895	9.3
68.02246	0.3
69.03467	2.4
70.06476	0.2
70.22102	0.9
71.01386	4.0
72.99322	0.4
78.95911	1.1
80.56195	0.2
81.03468	1.8
83.05046	1.5
85.02956	0.9
87.00888	9.1
93.03474	66.0
94.03811	2.5
94.50477	0.2
98.20426	0.5
99.00880	1.1
99.04532	0.8
108.02206	0.2
109.02956	1.2
109.98085	0.2
111.00927	0.5
111.04542	10.1
112.04866	0.5
113.02492	0.6
114.78249	0.2
115.04021	0.8
126.90446	0.4
127.04083	0.3
129.01967	1.0
131.05043	0.5
133.02948	0.3
137.02452	3.2
143.03487	0.4
143.05046	0.6
149.06076	0.4
152.99634	0.3
155.03535	5.0
156.03937	0.3
157.06558	0.3
158.03818	1.0
158.07339	0.2
159.04536	1.8
169.15976	0.2
171.04524	0.8
171.08238	0.3
172.05325	5.9
173.04575	100.0
174.04903	4.6
175.03983	1.1
185.06012	0.2
186.06851	0.3
191.05617	2.3
200.04837	2.4
203.03564	0.3
216.04169	0.4
244.03915	0.4
257.19144	0.7
269.19006	0.3
277.21707	0.4
285.18716	1.2
303.19669	0.2
313.18100	13.6
314.18466	1.7
339.16223	0.3
343.15506	0.3
348.02234	0.2
354.50031	0.2
357.17084	17.7
358.17093	1.7
358.31158	0.6
377.08640	0.4
503.22897	0.2
531.22290	29.5
532.22589	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56073	0.2
50.56317	0.2
54.11693	0.2
57.03434	0.3
59.01371	0.3
61.98838	0.3
64.59764	0.2
67.01893	0.3
69.50107	0.2
71.01395	0.5
71.43340	0.5
81.03468	0.7
83.05019	1.4
87.00887	0.5
91.14038	0.2
93.03479	5.3
109.02958	0.5
111.04533	5.2
111.37019	0.2
119.05047	0.3
121.06623	0.7
126.90453	1.2
127.03989	0.3
129.01938	0.6
130.04237	0.5
131.05038	1.9
133.02948	0.6
135.04512	0.3
137.02449	1.3
141.07137	0.3
143.05020	1.8
144.05579	0.3
147.41528	0.3
149.06032	0.7
155.03513	5.3
156.03867	0.3
156.05798	1.3
157.06567	1.1
158.03745	4.9
158.07364	1.0
159.04550	4.5
160.04984	0.4
171.04550	3.3
171.08199	1.6
172.05316	29.3
173.04515	12.1
173.05759	1.4
174.04863	0.7
177.05382	0.3
185.06096	0.7
186.06853	1.0
186.10527	0.4
191.05658	1.6
195.04529	0.3
196.05278	0.3
200.04802	13.9
201.05222	1.1
229.19624	0.4
257.19070	3.1
258.19455	0.4
269.19022	0.6
285.18616	5.1
286.15543	0.2
286.18887	0.7
295.16959	1.0
303.19739	0.6
308.27393	0.2
313.18088	87.4
314.18442	10.6
314.21332	0.1
315.16043	0.3
339.16068	0.4
347.18729	0.4
357.17081	100.0
358.17386	12.3
375.18143	0.4
377.08795	0.4
503.22733	0.9
531.22339	23.1
532.22656	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	531.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76762	0.2
57.50594	0.2
59.01383	0.8
65.03970	0.5
68.99842	0.3
70.84899	0.5
70.85233	0.2
71.01392	0.3
72.47086	0.2
73.02949	1.3
81.03471	1.0
81.79457	0.2
83.05048	2.0
85.02971	0.5
93.03474	14.1
94.03822	0.5
95.01396	0.2
96.02173	0.2
99.00893	0.4
99.04509	0.3
99.76979	0.2
103.23864	0.2
105.03443	0.2
107.05046	0.4
108.02214	0.3
109.02975	4.6
111.00842	0.3
111.04539	3.0
117.03502	0.2
119.05111	0.3
121.02979	0.3
123.04554	0.2
129.02037	0.2
129.03572	0.2
130.04262	0.6
131.05067	2.6
132.02231	0.2
133.02991	1.3
134.03763	2.6
135.04565	1.3
137.02469	6.2
137.03510	0.4
138.02805	0.5
141.03497	0.2
145.02986	0.5
146.03755	1.9
147.04533	3.2
148.05263	0.3
149.02492	0.3
149.06145	1.8
153.01968	3.6
155.03546	1.9
157.03003	0.6
158.03729	5.1
159.04544	31.9
160.01698	0.4
160.04907	1.9
160.25160	0.2
161.02470	21.5
161.06125	0.8
162.03250	5.1
163.03868	0.6
171.13936	6.5
172.05347	3.4
172.14291	0.4
173.02443	1.7
173.04570	1.7
173.06039	1.3
174.03250	9.5
175.04031	11.7
176.04813	20.8
177.05588	13.3
178.05923	1.0
185.02481	0.6
185.06064	1.5
186.03255	0.6
186.06917	1.3
187.04060	1.0
188.01151	0.3
188.04794	1.2
189.01987	1.7
191.03580	0.4
195.13953	0.4
196.05388	0.2
198.03160	1.1
199.02402	0.5
199.04021	2.8
199.07697	0.4
200.04785	1.7
201.01985	0.3
201.05510	1.2
202.02748	4.3
203.03523	19.2
204.04073	1.9
209.06157	0.4
212.04814	0.2
213.05605	2.9
214.06270	1.0
215.03604	0.2
216.04332	0.4
221.04521	1.5
227.07213	0.4
230.02405	0.2
232.84334	0.2
241.08823	0.5
255.10280	0.3
257.04477	0.2
269.11957	0.3
269.19125	0.5
271.17163	0.3
275.20117	0.2
283.16858	0.2
285.18600	6.7
286.18997	0.7
287.16568	2.3
288.17178	0.5
289.18246	0.5
295.17084	2.2
296.17529	0.2
298.15915	0.3
301.18094	0.6
303.19601	1.5
304.20032	0.2
311.16489	1.0
312.17203	0.5
313.18097	100.0
314.18457	14.1
315.16006	8.4
315.19650	2.1
316.16461	1.4
316.19843	0.5
329.17599	5.2
330.17923	0.9
331.19159	15.1
332.19519	2.1
336.80957	0.2
339.16016	1.4
341.17471	0.3
357.17090	64.6
358.17429	9.6
359.07739	20.2
359.18542	0.4
360.08151	2.3
375.18170	8.9
376.18539	1.2
377.08371	0.2
402.47195	0.2
407.22348	0.3
425.23260	0.2
456.25604	0.2
469.22180	0.5
485.21799	0.3
509.66101	0.2
513.21295	55.5
514.21667	11.0
514.29504	0.4
531.22363	6.2
532.22662	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	531.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.4
65.46638	1.0
65.47356	1.0
71.01385	1.6
71.19961	3.0
73.02959	1.8
81.03475	2.0
83.05031	6.2
85.02966	10.9
87.00879	4.0
93.03470	39.3
94.03882	1.3
99.00888	1.1
99.04494	1.4
109.02986	1.3
111.04532	11.2
115.05575	1.7
121.06591	1.5
127.04037	2.4
127.63862	0.9
129.01833	1.0
131.05060	2.0
134.03781	6.3
135.04503	1.9
137.02463	13.8
143.03479	1.0
147.04538	4.6
148.05263	1.1
149.06094	19.2
155.03500	9.8
155.91695	1.0
158.03741	8.7
159.04541	84.9
160.04938	5.2
161.02452	9.1
162.03247	2.5
171.13954	1.2
172.05312	11.8
173.04576	5.3
173.06094	7.7
173.07463	1.3
174.03275	5.3
175.04019	56.6
176.04626	5.9
177.05594	23.9
178.05911	2.1
185.06145	3.8
185.18553	1.1
186.06915	1.3
191.05632	66.1
192.06017	2.8
203.03506	100.0
204.03839	6.3
213.05504	1.1
221.04610	1.3
261.61734	1.1
283.16864	1.2
285.18610	74.6
286.18942	9.2
287.16513	6.7
288.17224	2.1
295.17105	1.8
303.19672	46.1
304.19949	6.7
313.18069	30.2
314.18341	4.8
329.17584	15.7
330.17902	2.2
331.08154	3.2
331.19009	1.7
339.15930	1.2
347.18668	3.7
347.64371	1.1
357.17075	73.9
358.17303	8.4
359.07724	55.8
360.08142	7.1
377.08786	16.3
378.09146	1.7
440.79871	1.2
460.69724	1.2
467.32516	1.1
485.21631	4.5
503.22852	74.6
504.23303	13.7
513.21100	7.0
531.22308	57.1
532.22729	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	531.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99508	0.8
59.01371	0.7
65.03968	1.0
71.19753	1.3
71.20090	1.1
73.02949	2.8
73.98008	0.6
75.00880	2.2
77.64465	0.7
79.58549	0.6
81.03456	1.3
83.05025	4.0
93.03472	26.6
94.03777	1.1
95.01380	0.9
99.00919	1.1
99.04576	0.8
104.11158	0.7
107.04987	1.1
111.04530	8.6
129.03552	0.8
131.05011	0.8
134.03722	4.3
135.02986	1.7
135.04558	1.8
137.02458	13.8
147.04535	4.1
148.05357	1.1
149.06107	20.2
149.10159	0.7
150.06496	0.8
155.03540	7.8
157.02985	1.5
158.03726	8.9
159.04541	82.0
160.01642	0.9
160.04889	6.3
161.02452	3.1
162.03226	3.2
172.05339	10.4
173.04601	2.4
173.06076	11.3
174.03247	4.8
175.04028	57.0
176.04683	5.4
177.05597	22.9
178.05969	1.3
185.06189	3.8
186.06903	2.1
203.03517	100.0
204.03867	7.3
221.04607	1.8
280.15457	0.8
283.17096	1.2
285.18607	78.4
286.18961	9.2
287.16467	5.3
287.98383	0.8
288.17148	1.4
303.19666	51.9
304.19958	6.0
313.18103	9.1
314.18567	1.3
322.30161	0.9
323.14374	0.8
329.17572	16.2
330.17960	2.1
331.19177	1.8
332.35519	0.9
347.18692	3.1
357.17023	10.9
358.17422	1.9
359.07739	55.0
360.08109	5.9
377.08807	15.8
378.08984	1.7
380.17096	1.5
389.98254	0.9
399.24503	0.9
485.21976	5.1
503.22852	73.5
504.23227	13.9
513.21143	6.1
514.21521	1.0
531.22314	13.2
532.22943	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	26.5
59.01384	31.7
60.17848	0.6
61.98827	2.8
67.01903	1.4
69.46664	1.8
69.47071	5.5
70.58530	0.7
71.01387	10.3
73.02961	6.6
76.96504	0.6
81.03465	1.6
83.01401	1.5
83.05021	1.3
85.02965	11.6
87.00872	1.7
88.98830	2.5
89.02435	3.1
93.03473	9.3
94.03821	0.7
95.01420	0.9
96.96033	2.3
99.00878	1.5
99.03887	1.4
99.04537	29.5
99.92578	0.7
101.02462	11.2
102.98577	0.7
108.02237	0.9
109.02974	17.6
111.00904	0.6
111.04530	2.1
113.02459	4.3
116.92904	3.6
117.92886	2.5
118.92699	1.5
119.03532	1.8
119.05050	1.3
121.02976	2.2
123.04563	1.3
125.02467	14.0
127.04029	1.3
129.01942	0.9
129.03519	1.2
131.03549	0.9
131.05070	0.7
133.02979	2.6
135.04546	4.6
137.02475	3.2
137.09746	0.7
143.03508	1.4
145.02979	5.9
146.03699	2.5
147.04555	17.9
149.02441	1.0
149.04552	0.8
151.04050	1.1
153.01863	0.7
155.03456	1.0
157.02945	4.4
159.04532	11.3
160.04839	0.7
161.02464	2.1
161.04562	5.7
163.04126	0.7
163.11299	0.9
164.75896	0.7
173.02466	2.7
173.04588	15.7
174.03334	1.0
174.04916	1.9
175.02708	0.8
175.04062	2.8
177.01917	1.4
179.03535	2.3
185.02454	2.9
186.03198	0.7
189.12894	2.3
191.05635	60.1
192.06017	3.0
201.01878	1.3
203.03503	2.0
203.05605	2.4
207.13850	4.7
211.07655	0.8
220.05249	0.8
221.06161	1.3
224.04750	0.9
225.05510	1.2
225.15001	5.0
229.01430	29.8
230.01765	2.2
238.06447	0.8
239.07140	2.9
248.04716	1.6
249.05600	5.8
250.06287	3.8
251.07123	0.9
253.05087	1.5
265.05054	1.6
266.05750	1.2
267.06625	15.0
268.07025	2.1
268.31644	0.8
269.08185	10.1
270.08517	1.2
277.05087	10.3
277.49350	0.6
278.05649	2.6
293.04575	4.7
294.05374	2.4
295.06134	22.5
296.06512	2.3
313.07169	9.2
321.61279	0.7
339.05121	100.0
340.01654	1.4
340.05444	13.5
352.07745	0.8
353.08881	1.8
357.06189	1.8
387.20239	2.3
429.21362	2.5
468.16187	1.5
487.12344	3.6
487.25192	0.7
531.11353	16.9
531.23987	5.3
532.11487	3.1
532.24976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1144
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
57.03458	3.1
59.01355	2.8
67.01880	0.6
69.03461	0.4
71.01382	1.3
73.02940	0.8
81.03458	0.5
83.01385	0.4
85.02959	8.6
87.00903	1.7
88.98822	1.1
89.02490	0.5
93.03467	4.2
98.20641	1.0
99.04536	3.1
101.02463	1.4
108.02209	1.3
109.02977	14.2
111.00903	0.4
111.04555	0.9
113.02436	0.5
117.03485	0.5
119.05026	0.5
121.02947	2.0
125.02470	1.3
127.04015	2.1
129.03532	0.6
130.10091	0.3
131.05038	0.6
133.02943	0.5
135.04559	0.7
137.02464	1.5
143.03508	0.4
145.02980	4.9
146.03766	0.8
147.04546	5.4
157.02972	4.6
158.03699	0.8
159.04538	9.6
160.04996	0.5
161.02483	0.8
161.04597	0.5
163.03981	1.0
171.02982	0.5
173.02458	1.6
173.04576	3.0
174.03232	0.7
175.04010	3.3
179.03516	0.6
185.02461	4.0
187.03981	0.6
191.05634	57.8
192.05962	3.0
193.06572	0.8
196.05348	0.6
197.06116	0.5
201.01910	1.2
203.03471	0.5
209.06158	0.5
211.07608	1.2
213.02126	0.5
221.06129	2.2
223.07660	0.5
224.04678	0.5
225.05490	1.1
229.01427	33.9
229.63608	0.7
230.01813	3.1
237.05672	0.5
238.06293	0.9
239.07121	2.6
248.04761	1.3
249.05540	6.2
250.06310	2.1
251.06929	0.8
253.05032	1.4
265.05035	1.7
266.05835	2.6
267.06613	16.4
268.06940	2.4
269.08258	2.6
276.04285	1.0
277.02133	0.7
277.05078	11.6
278.05630	2.8
280.03790	0.9
293.04520	4.8
294.05231	2.9
295.06125	23.8
296.06415	2.9
313.07230	0.8
321.04016	0.4
339.05121	100.0
340.05457	13.0
357.06036	0.5
377.08859	0.5
487.12350	2.1
518.39368	0.4
531.11432	19.7
531.24341	0.8
532.11755	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	529.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03451	75.9
58.00570	1.2
58.03785	2.0
59.01381	81.2
61.98831	8.9
69.58492	6.8
71.01392	32.1
72.01725	0.9
72.99289	2.0
73.02956	13.2
75.00893	2.6
78.95915	1.8
81.03476	3.2
83.01404	5.5
84.29958	0.9
85.02960	10.1
86.61083	1.0
87.00896	2.5
88.50114	0.8
89.02453	15.8
93.03489	4.1
95.01400	1.9
97.02972	2.7
97.06613	1.0
99.00908	1.4
99.04536	100.0
100.04881	3.2
101.02459	40.3
107.01391	1.1
108.02209	1.5
109.02976	3.1
111.04556	2.2
113.02471	13.7
113.06126	1.7
115.00354	1.0
119.03525	6.1
123.04571	2.6
123.08150	1.3
125.02469	49.9
126.02764	1.9
131.03535	1.8
135.04553	1.5
137.02425	1.7
137.06067	1.0
138.06909	5.9
139.07684	2.2
143.03519	5.8
147.17126	0.9
149.04555	1.9
151.00446	1.6
151.07669	6.2
152.04832	1.0
152.08456	10.2
153.09248	35.7
154.09534	1.5
155.03537	1.3
161.02527	1.3
161.04579	13.1
163.11266	1.4
165.05620	1.2
165.09053	1.0
173.04567	9.1
177.01926	1.1
178.99934	0.8
179.05635	4.8
179.10817	1.8
187.11363	1.3
191.05656	9.5
192.06078	1.0
205.10478	2.0
205.12337	21.6
206.12775	1.6
221.06630	1.4
223.13388	8.9
226.98608	0.8
236.60493	0.8
244.03297	1.0
256.03326	2.7
257.03583	1.4
258.03967	1.6
263.07776	1.6
267.06689	1.4
271.02487	2.6
272.02820	5.5
273.03009	4.6
274.03326	3.3
300.02725	3.7
301.03198	14.4
302.03421	11.5
303.03644	13.1
304.04303	3.6
311.05768	1.4
323.09842	2.4
349.04279	1.2
360.14774	1.2
367.17676	29.2
368.17966	4.7
385.18701	28.0
386.19098	2.6
413.14386	2.4
427.19717	12.3
428.19919	1.8
464.09387	5.3
465.09094	1.8
466.09644	32.1
467.09909	2.7
467.16351	1.1
467.22861	3.9
485.23737	5.4
529.22931	28.3
530.15625	1.3
530.23010	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	529.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03453	78.6
58.00599	1.9
58.03794	1.2
59.01383	90.6
60.67603	0.7
61.93825	0.7
61.98838	7.9
67.08707	0.7
69.03492	1.2
69.55800	0.7
71.01390	36.0
71.05048	0.9
71.69634	0.7
71.70033	0.9
72.99330	1.9
73.02956	18.4
75.00907	0.7
78.95917	4.0
79.05544	1.4
80.91688	1.9
81.03471	2.9
83.01403	9.6
83.05029	0.8
85.02959	8.0
87.00896	2.8
89.02460	23.4
93.03481	3.3
95.01405	2.2
97.02980	1.5
97.06596	1.0
99.00921	1.8
99.04536	100.0
100.04874	3.7
101.02458	49.3
102.02795	1.6
102.87382	0.8
106.03365	0.8
109.02957	2.4
109.06612	1.0
111.00954	0.8
113.02466	21.5
113.06109	1.9
115.20029	0.7
116.92888	0.9
119.03524	10.5
123.04527	7.2
125.02466	49.1
126.02797	2.2
131.03555	4.1
133.02919	1.4
135.04559	4.5
135.08141	1.3
137.02460	2.3
141.05630	1.4
143.03551	8.0
145.02950	1.4
149.04593	4.1
151.00450	1.6
152.99577	2.5
153.05589	1.6
153.09239	12.3
154.09686	0.8
155.03481	1.2
159.03137	0.6
159.04483	1.1
161.02510	1.4
161.04584	26.9
165.09203	2.0
173.04617	4.6
173.05954	1.2
175.57953	0.7
177.01962	1.2
179.03525	3.1
179.05632	12.8
187.04050	0.9
191.05710	5.1
203.05533	1.5
205.12341	6.0
221.06567	2.5
223.13399	4.0
233.06552	1.5
255.02992	1.6
263.05316	1.2
263.07785	5.9
263.52444	0.8
267.06671	1.3
271.02420	2.0
298.63287	0.8
300.02783	3.8
301.03320	3.2
301.20258	2.7
323.09821	9.6
324.10187	0.9
335.07645	2.2
349.17960	0.8
367.17596	4.0
372.11224	0.8
373.11926	1.3
385.18811	4.7
419.10184	0.8
427.19574	2.9
428.20358	0.7
447.09396	5.3
448.09204	1.1
485.23538	1.8
529.15338	2.2
529.23322	17.4
530.23279	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	529.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01380	6.4
71.01387	9.5
72.99302	1.3
73.02943	1.1
75.59789	0.4
78.95920	0.9
81.58737	0.4
83.01407	0.7
85.02956	7.2
86.03321	0.4
87.00887	18.1
88.98821	1.3
89.02469	0.5
93.03456	3.0
96.96955	0.7
99.00877	1.2
99.04566	0.6
100.03987	0.4
108.02125	0.5
109.02956	2.4
111.00886	1.5
111.04533	1.3
112.98796	0.7
113.02465	0.7
115.00391	27.0
116.00703	1.0
117.01951	1.7
119.05070	0.5
127.00402	0.5
127.04039	1.5
129.01978	0.5
133.02977	1.0
134.03760	1.9
135.04546	27.7
136.04880	1.7
143.03487	0.8
143.05060	0.8
147.04640	0.4
149.02461	1.6
149.06107	0.6
155.03513	1.3
157.01447	0.7
161.02458	3.2
161.04688	0.6
161.06107	1.8
162.02840	0.4
163.03995	1.0
167.37811	0.4
171.03107	0.7
171.04532	1.0
173.02380	0.6
173.04558	3.2
175.02509	51.9
176.02867	2.4
177.01978	1.5
179.03525	24.9
180.03864	1.4
187.03969	1.2
189.02039	0.5
189.05576	6.1
190.05957	0.7
191.05632	100.0
192.05965	5.0
193.06168	1.0
203.03471	0.8
205.05029	0.8
213.05450	0.5
215.03465	3.7
219.02986	0.5
231.06656	0.7
233.04561	6.8
234.04796	0.7
259.02548	1.9
277.03610	2.1
306.23218	0.4
319.04581	1.8
323.09738	0.5
337.05670	26.1
338.06024	2.1
353.08801	39.4
354.09082	5.1
355.09683	0.6
437.28888	0.4
509.41302	0.5
529.13696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.1
59.01647	0.4
61.98853	0.5
66.03488	0.6
68.99841	0.4
69.03469	4.3
70.02991	0.7
70.86036	1.2
71.01378	2.3
72.99311	1.7
73.02919	0.4
75.00880	15.0
80.02688	0.4
82.02997	1.7
82.48329	0.5
84.04557	4.3
85.02950	3.7
89.02471	2.0
93.03469	1.6
94.02994	1.2
98.02493	77.8
98.20549	0.5
99.00877	1.7
99.02865	1.9
100.04064	1.6
102.05634	1.9
109.02963	1.0
110.02531	0.5
110.06135	1.1
111.04552	0.6
112.04073	1.0
112.07732	0.8
114.05675	0.6
115.00391	0.8
117.01944	1.0
120.04580	0.7
122.06136	2.6
123.00893	0.6
124.00409	0.4
124.04123	0.6
125.02450	0.5
126.01991	0.5
128.03563	6.3
128.07217	2.2
135.03023	32.3
136.03323	0.6
137.02490	0.7
138.05699	0.4
140.07190	2.3
145.03009	0.6
146.03717	1.7
146.04643	1.7
147.04553	1.4
148.04152	0.5
152.03551	0.7
153.56998	0.4
154.99863	0.6
158.04572	0.6
159.04626	0.4
163.04034	1.6
166.05130	1.1
172.02589	2.1
173.02454	1.8
173.04610	0.9
174.03235	2.9
175.02702	0.5
175.04016	2.6
180.06647	1.6
181.16003	1.6
183.61801	0.4
184.06171	47.4
185.06482	2.8
189.01974	0.5
191.03590	0.8
191.05603	0.9
197.19142	0.5
199.17053	1.0
201.01997	3.0
202.03571	0.9
207.17549	6.1
208.18005	0.7
209.19107	2.3
214.02696	1.3
218.02235	1.0
219.02917	1.0
223.17084	1.3
224.03781	0.4
224.20145	2.5
225.18558	1.7
237.18466	0.5
237.22263	0.5
242.02090	0.5
248.20227	1.5
249.18527	0.5
251.16701	0.4
252.19713	1.3
256.09717	2.4
264.19711	2.5
264.23218	0.9
265.18002	0.7
266.24994	2.0
276.19690	1.0
276.23224	0.7
278.17551	0.7
278.24838	0.7
280.19208	5.7
281.19724	0.5
292.22931	1.1
293.17535	0.5
295.19266	2.4
300.17526	0.4
301.18033	2.3
304.19470	0.6
304.22748	4.5
305.23306	0.4
306.20801	1.1
307.19070	0.5
308.18677	17.0
309.18945	2.6
309.49014	0.4
310.23911	1.9
311.16632	0.5
320.22357	1.8
322.24023	0.5
327.16055	2.5
329.17587	3.5
330.20694	1.0
336.22021	0.9
348.21866	2.2
349.22119	0.6
354.22928	6.5
355.15552	4.6
355.23334	0.5
362.23541	1.3
364.21448	0.7
366.22879	100.0
367.23190	14.1
368.87280	0.5
373.16693	1.6
374.06509	1.4
381.19238	1.4
393.06421	1.4
394.22464	3.2
395.23108	0.9
406.22446	0.5
408.08673	1.0
408.20422	1.1
410.21866	26.6
411.22226	4.5
422.25516	3.5
438.21280	1.7
466.24518	2.6
467.24911	0.5
468.22440	0.9
528.24731	1.1
529.20630	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	528.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00331	0.9
56.59750	0.7
59.01378	1.9
61.98829	1.9
65.99855	12.2
68.01421	9.8
68.99837	1.9
69.03459	1.1
69.46681	5.1
69.47087	1.8
71.01394	4.9
72.99329	0.7
75.00879	2.9
81.02940	0.7
81.03442	1.8
82.03017	1.4
83.00146	1.3
83.05042	1.7
85.02958	1.1
86.02505	1.5
87.00900	1.5
93.03471	16.7
94.02998	1.7
94.03803	3.9
95.05067	1.2
96.00927	11.0
96.04563	1.3
96.99323	2.7
97.02950	0.8
99.00900	65.8
100.01238	1.4
105.03469	4.3
106.03834	2.0
108.02207	1.4
108.04549	1.0
109.02985	7.5
110.02567	0.9
111.00943	1.0
111.04524	4.4
112.00460	1.6
112.04887	1.2
114.01997	12.2
115.00366	2.0
120.04610	0.9
121.02975	2.5
122.03809	0.8
123.00875	1.0
124.00428	90.1
125.00810	1.1
126.02000	25.3
126.02919	1.6
132.02228	0.8
133.02983	36.9
134.03239	12.5
135.03032	5.9
135.04559	31.2
136.03905	0.8
136.04886	14.7
137.02469	13.7
138.01898	1.2
138.02843	3.7
139.04019	1.9
139.99910	2.3
140.03561	13.3
148.04050	0.8
148.05232	0.9
149.02446	1.0
150.02031	1.0
150.03230	3.3
153.02003	1.2
155.03526	5.0
156.03842	2.1
159.03020	54.0
160.03281	1.4
161.02472	4.6
162.02798	1.7
163.04010	0.9
167.99461	0.9
168.03032	1.5
169.15950	0.8
173.04640	3.6
174.04106	10.8
175.02524	2.6
175.04047	0.9
177.01952	16.8
178.02534	11.3
178.06398	2.0
179.03526	19.4
180.03947	8.2
181.03893	1.2
184.02538	52.0
185.02893	2.2
186.04079	9.8
191.05589	4.4
193.05034	1.0
193.08745	2.4
194.09039	1.1
195.13939	2.6
195.17705	0.8
196.02553	9.8
197.04579	0.8
199.07736	1.0
200.05630	4.3
220.17177	1.9
221.15431	1.6
227.07146	2.0
228.07616	2.1
234.18619	1.2
236.02072	1.2
236.16568	2.7
248.16470	4.0
249.14799	1.0
249.17050	0.9
250.14519	6.9
252.16283	0.9
256.04608	1.1
260.16730	1.3
262.14523	4.3
262.17944	1.2
264.16086	1.0
270.07700	15.7
276.15945	1.1
277.40619	0.7
278.17599	1.0
280.15540	12.0
288.16061	2.6
290.17694	1.1
291.08432	0.9
292.15665	1.8
294.17203	3.7
304.15695	1.6
306.17282	1.3
309.17111	1.6
320.14999	1.4
332.15204	1.2
333.06174	14.2
334.06628	23.2
334.16528	4.9
335.07156	10.6
335.16580	1.0
336.07986	1.6
343.40799	0.8
345.16971	0.7
346.16800	1.3
348.08752	0.8
349.09109	1.3
350.16150	9.3
351.16711	1.3
353.16180	2.5
354.10709	0.8
354.19333	17.1
360.14392	2.2
371.11411	1.5
372.11255	3.4
373.11874	1.1
378.15521	6.1
380.22092	0.7
390.15872	2.1
393.17719	0.7
394.18466	3.9
408.16647	3.0
410.18237	37.7
411.18555	5.3
417.92340	0.7
420.16696	8.3
422.18484	0.9
438.17651	12.8
439.18256	0.9
450.17743	7.7
468.18936	1.1
484.21982	1.0
505.27380	1.0
510.19766	16.6
511.20258	2.2
528.20917	100.0
529.21277	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	527.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
61.98834	8.8
65.03973	1.2
67.01913	1.4
69.03465	1.0
69.95047	5.9
71.01388	1.8
73.02950	1.3
81.03455	2.8
83.05037	4.9
85.02953	2.5
88.98830	1.9
89.03968	1.1
93.03469	43.9
94.03790	2.2
95.01411	1.4
95.05023	3.2
99.00906	2.0
99.04467	1.4
105.03493	12.0
107.05024	2.2
108.02187	2.7
109.02971	6.0
111.00865	2.0
111.04534	12.1
113.02483	1.5
116.18175	0.9
121.02996	6.2
121.41985	1.0
123.04554	3.3
124.00404	3.6
126.01957	1.3
132.02222	2.7
133.02980	100.0
134.03830	12.3
135.04549	98.1
135.05389	1.6
136.04839	4.5
137.02475	32.5
139.04028	4.2
148.05286	2.7
149.02446	3.7
150.03267	7.6
151.04025	1.9
152.01112	1.3
153.01952	3.4
154.02724	1.6
155.03525	16.5
156.03888	1.1
159.02969	1.3
160.01595	1.7
161.02475	22.3
162.03029	1.9
163.04033	4.9
173.04608	4.7
173.05936	1.5
177.01952	50.0
178.02747	17.9
178.06329	3.2
179.03528	59.1
179.07045	2.2
180.03851	3.5
191.05632	5.4
192.04279	1.5
193.05089	2.6
193.08727	8.3
197.04678	1.9
199.02524	1.7
199.07689	2.8
209.11858	1.7
217.08661	1.0
227.07140	7.2
228.07751	2.3
229.08662	1.8
245.08124	1.0
271.06085	1.6
273.07742	4.5
273.17126	1.4
283.13541	2.0
287.42664	0.9
290.07907	2.2
301.03290	1.3
327.12479	2.5
333.06186	73.8
334.06885	36.8
335.07617	9.4
348.08536	2.7
349.09146	2.0
371.11380	13.2
372.11581	2.1
410.18036	1.8
431.94977	1.0
464.08612	1.1
483.33362	1.4
527.15668	8.0
527.32300	3.8
528.21240	2.6
535.03229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67403	0.4
55.01872	0.5
59.01410	0.4
61.98838	0.6
65.03959	1.6
67.01882	0.5
69.03473	0.7
70.99113	0.5
70.99447	1.0
71.01379	0.7
72.32893	0.4
77.03977	1.2
78.22899	0.4
81.03460	2.9
83.05034	5.0
89.04008	0.7
93.03471	36.2
94.03832	1.1
95.01395	0.6
95.05032	3.5
96.02251	0.4
97.65601	0.4
99.04539	0.4
102.06188	0.4
105.03481	10.0
106.04288	0.8
107.05031	1.0
108.02196	3.2
109.02978	6.2
111.00910	1.4
111.04541	9.0
113.02455	1.2
117.03471	0.5
121.02967	4.8
122.03777	1.8
123.04555	2.1
124.01699	0.9
131.80612	0.5
132.02180	2.0
133.02979	100.0
134.03831	11.9
135.04547	95.1
136.04866	5.3
137.02467	29.0
138.02780	0.7
139.04022	3.8
140.04553	0.5
147.04582	0.7
148.05322	2.8
149.02486	2.4
150.03249	8.7
151.04063	2.5
152.01192	1.1
153.01968	2.2
154.02779	0.7
155.03528	13.4
159.04604	0.7
160.01714	0.8
161.02473	16.6
162.03094	1.6
163.04018	3.5
164.04813	1.1
167.03464	0.6
171.02959	0.4
172.03818	0.6
172.05206	0.5
173.04570	1.8
173.06078	0.9
175.04002	1.1
177.01955	46.5
178.02736	16.9
178.06346	2.3
179.03519	53.5
180.03865	2.9
185.06120	1.3
187.07690	0.5
189.05588	0.8
191.05676	1.1
192.04289	2.2
193.05112	2.1
193.08704	8.0
194.02171	1.3
194.09036	0.5
195.02898	0.7
197.04645	1.3
199.02505	1.4
199.07680	4.0
201.05542	0.6
202.06569	0.5
203.03503	0.6
203.07204	1.1
204.04295	1.0
209.06235	0.5
211.07655	1.3
213.05527	0.6
215.07259	0.5
227.07141	7.2
228.07912	1.7
229.08839	1.0
235.06046	1.0
245.08195	1.4
271.06177	1.9
273.07724	3.1
274.08014	0.7
283.13287	0.5
289.07141	0.6
290.07956	2.8
291.08636	0.6
322.07016	0.9
327.12335	2.2
333.06171	61.3
334.06885	32.0
334.11169	0.7
335.07578	8.1
336.08356	0.8
341.86148	0.4
348.08517	2.2
349.09241	1.8
353.10385	1.3
371.11362	10.8
371.78455	0.5
372.11646	1.8
410.98309	0.6
527.15509	6.5
527.23016	0.6
528.16022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69392	1.1
57.03436	2.2
59.01382	5.7
61.98834	12.6
65.03993	2.3
69.03465	1.2
71.01387	5.3
77.03970	2.0
81.03474	5.0
83.05032	14.3
84.05421	1.4
85.02973	2.0
87.00923	1.6
88.98801	1.8
93.03476	85.3
94.03773	3.5
95.05035	2.5
97.17165	1.3
98.43495	1.3
99.00874	2.0
99.04504	1.7
101.02461	1.8
105.03473	6.5
109.02956	6.5
111.00824	1.4
111.04539	46.8
112.04896	1.6
113.02462	1.8
114.01926	1.5
114.26964	1.5
116.92879	1.5
119.03465	1.5
121.02984	9.4
123.04530	2.5
124.00395	2.0
125.02398	2.7
132.02196	4.9
133.02980	83.6
134.03822	13.8
135.04552	100.0
136.04840	2.5
137.02473	39.1
139.04050	5.6
149.02472	8.4
150.03201	2.2
151.07617	4.1
155.03522	49.8
156.03844	1.8
160.01634	6.3
160.03818	1.4
161.02457	36.4
162.02921	2.3
163.04027	5.0
173.04555	9.1
173.06013	2.8
177.01953	44.6
178.02711	24.2
178.06314	3.7
179.03522	87.3
180.03795	3.7
191.05615	12.2
193.08708	18.8
194.09026	1.9
207.10223	2.8
209.11874	1.7
227.07155	2.0
245.08170	4.0
252.07240	1.4
272.09348	1.7
272.78577	1.4
283.13397	4.2
289.07150	2.3
290.07947	5.9
291.08423	1.6
301.03162	2.1
327.12317	4.1
327.15903	1.8
333.06189	39.7
334.06912	23.9
335.07791	6.6
353.10278	3.2
371.11365	27.8
372.11572	2.6
410.18820	1.6
464.09143	3.7
465.32162	3.4
483.33478	7.7
503.19876	2.7
527.15460	5.2
527.32233	4.4
528.20776	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	527.1561
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
53.79790	0.6
54.42225	0.6
57.03446	6.1
59.01393	3.2
61.98838	10.5
65.03979	1.1
71.01413	1.8
71.47155	1.5
73.02974	1.9
79.82987	0.6
81.03489	1.7
83.05058	2.2
85.02956	1.4
89.02466	0.9
93.03479	14.1
96.96027	1.1
99.00945	0.9
99.04548	7.5
99.92628	2.8
101.02502	1.8
108.02241	0.8
109.02989	2.8
111.04562	4.4
115.92123	2.5
116.92889	23.8
117.92933	2.2
121.03007	2.2
123.00916	1.0
124.01683	1.8
125.02475	11.1
135.04575	0.9
137.02473	6.4
138.03255	0.6
139.04039	1.6
147.04555	1.5
151.00409	1.8
152.01065	0.8
153.05621	1.2
155.03577	2.3
159.03433	1.0
159.04521	4.7
161.09731	1.2
162.65819	0.8
162.94736	0.9
171.04561	1.2
173.04617	7.2
173.06068	38.5
174.06499	2.7
175.04007	1.4
178.99995	1.0
179.10837	2.4
186.15706	0.7
187.04074	1.3
191.05627	3.2
193.12379	1.0
203.03546	1.5
203.10791	3.5
206.09566	1.0
217.05052	17.9
218.05350	1.1
221.11836	13.1
222.12360	1.1
223.07648	0.7
226.96588	2.9
227.03389	0.8
239.31265	0.7
240.04279	2.5
241.08885	0.7
247.10580	0.7
251.07182	2.6
253.08771	1.6
254.05821	0.8
255.03143	0.7
256.03601	2.4
265.04977	1.6
266.05884	1.4
268.03818	7.6
269.04413	1.0
269.08255	4.5
271.02594	1.6
271.06033	1.2
272.02866	1.2
279.06689	3.8
280.07166	1.2
281.04666	1.4
281.08014	1.1
282.05420	3.9
283.06097	7.2
295.06253	1.6
296.07022	3.2
297.07715	37.3
298.01062	0.8
298.08286	5.7
300.02786	3.6
300.06396	2.1
301.03397	8.5
302.03925	9.2
303.04083	1.0
310.08447	2.7
311.09286	4.7
312.10013	15.9
313.03503	3.0
313.10492	2.1
325.10931	0.9
326.08038	1.8
327.12387	39.0
328.12610	4.7
341.06335	0.9
344.09079	2.3
356.08859	0.7
357.10089	1.1
371.11392	92.8
372.11703	11.8
445.07611	1.0
446.08102	6.6
447.08453	1.2
464.09344	3.5
465.27112	2.3
476.09171	1.3
491.12189	3.3
492.12357	0.9
527.08716	6.8
527.15588	100.0
528.08856	1.5
528.15875	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	527.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17463	0.7
59.01369	1.6
61.98839	1.7
62.98409	0.5
64.28445	0.5
65.03960	2.2
65.99847	3.8
67.01907	0.7
68.01417	2.1
68.99843	0.6
69.03464	1.2
71.01390	1.6
75.00888	1.5
77.03997	1.0
81.03464	2.0
83.05051	4.8
85.02973	1.0
87.00858	1.1
89.03968	1.0
93.03474	38.5
93.90826	0.5
94.03800	1.3
95.01395	0.8
95.05046	2.9
96.00926	3.5
96.99371	0.7
98.19884	1.7
99.00896	20.8
105.03487	10.8
107.05048	1.5
108.02201	2.9
108.83828	0.6
109.02982	8.0
111.00905	1.7
111.04545	10.1
112.00426	0.8
113.02468	0.9
114.02007	3.3
115.00394	0.8
121.02981	5.2
122.03779	1.6
123.04552	2.0
124.00433	28.1
125.02428	0.8
126.01988	8.0
132.01353	0.6
132.02167	3.1
133.02982	100.0
134.03827	11.9
135.04550	87.7
135.95302	0.5
136.04889	4.4
137.02467	33.6
138.02853	0.6
139.04053	3.5
139.99980	0.6
140.03571	4.0
148.05331	2.5
149.02473	3.0
150.03264	8.6
151.04002	2.0
152.01169	1.1
153.01936	3.3
155.03539	16.1
159.03023	16.5
159.04340	0.8
160.01755	1.3
160.07146	0.6
161.02466	15.3
161.06134	0.7
162.02921	0.9
163.04041	3.2
164.04756	1.1
173.04546	1.7
174.04187	3.1
175.04007	1.1
177.01958	46.1
178.02733	17.8
178.06342	3.4
179.03528	50.3
179.06905	2.9
180.03984	2.7
184.02534	14.4
185.06088	1.2
186.04131	2.4
187.04016	0.7
189.05618	0.8
191.05611	2.7
192.04311	1.6
193.05048	1.3
193.08742	7.6
194.02199	1.4
195.02936	0.6
195.13977	0.8
196.02539	2.5
197.04546	1.5
199.02454	1.3
199.07684	3.8
200.05725	1.3
201.05695	1.0
203.07126	0.7
209.06284	0.7
211.07623	1.0
213.05487	0.9
215.07201	1.1
220.17041	0.8
227.07159	6.4
228.07904	1.2
229.08672	1.9
229.51727	0.7
231.06615	0.8
245.08438	0.8
248.16560	2.0
250.14429	2.9
262.14462	0.7
270.07681	3.9
271.06268	1.2
273.07773	3.4
273.17078	0.7
276.16174	0.7
280.15536	3.7
283.13437	1.3
288.16006	0.9
289.06992	0.9
290.07901	2.6
294.17056	1.1
295.23770	0.6
306.17087	0.5
321.31073	0.5
322.07007	1.3
327.12451	1.4
333.06183	71.2
334.06860	32.0
334.16440	1.3
335.07657	9.9
336.07645	1.0
348.08533	3.0
349.09250	1.8
350.16052	3.0
353.10208	1.1
353.16165	0.7
354.19357	5.7
364.08231	0.8
371.11371	11.1
372.11713	1.8
378.15659	1.8
394.18781	1.3
406.18491	0.6
408.16669	0.8
410.18246	13.5
420.16577	3.0
438.17532	4.7
450.17670	1.5
510.19785	6.6
527.15558	6.0
527.23035	1.3
527.31464	0.6
528.20966	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	19.5
57.03734	1.2
58.03786	0.8
59.01381	17.3
61.61498	0.6
61.98833	100.0
71.01383	4.0
71.11554	0.8
71.69891	1.0
73.02934	0.9
78.95910	1.0
83.01406	1.3
85.02986	1.8
87.00882	0.7
88.68739	0.6
89.02477	0.8
93.03484	2.5
99.00867	0.6
99.04527	22.2
99.05154	1.2
100.04888	0.9
101.02457	8.4
109.03032	0.6
111.04566	1.1
113.02483	1.8
114.58944	0.6
121.03042	0.7
125.02451	7.1
135.04521	0.7
137.02284	0.8
143.03546	0.8
147.04611	1.5
151.00378	1.1
161.04585	0.6
173.04607	1.7
175.04077	1.0
191.05676	2.7
231.30197	0.7
271.02646	1.8
291.19788	2.8
300.02969	2.6
301.03467	1.0
319.21307	5.1
320.13531	0.6
329.17679	1.4
348.75552	0.7
361.22333	2.1
371.11353	1.0
463.08932	3.2
463.25531	8.9
464.09448	0.9
464.25900	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1559
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
55.01861	0.6
57.03461	1.1
59.01381	3.4
61.98837	13.6
65.03948	0.8
71.01382	2.2
71.71616	0.9
73.02950	2.7
78.95935	1.1
79.81355	0.5
81.03473	1.6
83.05052	3.0
85.02959	1.9
89.02454	0.5
93.03473	20.9
94.03827	0.7
99.00943	0.6
99.04543	1.2
101.02466	1.2
107.05089	0.6
108.02168	0.7
109.02966	2.3
111.04542	4.0
113.02473	1.3
119.05019	0.6
121.02995	1.4
121.95449	0.5
124.01694	0.8
125.02463	0.7
130.08768	7.0
131.09123	1.6
133.02983	1.0
134.03755	0.8
135.04547	11.3
136.04918	0.6
137.02477	7.6
139.04031	0.6
145.02931	0.9
147.04532	1.2
149.02422	1.4
150.03227	0.7
151.04048	2.7
151.07628	0.8
153.05574	0.9
155.03513	2.4
158.03784	0.6
159.04546	1.9
160.01680	1.2
160.05327	3.1
161.02483	10.5
161.04630	0.6
161.06100	2.2
162.02867	0.7
163.04063	0.7
164.04942	1.1
167.03548	0.6
172.05278	0.6
172.09799	0.6
173.04590	3.8
173.06123	2.0
174.06935	3.7
177.05605	0.6
179.03545	1.7
179.05685	0.5
179.07158	2.2
187.04008	1.8
191.05637	3.8
193.05075	0.7
194.11874	1.1
200.04741	1.4
207.08176	2.3
209.06059	1.1
209.11856	1.3
210.06813	0.6
211.07645	0.7
214.10918	1.0
215.03406	0.6
215.11189	0.8
223.07649	2.5
225.05576	0.9
225.09204	1.8
233.06081	1.6
234.06555	0.6
235.07722	3.7
236.08080	0.7
238.10938	1.0
239.07210	1.1
239.11017	0.8
241.08974	0.8
249.05595	1.0
250.06212	1.2
251.03250	0.7
251.07117	11.5
252.07419	1.0
253.05020	0.7
253.08769	1.4
254.05557	0.6
256.11780	0.7
261.05670	0.8
262.06198	0.8
263.07169	0.9
264.04327	0.8
264.07938	0.9
265.05090	1.2
267.06653	1.8
269.08102	1.4
277.05130	2.0
278.05814	1.4
279.06628	29.0
280.07285	5.6
281.08118	5.9
282.05386	2.4
282.08615	1.0
295.06149	4.1
295.09656	2.0
296.06866	3.4
296.10553	1.7
297.07721	22.3
298.07947	2.7
300.02545	0.6
301.03098	0.7
305.04614	2.6
306.05106	1.5
306.08017	1.1
307.06015	1.6
308.03271	1.8
309.07782	0.6
310.08557	0.8
311.09189	2.2
312.10052	29.2
313.10422	3.5
321.07822	1.4
323.05646	12.9
324.06064	1.4
325.10767	0.6
327.12396	55.8
328.12766	7.1
338.07956	3.7
339.08875	1.7
341.06619	4.2
353.10358	20.8
354.10721	2.7
356.08975	4.6
357.09424	0.7
368.09528	0.6
371.11389	67.8
372.11783	8.4
464.09497	0.7
465.32343	1.3
483.16501	0.7
512.20544	1.2
527.15607	100.0
528.15857	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	526.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.6
59.01387	3.9
61.98835	19.9
63.02377	0.4
65.00334	1.0
71.01398	1.7
71.71286	0.5
71.71664	0.4
73.02956	1.0
78.91875	0.4
78.95909	0.8
81.03480	0.6
83.01404	0.9
83.05027	0.5
85.02966	1.2
88.98826	0.6
89.02469	0.8
93.03468	3.6
95.01414	0.4
95.84385	0.3
96.96031	2.2
96.97009	0.4
99.00956	0.3
99.04540	3.6
99.92599	3.0
101.02461	2.1
107.01441	1.6
108.02177	1.2
109.02985	2.7
111.00922	0.7
111.04536	1.6
113.02496	0.7
115.92108	2.4
116.92884	23.7
121.02963	2.4
123.00894	0.6
124.01711	0.7
125.02474	2.8
133.02959	2.1
134.03716	0.4
135.00891	0.5
135.04523	2.4
136.98853	0.6
137.02466	2.9
139.00426	0.9
139.03952	0.6
141.93593	0.4
145.02919	0.5
149.02499	0.6
151.00395	7.1
152.01151	0.7
155.03464	0.7
157.06615	0.4
158.93855	0.4
159.04549	1.0
160.04094	0.4
161.02487	1.2
161.04498	0.5
161.05989	0.4
161.09698	0.4
163.00389	1.7
163.03925	0.5
164.98302	0.5
165.01968	1.6
166.99879	0.8
169.01427	0.7
173.04579	1.8
173.06107	4.1
175.03975	1.1
178.99879	3.9
179.03545	0.5
179.10831	0.9
182.97604	0.8
187.04028	0.7
189.01923	0.4
191.05641	1.7
192.00648	0.3
193.12375	0.4
195.04762	0.3
199.03998	0.5
201.05602	0.8
203.03413	0.8
203.10806	0.9
206.09596	0.4
211.04012	1.1
213.05463	0.4
214.02657	0.4
215.03548	0.6
216.04190	0.3
217.05081	2.3
221.11868	5.7
223.07710	0.4
226.02672	0.6
226.96497	3.2
227.03543	0.8
229.05042	0.9
239.03540	0.6
243.02968	2.1
244.03595	0.3
245.04527	1.4
254.02190	0.6
255.02979	7.1
256.03455	1.1
257.04468	0.6
266.05853	0.5
267.06635	0.4
268.03836	0.8
268.07224	0.5
269.08203	0.5
271.02472	12.0
272.02991	1.3
273.03973	0.9
279.06766	0.6
282.01712	0.5
282.05295	0.5
283.02502	1.5
283.06152	0.9
285.03983	0.6
295.06201	1.0
296.06610	0.8
297.07755	3.9
298.01364	0.4
299.02029	1.0
300.02786	24.5
301.03549	100.0
302.03925	11.1
310.08414	0.7
311.09122	1.0
312.10086	1.5
313.03571	2.5
325.10898	0.6
327.12387	4.8
339.05115	1.0
353.06909	0.7
369.09915	1.0
370.10284	1.8
371.11365	11.7
445.07782	31.3
446.08112	4.4
447.08984	0.5
463.08844	22.0
463.25797	2.5
464.09213	3.0
476.09702	0.4
491.06723	0.6
491.12027	2.9
495.09305	0.6
526.14832	1.6
526.22687	0.5
527.08514	6.5
527.15668	13.1
527.23120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71475	0.8
53.43709	0.7
61.98835	8.3
62.01871	0.6
62.76223	0.7
65.00340	0.7
67.99059	0.8
71.20062	1.1
71.20390	1.4
75.45127	0.7
77.01202	0.7
107.01402	1.3
108.02154	0.7
109.02924	0.9
109.29900	0.7
121.02978	1.7
133.77705	0.7
136.93213	0.7
137.63634	0.7
151.00392	10.1
157.18634	0.8
159.04507	0.8
163.00414	1.7
178.99850	5.6
226.02727	1.8
227.03429	1.8
243.03043	6.4
245.04225	1.2
254.02296	1.4
255.00461	1.3
255.03006	16.6
256.03479	2.1
271.02457	40.4
272.02887	4.0
273.03970	0.9
300.02762	100.0
301.03458	42.7
302.03851	2.4
463.08810	99.9
464.09195	13.7
498.88794	0.8
515.05023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00928	0.7
57.03441	2.9
59.01374	5.0
61.98832	39.8
63.02402	1.3
63.53917	0.7
65.00327	1.7
71.01382	2.8
71.71422	1.1
73.02952	2.9
78.91869	0.8
81.03478	1.1
83.01400	2.5
83.05038	3.0
85.02956	2.1
87.00909	1.2
88.98817	3.0
89.02437	1.8
93.03467	14.9
95.01426	0.8
95.74551	0.8
99.04545	1.2
101.02462	2.0
106.00610	0.7
107.01388	4.2
108.02206	2.1
109.02983	4.5
111.04542	6.6
113.02487	2.0
116.92857	1.7
119.03574	0.9
121.02969	6.9
123.00893	2.8
123.04575	0.9
124.01673	2.4
125.02455	2.9
135.04536	2.7
137.02463	6.1
138.03239	3.1
139.04033	3.2
145.02895	1.3
145.06613	0.8
147.04532	1.3
149.02440	1.2
151.00383	18.5
151.04059	0.7
152.01115	2.1
153.02029	0.9
153.05557	3.1
155.03505	3.2
159.04532	2.8
159.89436	0.7
160.05302	1.0
161.02434	2.3
163.00397	5.3
169.01440	1.8
171.04535	2.8
172.05377	2.2
173.04585	4.1
173.06070	37.5
175.03983	1.9
178.99889	9.8
179.03395	1.4
183.04417	0.9
187.04045	1.5
190.99930	1.0
191.05627	3.3
194.72951	0.7
201.05611	0.9
202.02750	1.4
203.03490	1.6
211.03944	1.0
213.09164	0.9
217.05069	35.7
226.02771	1.3
227.03563	2.0
229.04945	1.0
240.04478	1.0
243.02986	5.5
244.03389	0.8
245.04587	2.2
254.02155	1.0
255.02975	18.2
256.03439	2.0
266.05807	1.4
268.03555	0.9
269.08228	1.7
271.02469	31.7
272.03006	3.1
273.04074	2.4
279.06610	1.4
281.04581	2.4
282.05426	3.7
283.02527	2.7
283.06110	1.9
295.06055	1.1
296.06726	3.5
297.07718	12.2
299.02161	3.7
300.02759	62.5
301.03522	100.0
302.03897	9.7
310.08411	1.3
311.09189	4.0
312.10117	4.6
327.12347	11.8
341.06631	2.7
344.09006	1.1
355.08163	0.9
360.23724	0.9
365.32932	0.9
370.10434	1.1
371.11389	35.3
373.09323	9.8
431.13461	1.9
445.07764	75.3
446.08176	11.9
447.09464	2.0
463.08826	31.8
464.09189	5.9
484.09494	0.9
527.15576	55.3
529.31647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01380	1.8
60.99307	13.7
61.98834	20.0
65.51112	0.3
67.70477	0.3
71.01385	0.8
71.33684	0.3
78.95902	0.7
82.15938	0.4
83.01391	0.6
85.02967	0.5
88.98818	100.0
89.99152	1.4
90.99262	0.4
93.03484	1.1
96.96013	0.6
99.04536	0.5
101.02457	0.6
107.01404	0.6
108.02193	1.6
109.02983	1.0
113.02448	0.4
121.02985	0.6
123.04503	0.6
125.02488	0.4
135.04524	0.7
137.02475	0.5
145.02977	0.5
146.08249	0.5
151.00374	1.5
152.01207	1.3
153.01956	0.7
160.01750	0.4
163.00397	0.4
163.03966	0.4
167.03532	1.5
171.00555	0.4
173.04533	0.4
177.01939	0.4
178.99924	1.0
179.03598	0.3
191.05710	0.9
209.36436	0.3
243.02962	0.7
255.03062	1.7
271.02469	3.1
273.07645	2.3
283.02448	0.6
283.07385	0.4
294.32831	0.3
300.02765	5.8
301.03558	10.0
310.08514	0.4
325.11084	0.4
327.05197	0.6
339.04947	0.4
369.09860	0.9
371.09851	0.4
429.99969	0.3
433.10120	0.4
435.12909	0.5
445.07813	7.1
462.11475	0.9
463.08774	3.5
463.25287	1.8
525.16254	0.6
526.16754	0.4
543.86621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37452	0.2
57.03446	0.7
58.56541	0.2
59.01376	1.1
59.77809	0.2
60.99309	0.7
61.98833	100.0
68.88443	0.3
70.03513	1.2
71.01392	0.6
72.99323	0.2
73.02938	0.3
85.02981	0.4
88.98819	5.6
89.02499	0.3
93.03475	0.6
96.96044	0.3
99.04541	0.9
101.02463	0.6
115.98242	0.3
125.02494	0.4
137.02432	0.3
169.50639	0.3
173.04488	0.5
175.04012	0.3
191.05623	0.4
199.04027	0.3
209.33855	0.2
219.06635	0.3
227.03656	0.5
242.02197	0.6
243.02957	3.8
255.02965	0.5
257.04620	1.3
270.01840	0.9
271.02454	4.7
272.02887	0.6
285.04007	2.4
286.04767	0.8
289.26639	0.3
299.02020	1.7
300.02640	1.6
314.04312	8.0
315.04993	4.8
315.08264	0.3
316.05588	0.3
320.59732	0.3
424.22659	0.3
461.10880	16.8
462.11191	2.6
465.42426	0.3
518.43542	0.3
523.35089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89804	1.7
55.40968	1.4
57.03461	2.5
59.01368	4.9
61.78382	1.4
61.98836	9.6
67.01894	3.1
69.75562	1.5
71.01387	5.6
78.27437	1.3
81.03487	1.5
83.01395	3.2
85.02969	19.0
87.00894	6.0
93.03474	15.7
96.96016	1.9
97.02969	1.6
98.19850	3.5
99.00890	3.9
101.02471	4.6
109.02962	3.7
109.22500	1.3
111.04527	3.2
119.05065	3.5
122.18145	1.7
124.01683	3.1
125.02445	7.8
127.04017	3.4
128.04350	1.5
133.02962	3.4
135.04506	3.7
137.02475	8.1
147.04565	3.3
149.02446	2.3
150.03194	2.9
151.03983	3.6
155.86855	1.6
159.04550	1.9
161.02507	3.5
162.03241	7.4
163.04021	7.3
165.05568	2.5
171.02998	2.1
173.04591	14.5
175.03999	2.0
177.01933	13.6
177.05627	1.8
179.03430	1.9
187.03957	2.0
189.01924	9.2
190.02736	57.3
191.03522	11.3
191.05618	98.8
192.05963	4.8
193.94621	1.6
195.06528	1.8
203.03554	2.4
203.07248	1.8
219.02985	15.7
222.01692	5.4
227.07196	2.0
231.03027	2.1
233.00911	1.7
249.04042	63.3
250.04405	3.3
271.06107	2.2
283.38278	1.7
315.05139	2.0
333.06158	100.0
334.06534	10.8
351.07248	50.7
352.07581	5.5
405.15628	1.6
465.90512	1.8
479.39343	1.7
525.12506	91.4
526.12946	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01369	2.9
61.98838	1.9
71.70540	0.9
78.95914	26.5
83.05029	0.8
85.02948	0.7
93.03465	2.1
96.96975	2.9
109.02993	1.9
113.09736	2.5
135.04556	1.0
137.02411	0.7
146.02577	0.7
152.99612	37.6
171.00621	2.4
173.04567	1.9
174.20868	0.6
179.14407	2.0
181.12314	0.8
191.05637	1.3
193.41997	0.7
195.13924	24.0
195.46861	0.8
196.14307	1.4
222.05528	0.8
227.03261	3.3
245.04404	1.2
250.05110	2.1
252.06784	1.7
253.63441	0.7
272.09406	1.2
277.21729	17.4
278.22119	2.8
293.20956	0.8
295.22800	69.5
296.23141	9.1
431.21661	1.1
465.97644	0.7
523.26764	100.0
524.27045	16.6
548.59167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26010	0.2
57.03473	0.3
59.01377	2.4
61.98834	100.0
64.79157	0.2
69.75677	1.9
71.01405	1.6
72.99310	0.3
73.02959	0.5
75.00889	0.3
78.95958	0.3
83.01427	0.4
84.29428	0.3
85.02980	0.6
87.00897	0.3
88.30818	0.3
88.98838	0.5
89.02479	1.1
93.03469	0.8
94.21548	0.2
95.45033	0.2
98.20596	0.5
99.04518	0.3
101.02483	0.8
108.02180	1.3
109.03008	1.5
113.02456	0.5
116.51726	0.2
125.02526	0.4
135.04558	0.5
137.02498	0.3
152.01193	0.8
152.03551	0.6
153.01894	0.3
173.04640	0.9
173.11624	0.3
179.03531	0.4
187.76843	0.3
191.05678	1.2
253.09386	0.6
255.02977	2.2
256.09747	1.4
257.10147	1.1
274.12814	0.3
275.03821	0.3
283.02475	4.8
283.05371	0.3
284.03210	1.3
287.22318	2.6
288.22644	0.5
298.04861	5.6
299.05548	2.9
361.29556	0.3
405.67175	0.3
461.10889	8.9
462.11276	1.1
474.21091	0.3
523.18536	0.5
523.34802	2.0
524.18494	1.6
524.35425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13507	0.2
57.03450	17.9
59.01382	15.8
61.98833	100.0
70.62603	0.9
71.01385	3.9
73.02952	1.2
78.95938	0.3
79.87872	0.3
82.77044	0.3
83.01404	0.6
83.05040	0.3
83.69009	0.3
85.02962	1.8
87.00912	0.3
89.02459	0.7
93.03493	1.4
98.20503	0.3
99.00921	0.8
99.04533	19.0
100.04885	0.4
101.02453	6.4
101.03080	0.4
109.02985	0.6
111.04563	0.8
113.02469	2.0
119.03600	0.4
123.04587	0.3
125.02468	6.7
125.03298	0.4
129.48830	0.3
133.02943	0.4
134.03738	0.3
135.04555	1.1
137.02512	0.8
140.81783	0.2
143.03548	1.0
155.03609	0.3
161.02483	0.3
161.04559	2.2
173.04539	1.3
179.03540	0.6
187.04102	0.4
191.05634	2.0
209.11888	0.5
227.12892	0.3
283.13629	0.7
285.94006	0.3
315.18222	3.8
345.17120	0.3
357.19244	1.9
397.22586	0.8
459.22327	9.8
460.22769	1.3
505.71457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56669	0.6
54.27711	0.6
56.17413	0.6
57.03453	20.0
59.01382	19.5
61.98836	100.0
68.25596	0.5
69.93417	3.0
71.01385	5.1
72.99335	1.0
73.02956	1.2
78.95937	1.7
83.01411	0.7
85.02970	2.6
87.00892	1.4
87.04506	0.6
88.98840	1.9
89.02468	2.8
93.03478	3.8
99.04533	22.1
99.05161	1.3
100.29295	0.6
101.02476	8.1
111.04527	1.0
113.02489	1.8
119.03529	1.7
120.56162	0.6
123.04562	1.0
125.02468	8.4
133.02994	1.0
135.04617	1.1
137.02502	1.3
143.03569	1.2
155.03595	0.8
156.33405	0.7
159.04523	0.8
161.04623	1.1
173.04590	4.5
174.04881	0.7
177.01799	0.7
179.05586	0.7
191.05634	7.1
192.06068	0.7
209.11905	2.6
283.13556	2.3
284.13605	0.7
315.17966	2.9
327.16183	1.1
357.19116	3.4
397.22580	1.6
423.56274	0.6
459.22369	20.9
460.22784	4.0
500.15137	0.6
505.71478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01377	3.5
60.99309	15.6
61.98825	1.8
62.15286	0.3
65.00327	0.5
69.51890	0.5
69.52304	3.3
71.01391	2.8
73.02948	1.3
83.01395	1.0
85.02962	1.2
88.98816	100.0
89.02441	1.8
89.99150	1.5
93.03481	0.8
98.19940	0.7
99.00911	0.5
101.02449	1.8
107.01410	0.9
108.02193	0.5
109.02971	1.1
113.02474	1.1
119.03544	0.5
121.02965	1.7
125.02490	0.6
135.04544	1.1
137.02452	0.6
146.04663	0.4
148.01729	0.7
149.02441	0.5
149.04523	0.4
151.00407	4.5
152.00995	0.5
153.01909	0.4
161.04555	1.2
163.00430	1.4
165.05569	0.8
173.04521	0.5
176.86861	0.4
178.99887	3.0
179.03429	0.6
180.00203	0.5
187.04044	0.5
191.05624	1.7
199.29282	0.4
209.11870	4.7
216.27133	0.3
226.02689	0.4
227.03600	0.7
227.12915	0.8
243.03038	3.7
245.04471	0.6
253.09297	0.6
254.02217	1.2
255.02951	11.5
256.03421	1.3
271.02457	23.9
272.02939	2.5
273.04065	0.6
283.02396	0.7
299.02213	0.4
300.02762	47.7
301.03473	31.1
302.03922	1.8
331.17697	0.7
334.31992	0.4
361.16672	1.2
433.07779	69.0
434.08096	9.2
463.21707	5.4
464.22339	0.5
523.14636	0.6
523.21759	3.2
523.27533	0.4
524.22229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	14.8
59.01384	15.5
59.66144	0.3
60.01728	0.4
60.29906	0.4
61.98834	100.0
67.01901	0.4
71.01393	5.1
71.69764	0.5
71.70177	0.4
72.99303	0.5
73.02972	2.3
78.95918	0.5
81.03487	0.7
83.01419	1.1
85.02966	1.9
85.15803	0.4
88.98842	0.5
89.02441	1.6
93.03461	3.7
94.03802	0.6
99.00922	0.5
99.04536	17.3
101.02462	6.8
109.02998	0.6
111.04545	0.9
113.02483	2.7
119.03573	0.4
123.04559	1.2
125.02477	5.2
133.02940	0.4
134.03815	0.5
135.04562	1.4
137.02501	1.0
143.03558	1.4
149.04587	0.6
155.03552	0.6
159.04552	0.5
161.02472	0.4
161.04558	1.7
173.04596	3.7
173.05978	0.6
174.04950	1.4
175.05182	0.4
179.03561	1.0
191.05688	2.9
202.06342	0.6
203.49516	0.3
209.11815	1.7
210.12271	0.7
211.12410	0.6
245.75963	0.3
261.52811	0.3
267.05338	0.6
268.06027	0.7
269.06467	0.5
272.59991	0.4
273.10071	0.4
273.60254	0.5
281.07047	0.4
281.60553	0.5
283.13422	2.5
284.13663	2.2
285.14197	1.0
299.16400	0.4
301.14627	0.7
301.49472	0.4
302.14728	0.4
309.15048	0.5
313.62488	0.4
315.18198	1.7
327.16031	0.5
328.16702	0.6
337.74258	0.4
345.17285	0.5
346.17407	0.4
357.19196	1.7
400.15021	0.5
400.65503	0.4
403.18140	0.4
403.69217	0.4
459.22437	13.8
460.22717	2.5
462.31607	0.8
505.71497	4.5
506.21954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59453	0.1
52.84531	0.1
57.03459	0.3
58.00610	0.2
59.01383	4.0
60.01709	0.2
61.98832	100.0
62.93788	0.2
71.01385	2.4
71.19314	0.3
71.19653	0.2
72.99345	0.2
73.02956	0.5
75.00884	0.4
81.28195	0.1
83.01407	0.4
85.02957	1.6
86.00072	0.1
87.00922	0.6
88.98827	0.4
89.02460	1.2
92.67630	0.1
93.03445	1.1
95.01403	0.3
99.00933	0.3
101.02461	1.5
103.37212	0.1
105.88938	0.1
108.02223	0.6
109.02977	0.5
111.00915	0.3
111.04592	0.2
113.02465	1.0
119.03519	0.4
121.02988	0.1
125.02472	0.4
135.04555	0.3
137.02478	1.0
145.03004	0.1
152.01204	0.5
153.01912	0.4
154.02342	0.2
155.03612	0.1
159.03201	0.1
161.04527	0.3
167.71477	0.1
173.04581	0.8
191.05620	2.2
192.06024	0.2
201.11426	0.2
209.11874	0.9
283.13483	0.4
284.13742	0.2
287.22330	0.5
290.10754	0.2
300.02997	0.1
309.15131	0.2
327.16083	0.3
340.17639	0.1
345.16806	0.2
359.28265	0.2
360.28305	0.3
361.29608	0.6
408.15976	0.2
431.26709	1.5
449.27618	1.0
461.31165	0.4
462.31482	0.3
478.18228	0.4
479.32401	0.2
480.32474	0.2
504.21350	0.3
513.21790	0.5
513.71588	0.2
521.33203	0.7
522.17358	0.6
522.33521	1.0
523.34937	5.6
523.42938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81186	0.2
55.07320	0.2
57.03452	12.6
59.01382	12.4
60.01711	0.3
60.99312	0.4
61.98833	100.0
67.01910	0.3
71.01388	3.5
71.70423	0.4
72.99313	0.3
73.02961	1.1
81.03462	0.5
83.01420	0.5
83.05023	0.4
85.02959	2.9
87.00920	0.7
88.98814	1.9
89.02497	0.5
89.68610	0.2
91.85848	0.2
93.03470	3.4
94.03835	0.3
95.01422	0.5
99.00915	0.6
99.04535	13.4
101.02459	5.7
101.03080	0.4
102.02803	0.3
104.01024	0.2
109.02980	0.5
111.04533	1.3
113.02489	1.4
116.92919	0.3
119.03545	0.3
125.02472	3.6
127.04038	0.3
135.04494	0.6
135.07941	0.3
137.02484	0.9
141.75681	0.3
143.03564	0.7
155.03549	0.7
156.41135	0.2
159.04544	0.4
160.05231	0.2
161.04578	1.2
172.05354	0.7
172.08260	0.3
173.04565	4.5
174.04904	0.7
179.03481	0.8
187.04041	0.5
191.05632	6.5
191.52016	0.2
192.05988	2.2
193.06136	1.4
202.06313	0.5
204.04364	0.3
207.10381	0.3
209.11845	3.4
210.12239	1.0
211.12448	0.3
227.03563	0.8
228.04027	0.6
229.04840	0.3
271.58020	0.3
272.09741	0.5
283.13400	4.4
283.16302	0.4
284.13727	1.5
285.14252	0.5
301.14514	0.9
302.14987	0.3
309.14810	0.5
315.18176	2.2
327.15967	1.0
328.16479	0.3
345.17017	0.5
346.17422	0.4
353.14056	0.5
357.19254	1.0
397.22375	0.7
399.14850	0.3
399.64929	0.6
400.15237	0.7
400.65417	0.5
459.22357	12.2
460.22720	2.0
462.24243	0.4
462.31876	0.3
495.20746	0.4
496.71234	0.8
504.20999	3.6
504.71460	1.7
505.21463	0.7
505.71555	5.5
506.21866	1.0
522.33112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04515	0.4
53.59008	0.4
54.95140	0.4
55.06437	0.4
57.03453	1.0
59.01374	2.3
60.99287	0.6
61.98847	0.8
67.01902	3.5
68.07153	0.5
69.03472	0.6
70.94037	1.5
71.01402	3.1
78.95933	1.1
81.03480	1.1
83.05058	1.0
85.02969	6.5
87.00925	2.2
93.03472	26.0
94.03826	1.1
97.98620	0.4
107.05054	0.9
109.02988	1.5
111.00933	1.1
111.04545	5.1
116.92871	0.9
121.06614	0.8
127.04048	2.1
134.03793	3.8
135.04544	0.8
137.02477	5.5
147.04593	1.4
148.05336	1.3
149.06116	14.1
150.06477	0.8
155.03548	6.3
161.02463	1.8
172.05330	9.7
173.04596	67.6
173.06071	5.5
174.03276	1.8
174.04932	3.0
175.04042	9.0
176.04778	3.2
185.06148	3.9
185.88477	0.4
186.06888	1.8
186.22928	0.5
191.05644	43.4
192.06004	2.1
204.04315	1.4
275.20200	0.5
283.17014	1.0
285.18607	86.5
286.18951	10.5
287.16522	1.6
288.17169	1.0
303.19675	100.0
304.19989	13.0
327.59091	0.5
329.17563	11.5
330.17944	1.1
347.18665	39.3
348.18988	5.1
521.18323	1.4
521.24139	14.6
522.24500	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	521.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54910	0.2
57.03473	0.3
61.98825	0.3
63.68030	0.2
70.46339	0.9
71.05039	0.4
72.64201	0.2
81.03467	0.3
99.04539	0.9
102.44103	0.2
109.02975	1.8
153.12859	0.7
162.07137	0.2
169.16035	0.3
171.13895	0.3
189.65918	0.2
195.13885	0.8
196.50090	0.2
197.15486	100.0
198.15825	7.8
219.17535	0.5
233.19196	0.3
235.17058	0.5
251.48070	0.2
258.14294	0.3
261.14999	0.4
263.16415	1.7
264.16656	0.3
275.20148	0.3
317.21112	0.5
335.22321	2.3
336.22726	0.3
373.31326	0.7
389.30746	0.5
443.35321	0.7
489.36032	0.9
521.38525	2.6
522.38867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88949	0.5
57.03460	1.0
59.01386	2.5
61.98836	1.9
67.01884	1.1
70.35999	2.8
71.01399	1.6
76.45146	0.6
78.14249	0.6
78.95908	4.7
81.03469	0.8
83.05053	1.2
85.02966	9.1
87.00917	2.1
90.33958	0.6
93.03470	8.4
107.05079	0.9
109.02939	1.3
111.04531	3.8
111.66538	0.6
127.04036	2.1
129.01990	1.1
134.03752	2.8
137.02492	1.7
147.04546	1.6
148.05328	1.6
149.06113	13.9
150.06430	1.1
152.99637	6.1
155.03537	2.7
161.02521	1.3
169.15984	0.9
171.00627	0.6
171.03105	0.9
172.05345	10.0
173.04588	17.2
173.06097	7.3
174.03229	1.3
174.04842	0.8
175.04041	10.6
176.04836	4.1
185.06073	4.5
186.06921	1.4
189.05664	0.7
191.05650	100.0
192.05959	4.9
195.13901	1.3
197.15334	0.7
204.04327	1.2
283.16928	1.1
285.18619	79.4
286.18906	10.7
287.16434	0.9
293.21207	5.6
294.21350	0.7
303.19681	94.2
304.20035	12.4
329.17596	19.8
330.17960	2.9
347.18674	23.0
348.18744	3.3
394.79547	0.6
521.24622	19.1
522.24927	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	521.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01377	1.3
61.98837	0.6
67.01886	0.4
68.36555	0.2
71.01402	1.1
71.70531	0.3
78.95896	0.4
81.03431	0.2
83.05041	0.4
85.02962	8.8
86.03276	0.3
87.00884	2.1
93.03476	3.7
99.04503	0.3
109.02972	1.4
111.04529	1.1
113.02447	0.3
116.92860	0.4
125.02501	0.2
127.04039	2.1
134.06148	1.0
137.02492	0.4
146.06151	0.6
147.04558	0.4
149.06088	0.3
155.03481	0.5
161.02515	0.3
169.16010	0.4
171.02997	0.7
172.05374	1.4
173.04570	2.6
173.06094	6.8
174.03262	0.3
174.06445	0.6
175.04036	2.8
185.06148	0.3
191.05630	100.0
192.05966	4.2
196.16959	0.4
210.18678	0.5
235.06274	0.2
235.88255	0.2
285.18600	4.8
286.18967	0.5
303.19675	1.5
316.22766	2.0
329.17587	6.6
330.17911	0.8
337.64322	0.2
347.18573	0.7
347.77966	0.3
521.24237	1.2
522.26971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57923	1.7
57.07986	1.7
59.01387	2.3
61.91151	1.4
61.98821	3.9
70.53001	1.7
71.01373	9.0
78.95903	2.3
88.98815	3.8
93.03468	18.0
108.02203	1.7
109.02994	1.8
111.04539	2.8
114.59248	1.9
115.00393	13.5
119.05044	49.5
130.04272	2.1
131.05080	1.8
132.05875	2.0
135.04526	2.1
143.05022	3.2
147.04536	2.6
155.03688	1.9
159.04564	2.3
163.04031	18.7
171.04556	4.0
172.05238	3.1
173.04601	2.1
173.05995	3.1
185.06076	3.0
186.06802	1.8
191.05624	5.7
198.06927	2.0
199.07634	8.6
261.58151	1.5
264.07834	2.9
277.08859	2.1
279.10037	1.8
285.18478	2.1
292.11041	2.6
299.20032	1.8
311.20215	1.8
313.18158	3.6
317.08145	2.2
324.17203	3.1
325.18073	6.2
327.19604	4.0
339.19678	4.8
357.17078	27.3
358.17511	3.9
377.21127	4.7
405.20444	11.8
405.25171	20.4
406.20764	4.8
415.22934	2.0
417.21088	2.0
431.22189	4.5
433.23868	76.2
434.24222	15.1
459.21896	4.5
465.22858	50.7
466.23050	7.2
477.22665	9.5
486.74362	1.7
521.21802	100.0
522.22131	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	521.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41702	0.6
52.21779	0.5
53.56063	0.6
54.10684	0.5
58.69832	0.6
59.01388	1.2
60.99313	13.6
61.98834	5.9
65.11036	0.7
71.63412	1.4
77.18133	0.6
78.95908	3.2
83.07497	0.6
85.02968	0.9
88.98817	100.0
89.99152	1.3
93.03474	3.2
111.04541	1.3
135.03029	1.4
137.02480	0.7
152.99600	2.9
161.95856	0.6
173.04594	1.2
177.32901	0.6
187.51558	0.6
191.05629	6.8
211.10222	0.7
243.07909	0.7
272.09698	0.8
277.21960	0.7
293.17648	2.0
307.19028	1.4
321.17285	1.7
390.64273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.4
59.01373	2.5
60.99306	3.7
61.98820	1.4
65.33944	0.4
69.41261	4.3
71.01385	1.1
84.73859	0.5
85.02957	0.7
88.98817	22.3
89.02455	1.1
93.03469	1.2
99.04514	0.8
101.02467	0.9
109.02959	0.8
117.03509	0.7
121.02982	1.4
122.03766	0.6
123.04585	0.5
125.02467	0.7
134.03767	1.0
135.04567	2.2
137.02498	0.8
145.02950	1.6
146.03728	1.4
147.04520	1.4
148.05341	4.0
149.02458	0.6
149.06061	1.5
151.04117	0.5
158.03743	1.6
159.04515	3.7
160.05307	7.5
161.02473	0.8
161.06107	9.7
162.03239	5.0
162.06889	4.4
163.04024	4.9
171.04590	1.0
172.05321	45.8
173.04465	1.2
173.05891	4.4
174.03275	5.5
175.04092	2.3
175.07637	8.5
176.04718	0.8
176.08057	0.5
177.05585	4.2
178.06383	6.2
179.06834	0.7
180.04306	2.5
187.07668	53.9
188.08026	3.7
189.05545	3.4
190.06378	17.3
191.05595	1.7
191.07130	8.7
192.04253	1.4
192.07648	0.7
193.05045	6.2
194.05750	0.7
202.02742	1.1
203.07126	0.9
204.07918	1.6
205.08713	13.7
206.09087	1.2
207.06618	3.0
208.07448	0.8
210.05312	2.0
240.06395	0.8
275.07318	0.6
280.07608	0.6
281.08176	2.3
283.06042	1.9
284.10559	2.0
285.11090	0.5
293.08258	3.9
295.09698	0.7
296.10562	3.4
297.11334	0.7
299.12897	5.7
300.13290	0.7
307.09863	0.5
308.10620	2.1
311.05789	4.5
311.09311	1.4
311.12833	6.4
312.13245	0.8
313.10931	0.5
317.79669	0.5
323.12933	5.0
326.11752	1.1
329.13953	21.3
330.14435	2.7
341.13968	47.1
342.14267	5.5
357.01535	0.5
359.15024	100.0
360.15356	13.8
431.09903	6.7
432.10455	0.8
521.12933	1.7
521.19958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	21.6
59.01381	15.5
61.98833	100.0
62.71379	0.4
70.47910	1.5
71.01384	4.9
73.02961	2.9
83.01409	0.8
85.02979	1.4
89.02462	4.6
93.03487	1.1
95.01414	0.5
97.02953	0.4
99.04532	19.5
100.04902	0.5
101.02467	9.3
108.17219	0.4
113.02481	1.9
119.03551	1.4
123.04577	1.3
125.02461	7.6
125.03310	0.6
131.03485	0.4
143.03529	1.9
149.04587	1.8
161.04634	2.3
173.04616	1.2
179.05675	1.2
187.04099	0.5
191.05673	5.1
209.11938	1.3
216.80696	0.4
221.06744	0.5
283.13574	1.5
293.08887	1.1
317.32800	0.4
320.17792	0.5
327.16269	0.6
440.97012	0.5
457.20786	10.8
458.21115	2.3
504.21768	0.6
511.72162	1.0
520.22717	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	14.2
61.98802	0.3
66.43951	0.1
68.19612	0.2
69.79750	1.2
73.86554	0.1
88.98819	100.0
89.99136	1.4
98.20546	0.3
119.02346	0.2
152.03517	0.2
173.04480	0.3
191.05640	0.3
227.03606	0.5
255.03105	0.8
284.03348	0.9
285.04053	0.9
408.84549	0.2
431.09985	1.2
439.21771	0.2
521.33832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98834	1.4
65.31905	0.3
71.27995	0.3
71.62179	0.5
71.62502	0.5
73.02953	1.0
75.00917	0.4
78.95945	0.7
88.97254	0.4
93.03489	0.9
94.85437	0.3
95.57253	0.3
99.92591	8.2
100.92622	0.5
116.92881	100.0
117.01955	2.1
117.92097	0.4
117.92896	5.9
135.03032	1.3
152.99571	0.4
162.65479	0.4
173.04582	0.5
181.15880	0.5
197.63756	0.3
234.99786	0.4
249.14893	0.3
265.14423	1.7
267.87961	0.3
279.15945	0.8
515.70551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
57.03457	0.4
59.01373	2.5
60.99306	3.7
61.98820	1.4
65.33944	0.4
69.41261	4.3
71.01385	1.1
84.73859	0.5
85.02957	0.7
88.98817	22.3
89.02455	1.1
93.03469	1.2
99.04514	0.8
101.02467	0.9
109.02959	0.8
117.03509	0.7
121.02982	1.4
122.03766	0.6
123.04585	0.5
125.02467	0.7
134.03767	1.0
135.04567	2.2
137.02498	0.8
145.02950	1.6
146.03728	1.4
147.04520	1.4
148.05341	4.0
149.02458	0.6
149.06061	1.5
151.04117	0.5
158.03743	1.6
159.04515	3.7
160.05307	7.5
161.02473	0.8
161.06107	9.7
162.03239	5.0
162.06889	4.4
163.04024	4.9
171.04590	1.0
172.05321	45.8
173.04465	1.2
173.05891	4.4
174.03275	5.5
175.04092	2.3
175.07637	8.5
176.04718	0.8
176.08057	0.5
177.05585	4.2
178.06383	6.2
179.06834	0.7
180.04306	2.5
187.07668	53.9
188.08026	3.7
189.05545	3.4
190.06378	17.3
191.05595	1.7
191.07130	8.7
192.04253	1.4
192.07648	0.7
193.05045	6.2
194.05750	0.7
202.02742	1.1
203.07126	0.9
204.07918	1.6
205.08713	13.7
206.09087	1.2
207.06618	3.0
208.07448	0.8
210.05312	2.0
240.06395	0.8
275.07318	0.6
280.07608	0.6
281.08176	2.3
283.06042	1.9
284.10559	2.0
285.11090	0.5
293.08258	3.9
295.09698	0.7
296.10562	3.4
297.11334	0.7
299.12897	5.7
300.13290	0.7
307.09863	0.5
308.10620	2.1
311.05789	4.5
311.09311	1.4
311.12833	6.4
312.13245	0.8
313.10931	0.5
317.79669	0.5
323.12933	5.0
326.11752	1.1
329.13953	21.3
330.14435	2.7
341.13968	47.1
342.14267	5.5
357.01535	0.5
359.15024	100.0
360.15356	13.8
431.09903	6.7
432.10455	0.8
521.12933	1.7
521.19958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07613	29.1
59.01369	100.0
61.98822	99.5
71.71298	39.8
74.63940	35.0
75.61181	34.4
122.41179	36.5
129.62105	33.2
152.99600	41.7
155.03667	34.9
173.04636	47.4
191.05600	37.6
272.99124	38.4
490.05844	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28954	0.4
57.03451	0.6
59.01382	3.2
59.17752	0.4
61.98823	1.2
63.02387	1.0
65.00311	2.0
69.79948	1.4
69.80355	1.4
71.01378	1.5
83.01370	1.1
89.02459	1.7
91.01891	0.6
93.03455	1.1
99.04517	0.9
101.02465	0.9
107.01408	3.2
108.02172	1.0
109.02954	2.6
110.03465	0.4
113.02428	0.6
119.01413	0.4
119.03491	0.5
119.77858	0.4
121.02952	3.8
125.02502	0.8
133.02977	0.5
135.00893	0.6
135.04474	0.5
137.02480	0.4
148.01672	1.2
151.00395	15.7
152.00844	0.6
154.91237	0.4
161.02495	0.8
163.00386	3.0
164.01100	0.8
169.01439	0.5
170.03799	0.5
171.04625	0.4
173.04512	0.9
178.99890	7.8
179.03491	0.7
180.00285	0.4
183.04509	0.9
187.03999	0.9
191.05586	0.8
199.04015	1.3
201.05656	1.1
203.03604	0.5
211.03996	1.7
212.04538	0.5
226.02718	1.1
227.03505	3.4
228.03993	0.5
229.05080	1.1
243.02992	9.1
244.03349	0.8
245.04562	2.5
254.02127	2.0
255.02985	25.8
256.03448	2.5
257.04367	0.6
263.07120	0.5
271.02472	42.9
272.02884	5.2
273.04117	2.0
281.08228	0.6
283.02530	2.3
284.02991	0.5
299.02072	1.0
300.02768	79.2
301.03510	63.9
302.03912	5.2
309.07745	1.3
324.10074	0.9
339.12439	1.4
373.97214	0.4
447.09344	100.0
448.09622	14.9
448.15869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72924	0.4
57.03450	0.6
59.01385	3.8
61.98832	1.2
66.08913	0.4
67.01920	0.4
69.31681	0.4
69.99886	1.9
71.01377	2.2
72.08704	0.4
72.97542	0.9
73.02964	0.7
75.00872	1.5
77.03939	0.4
83.01443	0.5
85.02978	2.0
87.00888	1.5
88.42764	0.4
89.02463	1.6
93.03481	3.5
96.96003	0.5
97.02952	0.4
98.20598	0.5
99.04581	0.4
101.02456	1.9
106.31741	0.4
107.15165	0.4
109.03006	2.3
111.04546	0.9
113.02464	1.1
119.03545	1.1
119.05051	0.6
121.02979	76.5
122.03328	3.6
125.02479	1.6
135.04549	4.1
137.02478	1.0
143.03595	0.7
144.80847	0.4
147.04588	0.5
155.03500	0.6
158.41708	0.4
159.04478	0.7
161.02460	0.6
161.04564	1.4
163.04066	1.0
165.01961	100.0
166.02304	5.6
168.75420	0.4
168.99574	0.5
173.04593	7.5
174.04921	0.5
179.03513	3.2
179.05669	1.5
189.02121	0.5
190.02809	0.6
191.03592	2.0
191.05632	13.3
192.06044	0.9
201.22697	0.5
223.91957	0.4
269.08148	2.5
297.13492	3.5
313.07239	4.0
323.09793	0.6
341.10953	4.3
341.60355	0.4
345.09442	0.6
345.79996	0.5
353.08783	5.1
354.09213	0.6
519.14166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12693	1.0
57.03432	2.9
58.00598	2.2
59.01378	77.1
59.58270	1.0
60.01701	1.3
61.98820	9.3
69.03453	5.2
71.01385	74.8
71.71453	1.2
72.99303	3.5
73.02952	16.5
75.00866	1.6
81.03471	3.1
83.01391	4.3
85.02959	10.9
87.00897	2.6
87.57420	1.2
88.98837	5.0
89.02453	100.0
90.02771	1.9
93.03466	3.7
95.01383	2.7
97.02959	9.2
99.00893	19.5
99.04514	2.3
101.02460	32.0
108.02191	2.9
109.02999	7.5
111.00909	1.6
113.02453	11.2
115.04018	5.0
116.92825	2.1
119.03507	4.1
121.02960	2.0
125.02464	41.4
127.03961	1.8
131.03529	16.9
134.00130	1.1
135.04576	2.1
137.02440	2.0
142.23154	1.2
143.03488	4.7
145.02957	1.1
148.09177	1.2
149.04573	58.0
150.04866	1.2
152.01173	1.5
159.04482	1.5
161.02449	1.7
161.04517	2.8
165.01910	4.0
165.09222	30.5
166.09486	1.5
173.04535	5.9
173.05960	2.1
179.03487	1.7
191.05617	24.3
199.04051	2.6
207.10281	5.8
213.05539	2.4
215.03360	1.3
221.06720	2.1
227.03481	1.3
229.01613	1.1
233.06651	19.1
237.11325	3.2
240.04286	1.4
241.11964	1.0
243.02908	3.3
253.97043	1.1
261.03900	1.6
271.02478	19.0
272.02765	1.6
275.07697	3.8
279.06454	2.8
281.04263	1.3
283.13284	1.2
285.03732	1.3
293.08789	64.0
294.09088	4.6
299.02014	26.7
300.02621	5.4
311.09894	1.5
314.04343	24.5
315.05017	15.4
316.05573	1.6
338.69302	1.2
431.11401	5.4
490.64862	1.1
519.11047	28.3
519.31464	2.5
520.11578	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	518.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.7
61.98823	1.8
62.96421	0.4
64.26380	0.3
64.67652	0.3
71.70438	0.3
72.39783	0.3
78.95915	43.0
80.05914	0.3
95.31310	0.3
96.96988	6.2
108.21801	0.3
116.60163	0.3
125.02300	0.3
150.98050	1.2
152.99617	100.0
153.99950	1.7
171.00668	4.0
173.04520	0.6
191.05690	0.4
267.45404	0.4
277.21643	0.9
431.22089	24.7
432.22455	3.0
518.25250	6.0
519.26001	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
59.01379	3.8
59.72385	0.4
61.98834	2.2
63.02383	0.9
65.00311	1.7
71.01368	1.3
71.62772	0.3
71.71507	0.6
81.03478	0.5
82.95414	0.4
83.01379	0.9
85.02940	0.7
88.98809	1.2
89.02471	0.8
93.03452	1.8
99.04521	1.2
101.02449	0.9
107.01393	4.5
108.02191	1.6
109.02979	3.5
116.92853	0.8
119.01374	0.4
121.02971	4.1
123.04498	0.7
125.02489	1.8
135.00900	0.8
135.04517	1.4
136.01675	2.8
137.02429	0.8
148.01653	1.3
149.02469	0.5
150.99171	0.8
151.00395	15.7
151.04007	4.5
152.00894	0.6
159.04610	0.6
161.02460	0.7
161.04500	0.5
163.00407	4.3
164.01192	1.1
165.01849	0.4
169.01427	1.0
173.04539	1.7
173.05861	0.4
177.01903	0.5
178.99879	7.9
179.03511	0.6
183.04417	0.5
187.03926	0.9
191.00015	0.6
191.05643	1.9
193.01309	0.5
199.03978	0.9
201.05638	1.0
203.03441	0.4
211.03935	1.8
213.05627	0.4
225.75575	0.4
226.02725	1.5
227.03502	2.7
229.05042	1.0
239.03363	0.6
240.10300	0.6
243.02972	7.9
244.03387	1.2
245.04504	2.5
254.02245	2.0
255.02986	25.9
256.03323	2.2
266.02335	0.5
271.02463	45.0
272.02921	5.3
272.09106	0.5
273.03885	2.2
283.02478	2.4
284.03192	0.7
299.01950	0.8
300.02756	84.2
301.03494	69.5
301.07166	0.6
302.03873	6.4
343.04333	0.5
357.13541	4.3
358.13882	0.5
366.03613	0.9
447.09338	100.0
448.09665	13.9
475.09311	0.8
519.11560	0.5
520.15021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19518	1.0
57.03463	1.3
59.01372	3.7
69.03465	15.3
70.22111	4.6
71.01378	2.5
71.05025	1.3
72.99328	2.0
75.00882	28.8
80.76173	1.1
82.02986	1.7
89.02445	3.6
91.05553	2.4
94.03006	1.5
99.00890	1.8
116.05071	10.4
117.01977	1.9
118.06660	19.6
119.05013	1.3
124.00478	2.0
125.02509	1.2
135.03023	49.2
137.02440	2.0
142.06645	3.7
142.99911	1.3
147.04533	2.7
151.11237	1.0
153.12907	4.6
161.65642	1.1
169.16014	2.5
170.15549	1.4
171.13922	4.9
172.07706	1.2
174.05638	17.7
179.14444	3.6
181.16005	6.7
184.07722	7.5
186.05620	1.7
190.05135	4.0
193.16010	22.7
194.16360	2.3
195.13921	2.7
202.08772	9.5
211.17073	4.3
214.80392	1.1
220.06102	1.2
220.17035	9.5
221.17448	1.5
224.16670	1.2
234.14857	1.1
235.15767	3.9
236.16524	3.1
237.15041	1.7
240.06602	1.0
241.07487	2.6
242.08234	3.6
248.16560	1.1
252.16068	8.2
253.16586	1.8
263.15244	2.3
264.16003	6.3
280.15521	21.3
281.15710	2.3
287.64282	1.1
310.21695	3.5
312.19855	1.5
312.23370	17.5
313.23788	1.8
326.21259	1.2
328.22778	1.2
338.21262	71.9
339.21646	11.6
344.22375	4.1
345.22739	1.5
352.22852	1.2
354.20786	7.9
356.22333	100.0
357.22720	16.5
370.24048	1.4
384.21869	9.3
396.21799	5.8
397.21927	1.3
398.19995	2.3
400.16104	2.2
400.21344	40.8
401.21579	8.3
428.20688	1.6
431.96796	1.0
456.23883	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	518.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.2
61.98832	7.6
69.03467	4.0
71.01388	50.1
71.70538	1.9
72.00912	6.2
72.01720	1.0
72.99305	5.5
73.02966	1.6
74.02477	2.7
75.00880	58.3
82.03007	3.2
83.01410	2.6
84.04550	1.0
85.02956	7.1
86.02499	1.2
87.00876	6.7
88.04050	4.4
89.02461	4.7
93.03497	2.4
94.02998	2.4
96.00913	7.3
96.04568	1.5
97.02956	1.2
98.02496	26.1
99.00912	2.4
100.04049	2.1
101.02451	1.7
102.02064	1.2
108.04573	1.7
109.02984	1.2
110.02533	2.0
111.00923	1.7
112.00403	3.7
112.04034	2.8
114.02007	5.7
114.05622	1.1
115.00393	100.0
116.00726	2.2
116.03552	4.1
117.01991	4.0
121.02966	1.0
122.06114	1.4
124.04074	2.6
126.02039	4.6
128.03555	1.2
129.01976	1.6
130.01480	1.8
130.99886	1.1
132.03052	5.7
135.03023	61.5
136.03325	1.6
137.02516	1.1
138.01968	2.4
140.03525	6.8
142.99872	3.3
144.03047	6.8
146.04617	4.2
153.12816	2.6
158.00977	2.2
161.02475	2.0
168.03044	2.7
169.16005	3.2
170.04608	12.9
171.13928	2.8
173.00925	2.7
173.04576	3.7
174.04167	1.8
175.02592	1.6
179.14468	1.8
181.15977	4.4
184.02489	1.9
184.06226	1.0
189.47054	0.9
191.05577	5.9
193.16005	1.2
194.15382	0.9
195.13875	2.2
195.17583	1.2
196.17090	32.6
197.15529	1.7
197.17372	2.4
205.30891	1.0
209.15437	1.3
212.02063	3.2
218.19206	1.2
220.17018	1.4
221.15520	2.9
224.16582	4.0
232.17078	1.8
234.01816	1.6
234.14943	1.2
235.02107	1.7
236.16637	5.9
239.16519	1.7
244.04660	2.9
246.02576	3.6
248.16664	5.1
250.14488	66.4
250.18329	2.3
251.14874	7.8
252.16048	27.1
252.18819	1.3
253.16437	2.3
262.14569	1.9
262.18011	2.1
264.15979	1.7
266.17520	6.2
268.19202	9.0
271.15558	1.4
274.14484	3.6
278.17734	5.5
279.17886	1.3
280.15555	39.3
281.15948	4.4
288.03674	1.1
290.17627	2.0
292.15421	5.7
294.17169	2.3
301.18079	3.6
302.17462	1.3
306.04730	3.2
306.17307	1.4
308.18570	2.7
310.16702	2.7
312.18195	34.2
313.18478	3.7
320.18686	2.1
322.16568	5.7
323.17413	5.2
324.18134	25.2
325.18509	3.0
334.16611	1.4
338.19778	5.4
346.16669	1.6
350.16052	7.6
352.17639	3.3
354.91885	1.1
364.17715	2.6
366.15585	46.6
367.15848	5.3
368.17313	10.5
370.18820	1.4
380.20612	4.9
382.18707	8.3
383.18872	1.4
396.20529	1.2
398.18155	5.3
400.19748	11.3
401.20026	1.2
424.20020	2.0
426.17813	9.1
427.18115	2.3
427.23926	0.9
440.19260	4.8
458.20322	48.6
459.20584	7.8
468.18732	1.5
475.09225	1.1
486.19876	16.8
487.19955	2.0
500.21164	3.0
518.22394	68.2
519.22809	11.2
525.06818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07869	0.2
64.25625	0.2
65.03957	0.2
71.27938	0.2
71.28284	0.3
73.02982	0.5
83.05054	0.5
89.04015	0.3
93.03469	3.3
98.19715	0.2
107.05036	0.6
108.02210	0.3
109.02950	0.4
111.04515	0.8
117.03500	1.3
121.02985	0.3
132.02177	1.4
133.02985	3.9
134.03760	8.6
135.04549	33.0
136.04889	1.6
137.02457	2.2
139.04008	0.3
148.01636	0.3
148.05330	1.0
149.02458	1.5
150.03230	2.0
155.03548	0.4
158.03780	0.3
160.01707	0.5
161.02484	3.9
162.03246	1.0
163.04016	0.8
173.04584	0.3
174.03276	0.4
174.06830	0.2
175.04056	0.4
176.04755	0.4
177.05609	0.3
178.02708	0.5
179.03516	14.0
180.03896	0.9
189.05550	0.2
190.02722	0.3
190.06374	0.5
192.04271	0.2
193.01454	0.8
194.02238	0.4
199.07808	0.2
200.04787	0.5
200.08064	0.2
207.02975	0.4
235.02539	0.2
236.03244	1.0
271.17056	0.9
273.18497	1.0
287.16513	3.0
288.17081	0.4
289.18100	26.1
290.18436	2.9
299.16635	1.3
309.40182	0.2
315.16006	2.2
317.17603	5.5
318.17920	0.7
333.17090	13.7
334.17435	2.0
335.07538	0.3
343.15518	8.3
344.15790	1.2
361.16586	39.4
362.16867	5.3
363.18295	0.4
489.21469	0.4
517.20801	100.0
518.21118	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	517.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30963	0.8
55.01870	1.1
57.03448	72.5
58.00581	2.1
58.03772	1.4
59.01383	62.4
59.17405	0.7
61.98834	7.6
62.01433	0.8
63.73008	0.8
70.87588	2.9
71.01386	43.5
72.99300	2.7
73.02949	27.3
78.95914	0.8
79.05530	1.0
81.03462	1.8
83.01397	11.0
85.02962	8.8
87.00886	1.9
87.04451	0.8
89.02454	25.5
93.03473	1.6
95.01385	1.5
97.06595	2.2
99.00887	1.7
99.04528	16.1
101.02457	58.6
102.02808	1.5
113.02467	15.5
113.06087	3.0
119.03513	12.3
123.04556	8.2
125.02468	7.9
131.03537	1.8
135.04507	1.2
137.02481	2.3
141.05582	3.1
143.03516	1.6
145.02957	0.9
149.04564	2.4
153.05608	1.2
155.03488	1.7
161.04559	4.7
161.05872	0.8
173.04553	2.3
179.05612	2.6
191.05655	4.8
193.12344	9.0
194.12532	1.1
211.13443	1.5
221.06689	1.0
272.09201	1.8
286.95233	0.8
355.17706	3.8
373.18689	100.0
374.19031	13.6
415.19724	48.3
416.20105	7.4
455.22855	12.6
456.23425	1.8
517.22858	30.8
517.29926	2.5
518.23242	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	517.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.9
61.98816	2.4
71.69708	1.3
71.70086	1.2
73.02950	4.1
81.03468	1.3
82.88065	0.9
83.05038	4.6
85.02965	1.5
93.03474	25.5
99.04562	1.2
104.45569	0.9
108.02177	2.0
109.02930	2.2
111.04553	8.5
116.92859	1.3
117.03496	1.7
121.02975	0.9
121.83200	0.9
127.23795	0.8
132.02162	7.4
133.02908	2.0
134.03777	2.5
135.04538	15.7
137.02475	9.4
145.02983	11.4
146.03741	1.7
147.04543	1.9
153.01938	1.1
155.03531	7.3
158.03738	1.5
159.04538	7.3
160.01717	5.6
161.02478	18.6
162.03218	4.0
162.89325	1.7
163.04051	7.7
172.05341	6.7
173.04565	5.2
173.05902	1.2
174.03236	6.2
175.04045	2.3
176.01158	2.7
179.03482	6.1
187.04031	14.6
188.01207	4.9
188.04584	2.2
189.01955	22.5
190.02759	16.4
191.03326	2.5
191.05542	1.2
196.05270	1.4
199.04080	1.9
200.04839	8.4
201.05557	3.5
202.06323	1.1
203.03502	2.2
204.04306	9.1
207.02954	2.2
213.05612	2.4
214.06313	7.9
215.03603	2.1
216.04269	3.9
217.05074	2.5
218.05852	8.1
226.02654	1.2
227.07130	1.1
230.05969	2.2
231.06523	1.9
234.01709	3.5
235.02492	3.3
236.03386	1.4
246.39357	1.0
257.15616	1.3
271.17041	8.1
273.14969	14.3
274.15390	1.6
281.15518	1.0
283.13364	2.1
285.14777	1.6
287.16415	1.1
289.18088	17.5
290.18472	2.1
297.24826	1.1
299.16574	50.5
300.16840	7.3
301.14471	55.9
302.15018	10.6
303.16034	1.6
315.16116	4.8
316.16776	2.2
317.17606	100.0
318.17850	11.7
325.14441	5.2
333.17056	4.2
338.21143	1.0
343.15549	20.5
344.15948	2.7
345.06168	3.4
356.22195	2.8
361.16556	30.5
362.16962	4.7
363.07190	3.9
390.06003	4.1
404.07321	1.0
486.38660	1.0
499.19907	3.5
509.16745	1.5
517.20770	64.9
518.21033	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	515.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37210	0.8
55.01887	1.6
57.03450	62.0
58.03784	1.4
59.01383	100.0
60.01704	2.1
61.98835	9.6
62.58896	0.9
69.03448	0.9
69.57125	2.3
69.57546	5.4
71.01383	19.9
72.99333	1.0
73.02958	5.3
78.95926	1.4
81.03477	2.2
83.01412	5.4
85.02956	9.3
87.00916	1.5
88.98824	3.0
89.02443	6.2
93.03463	4.6
95.01396	1.4
96.96041	0.8
99.00915	2.4
99.04535	88.8
100.04887	2.7
101.02461	25.3
108.02171	1.1
109.02975	1.9
113.02480	9.8
115.92107	0.9
119.03501	1.2
123.04568	8.2
125.02470	39.2
126.02791	1.8
135.04556	4.2
137.02483	2.4
143.03514	3.0
152.01140	1.5
159.03038	1.0
161.02538	0.9
161.04610	4.3
161.08240	6.4
173.04558	6.0
177.01973	1.6
179.03522	3.5
189.47076	0.8
190.95126	0.8
191.03821	1.2
191.05579	7.1
209.15538	2.9
252.46283	0.8
316.64410	0.8
341.06668	0.8
342.06873	1.0
353.08829	2.7
353.19669	4.9
371.20749	22.1
372.21173	2.9
413.21805	8.2
414.21951	1.3
435.09070	1.7
453.24911	2.0
515.12500	1.6
515.24011	7.2
516.24969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.7
57.51215	0.3
59.01379	9.6
60.99310	14.9
61.98839	4.9
66.91400	0.4
71.01391	3.8
71.05048	0.5
71.71561	0.8
72.99329	0.4
73.02953	1.1
75.00885	0.4
81.03460	0.5
83.01392	0.9
85.02962	1.7
85.68519	0.4
87.00883	1.0
88.98818	100.0
89.02448	2.3
89.99155	1.1
93.03465	1.6
96.96039	0.7
99.00861	0.6
99.04533	4.2
101.02456	2.9
109.02933	0.6
111.04477	0.6
113.02473	1.1
115.92054	0.4
116.92863	1.6
119.03519	0.7
121.02954	0.4
125.02459	2.1
127.04014	0.5
128.03569	0.4
133.03009	0.9
133.05083	1.6
134.03751	1.3
134.59048	0.4
135.04547	8.0
137.02463	0.7
149.04567	0.8
149.06085	0.4
159.41675	0.4
161.02470	2.6
161.04565	0.9
163.04016	0.8
163.27014	0.4
173.04591	2.7
175.04056	0.6
176.01225	0.6
177.01929	0.7
178.02733	0.5
178.06308	0.9
179.03531	7.1
180.03915	0.5
180.65752	0.4
191.05623	7.3
193.05083	0.6
193.08694	1.0
233.06732	0.5
244.57390	0.4
258.68964	0.4
293.08719	0.7
307.11731	0.5
323.07593	0.5
402.15585	0.5
427.16174	1.3
428.16223	0.4
517.13446	1.3
517.30255	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	515.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03450	72.3
58.00593	0.5
58.03782	1.6
59.01380	100.0
60.01719	0.8
61.98838	3.5
67.01894	0.4
71.00986	0.9
71.01386	17.7
72.99321	1.1
73.02952	6.0
78.95921	1.5
81.03458	2.4
83.01389	3.7
85.02955	8.4
87.00900	1.2
89.02455	5.5
93.03455	2.4
95.01407	1.5
96.96981	0.8
97.02966	0.9
99.00883	2.5
99.04532	89.0
100.04863	2.9
101.02457	28.3
102.02788	0.9
107.05056	0.4
109.02950	0.4
111.00883	0.5
113.02453	8.3
116.44375	0.3
116.92842	0.5
119.03553	2.0
123.04504	0.5
125.02466	38.2
126.02771	1.5
129.01842	0.4
130.96512	0.4
131.03540	0.5
134.37624	0.3
135.04521	1.4
137.02448	3.5
143.03528	2.5
149.04541	0.6
159.02963	1.1
161.02464	0.5
161.04588	4.9
173.04591	2.9
177.01964	0.7
177.05603	2.1
179.03476	1.4
179.05592	0.7
191.05669	2.1
209.15475	2.0
253.04437	0.7
254.17557	0.4
327.35031	0.5
353.08740	1.4
353.19693	4.6
354.19949	0.7
371.20749	22.1
372.21103	3.2
413.21756	6.3
414.22018	1.1
453.24402	0.8
471.25720	0.8
515.24561	6.8
516.25195	1.5
527.21893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.25
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
57.03452	100.0
58.03769	1.5
59.01383	98.0
59.79612	0.9
61.98835	1.1
69.50650	1.0
71.01393	23.1
73.02973	6.0
81.03477	1.9
83.01410	3.7
85.02966	11.1
89.02461	6.7
91.78661	1.0
93.03448	1.1
95.01402	2.2
96.96026	1.4
99.00932	1.4
99.04536	97.2
100.04872	3.8
101.02464	31.8
113.02464	9.9
119.03497	2.9
122.68730	0.9
125.02467	37.8
135.04576	1.0
143.03548	4.4
155.80321	0.9
161.04590	7.8
173.04594	1.4
179.03551	0.9
179.05609	4.5
180.74026	0.9
191.05632	1.6
209.15608	1.3
263.40009	0.9
371.20721	9.1
413.22003	5.1
424.87204	0.9
453.24832	1.7
515.25079	9.4
516.24792	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.9
57.03452	2.2
58.00612	0.5
59.01381	15.5
61.98828	1.0
67.01899	1.2
69.03451	1.1
71.01391	13.8
71.05028	1.0
71.70861	0.5
72.99307	1.2
73.02958	6.7
74.02473	0.4
75.00874	0.6
81.03471	5.4
83.01395	52.2
83.05033	1.8
84.01736	1.6
85.02959	6.5
85.03448	0.6
87.00878	2.3
87.04530	7.2
88.98811	0.7
89.02456	8.2
93.03471	14.8
94.03786	0.6
95.01398	1.2
96.96027	1.3
97.02978	3.8
99.00888	10.6
99.04538	6.6
101.02457	48.1
102.02805	1.7
103.79515	0.5
108.02184	2.4
109.02970	30.2
110.03300	1.8
111.00914	0.9
111.04537	6.2
113.02461	5.0
115.04009	1.4
117.03501	0.7
119.03510	3.0
119.04971	0.7
121.02927	0.8
123.04571	1.1
125.02470	11.5
126.02776	0.5
127.00396	25.6
127.04033	0.9
128.00731	0.7
130.92525	0.4
133.02997	1.6
135.04541	14.9
136.04877	1.1
137.02486	2.5
143.03494	3.5
143.05067	1.1
145.02965	12.3
145.04941	0.5
146.03607	0.9
146.08226	0.4
147.04541	2.0
149.06119	1.5
151.04021	2.1
152.01169	1.9
153.01935	1.7
155.03511	4.3
159.04527	2.3
161.02460	9.4
161.04697	0.6
161.06096	11.0
162.02817	0.9
162.06375	0.7
163.04070	1.0
164.07199	0.6
173.04568	23.9
174.04897	1.7
175.04045	1.8
177.01836	0.6
179.02042	0.8
179.03519	10.7
179.05583	1.1
180.03856	0.6
185.04570	1.3
187.03990	4.7
188.07185	3.4
191.05624	22.0
192.06073	0.5
205.05031	1.2
209.06111	0.5
219.03006	0.5
222.06425	0.4
225.05740	0.8
225.08206	0.6
227.07185	0.8
231.02977	0.7
237.05563	1.7
239.03505	1.3
240.04265	1.9
242.05792	1.5
243.06584	0.6
251.07138	1.1
253.05087	2.9
253.08455	0.9
254.05531	0.7
255.06595	5.7
256.07013	0.8
266.30856	0.5
266.92206	0.5
267.06631	0.7
268.07095	0.9
269.07715	1.0
271.09753	3.5
279.03204	1.0
279.06625	2.1
280.03500	0.7
281.04541	10.7
282.05029	1.6
295.06116	2.0
296.06540	0.6
297.07660	10.0
298.07971	1.4
323.05444	2.4
330.19092	0.5
335.07849	0.7
339.05032	2.9
340.05435	4.1
341.06589	39.5
342.06952	4.6
359.07858	1.0
515.11890	30.9
515.21326	100.0
516.11951	4.5
516.22516	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	515.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
55.98919	0.4
57.03450	98.1
58.03782	1.8
59.01381	97.3
60.01715	0.8
60.29229	0.6
61.98835	3.9
67.01892	1.0
67.34104	0.5
69.03456	0.7
69.79876	3.7
71.01387	23.5
73.02946	6.8
76.12957	0.5
81.03484	2.0
83.01392	3.3
83.05067	0.5
85.02960	10.6
87.00897	1.3
88.98832	0.5
89.02457	7.9
93.03474	3.9
95.01402	2.1
99.00892	2.2
99.04533	100.0
100.04868	2.1
101.02460	30.4
102.02784	0.6
109.02980	1.5
111.04515	1.2
113.02468	9.0
116.92874	1.4
119.03524	3.2
123.04555	0.7
125.02467	36.2
126.02757	0.9
127.03962	0.6
129.02043	0.5
129.87888	0.5
131.03439	0.5
133.02928	1.0
134.03720	1.0
135.04541	12.3
136.04848	0.6
137.02452	1.6
143.03543	3.4
149.04491	0.6
149.99602	0.8
155.03464	0.6
159.02982	1.1
161.02509	2.5
161.04559	7.9
162.05006	0.5
168.00647	1.0
173.04575	9.4
174.04919	0.9
179.03477	9.3
179.05580	4.6
180.03831	1.2
191.03972	0.9
191.05643	16.8
192.05930	0.9
193.45996	0.5
203.05624	1.1
209.08246	0.6
209.15314	0.7
266.25275	0.5
271.02496	0.5
300.02527	0.9
323.05728	1.0
335.07596	1.1
353.08795	15.7
354.09006	1.1
371.20810	7.7
372.21112	0.9
402.64673	0.5
413.21890	3.9
433.07623	1.2
452.16260	0.6
453.24615	0.9
471.25934	0.7
515.11603	1.1
515.17731	1.5
515.24725	10.4
516.24976	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	515.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15396	0.7
55.01868	1.8
57.03444	1.7
58.00589	1.4
59.01381	30.5
60.01689	0.6
65.03967	1.4
67.01912	0.6
67.23064	0.6
69.45915	0.6
69.89080	4.4
71.01389	26.1
72.99319	1.9
73.02953	20.3
78.95913	7.2
81.03464	1.7
83.01398	0.9
83.05033	7.5
85.02963	7.1
87.00884	1.9
88.98803	0.7
89.02454	29.4
90.02814	0.8
90.77208	0.6
93.03474	49.6
94.03775	1.6
95.01392	1.4
96.96977	18.4
98.20630	0.8
99.00895	7.5
99.04534	6.1
101.02463	12.7
109.02967	1.6
111.00904	0.7
111.04536	22.5
112.04900	0.6
112.98836	4.0
113.02450	11.1
119.03516	10.7
129.01973	3.6
131.03539	2.0
135.04564	6.0
137.02475	15.9
138.02794	0.8
142.99889	4.0
143.03539	6.7
149.04614	0.9
155.03529	11.8
161.02438	0.6
161.04535	3.4
170.90300	1.4
172.89963	17.2
173.00984	3.0
173.04572	100.0
174.04939	4.6
179.03543	6.1
179.05630	15.7
191.05597	4.2
210.77342	0.7
340.05325	0.7
341.10931	96.3
342.11340	7.4
353.08511	0.7
379.08255	1.9
513.74585	0.7
514.40900	0.7
515.15948	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	515.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01912	0.8
57.03448	1.7
58.00588	1.1
59.01383	33.4
69.03455	1.4
70.27213	2.8
70.64238	0.7
71.01391	30.6
71.05040	0.9
72.53349	0.7
72.99307	1.2
73.02957	22.0
78.95921	2.5
81.03479	2.1
83.01393	1.1
83.05031	7.1
85.02959	7.6
87.00896	3.1
88.49863	0.7
89.02458	32.6
93.03473	55.7
94.03821	2.2
95.01392	1.4
96.96981	5.4
99.00893	8.9
99.04515	7.4
101.02457	13.8
101.03088	1.1
109.03009	1.0
111.00885	1.4
111.04536	24.2
112.04875	1.5
112.98836	5.1
113.02466	11.8
117.29061	0.7
119.03509	9.9
125.02514	0.9
129.01990	4.0
131.03526	2.0
135.03580	0.7
135.04564	3.3
137.02464	14.9
142.99878	5.0
143.03525	6.3
145.04947	0.7
155.03534	10.1
161.04584	4.4
172.89940	5.4
173.01004	2.6
173.04573	100.0
174.04913	4.2
179.03616	3.0
179.05647	16.2
191.05659	3.4
285.46481	0.9
339.05420	1.1
340.05243	0.9
341.10919	96.7
342.11304	9.2
491.49402	0.8
515.15594	1.2
535.13245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37248	0.2
50.80636	0.3
52.65426	0.3
57.03431	0.9
59.01382	1.6
60.99299	0.9
67.01894	4.6
69.03464	1.0
70.05324	0.7
70.05742	1.1
71.01389	3.2
72.99313	0.3
73.89716	0.3
79.05583	0.3
81.03462	0.9
83.05031	1.0
85.02956	1.1
87.00880	0.5
87.50214	0.3
88.98804	1.7
89.02472	0.5
93.03472	27.6
94.03799	0.9
96.29060	0.2
99.04527	0.3
101.21896	0.3
107.05076	0.4
108.02151	0.4
109.02961	1.8
111.00903	1.3
111.04538	5.2
112.04918	0.3
113.02514	0.3
115.03996	0.3
123.00900	0.3
127.04019	0.5
133.02948	0.4
134.03735	1.0
135.04550	43.1
136.04858	2.5
137.02467	5.2
138.02811	0.4
145.02965	0.7
152.01108	0.4
153.01970	0.4
155.03534	5.2
161.02483	1.7
161.05986	0.4
173.04578	100.0
174.04910	4.7
175.06247	0.3
179.03520	57.8
180.03841	3.2
182.02248	0.7
185.71359	0.3
191.05638	8.5
192.05992	0.4
197.04587	1.4
198.15811	0.3
243.06119	0.4
251.54112	0.3
281.04465	0.4
295.06641	0.3
297.07721	0.5
315.07379	0.6
335.07819	0.4
341.08862	15.0
342.09128	0.8
353.04407	0.6
353.08771	11.7
354.09152	1.5
381.16452	0.3
451.73712	0.4
474.92844	0.3
515.14117	13.4
516.14374	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80018	0.4
51.52701	0.4
57.03433	0.7
59.01381	1.6
66.04340	0.4
66.70641	0.4
67.01897	4.4
69.03450	0.9
71.01386	3.5
71.39807	0.9
77.45156	0.4
83.01382	0.4
83.05042	0.7
85.02964	3.6
87.00893	1.8
93.03475	26.8
94.03822	1.5
95.01365	0.6
96.96008	0.5
107.05009	0.6
109.02969	5.0
109.12822	0.5
111.00883	1.6
111.04535	5.8
111.94084	0.4
113.02531	0.8
119.05047	0.8
127.04010	0.7
133.02951	1.2
134.03766	1.4
135.04550	81.5
136.04874	4.7
137.02461	5.5
138.02861	0.5
145.03006	1.4
149.06099	0.9
155.03532	5.1
159.04526	1.0
161.01079	0.8
161.02444	6.8
161.04665	0.5
161.06131	1.1
163.04095	0.7
169.40004	0.5
169.56294	0.4
173.04581	63.0
174.04919	3.0
178.02742	0.5
179.03520	100.0
180.03859	6.6
182.94910	0.4
191.05635	24.7
192.05965	1.1
194.47670	0.5
225.05121	0.7
240.04329	0.5
251.07184	0.6
253.04787	1.7
253.08614	0.6
255.06577	0.7
295.06232	0.6
297.07452	0.9
305.04755	0.7
323.07782	1.4
335.07693	1.7
339.05304	1.3
340.05551	0.9
341.08926	51.2
342.05920	0.6
342.09250	5.7
353.08838	7.6
354.09152	0.8
515.14111	50.0
516.14349	8.4
530.27258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
56.49310	0.7
57.03453	1.0
58.00591	1.8
59.01381	38.8
69.03467	0.9
70.01617	4.7
71.01389	35.9
72.41781	0.8
72.99331	1.5
73.02952	12.9
75.00883	1.0
78.95892	1.7
83.01388	1.4
83.05037	5.6
85.02964	6.6
87.00880	2.6
89.02457	36.1
93.03474	32.1
93.04082	1.2
95.01394	2.6
96.96938	3.9
98.19881	1.7
99.00903	7.3
99.04520	4.5
101.02461	14.6
101.44759	0.8
111.04529	13.0
112.98841	9.1
113.02473	12.0
115.00423	1.3
119.03523	14.3
129.01952	3.4
130.05151	0.9
131.03517	3.1
136.75754	0.8
137.02472	10.9
142.99879	8.1
143.03520	5.5
149.04543	1.1
155.03503	6.5
161.04582	4.6
172.89890	4.1
173.01036	4.7
173.04568	60.5
174.04887	3.0
179.05630	17.7
185.93811	0.8
220.90048	0.8
231.89720	0.9
251.83084	0.8
341.10916	100.0
342.11243	8.3
418.11649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69516	0.5
57.03442	0.6
59.01373	1.5
60.38751	0.7
60.99300	0.8
70.17039	3.1
71.01396	0.9
71.05030	11.4
75.97438	0.6
78.95907	0.7
83.05032	0.7
84.35810	0.6
85.02965	1.7
86.73100	0.6
87.00871	1.1
88.98814	4.9
89.02474	0.6
93.03474	4.0
96.96037	0.7
99.04538	15.1
101.02463	36.7
107.05048	0.7
109.02972	0.9
111.04536	2.4
115.03999	1.4
117.05597	2.7
128.03572	0.9
133.02937	0.7
134.03790	1.8
135.04553	50.0
136.04909	2.9
137.02507	1.0
138.21432	0.6
143.03542	5.8
153.01915	0.7
155.03548	1.5
161.04588	100.0
162.04929	3.6
164.07220	1.6
173.04581	8.5
174.04854	0.7
179.03522	68.3
180.03879	3.3
186.68730	0.5
191.05644	18.1
191.07358	1.1
192.05940	0.8
341.05496	0.8
341.08939	5.5
342.09311	1.1
353.08789	11.3
354.09229	0.7
386.93875	0.7
515.14154	15.7
516.14478	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	515.1192
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
55.37843	0.5
57.03441	1.0
59.01376	1.9
61.98835	1.2
67.01897	3.4
68.06544	0.4
69.03451	0.6
69.42944	1.5
69.43362	4.5
70.26674	0.5
71.01391	3.1
76.36356	0.4
81.03498	0.8
83.05057	1.0
85.02947	4.4
85.53603	0.5
86.89075	0.5
87.00939	0.7
91.05602	0.6
93.03473	21.8
94.03786	1.3
98.20658	1.0
99.04556	1.2
107.05049	0.9
108.23817	0.6
109.02944	0.8
110.36289	0.5
111.00898	0.8
111.04528	4.6
113.02473	0.8
127.04016	1.3
133.02953	1.0
134.03741	2.3
135.04546	58.9
136.04924	2.9
137.02469	5.0
155.03494	5.4
161.02419	3.9
173.04570	91.5
174.04932	4.6
179.03517	63.7
180.03922	2.7
191.05629	36.1
192.05957	1.5
203.03497	3.8
218.57837	0.5
255.06659	0.7
299.05716	1.8
317.06601	1.3
342.06888	1.3
353.08792	100.0
354.09116	11.3
452.10770	1.5
515.11969	7.1
516.12299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1197
Annotation	3,5-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
50.69109	0.4
56.54581	0.4
57.03423	0.9
59.01384	1.6
60.49245	0.4
60.99297	1.2
61.98822	0.4
65.03970	0.4
67.01890	4.2
69.03448	1.0
70.99107	0.9
71.01371	2.4
73.02954	0.5
81.03475	1.3
83.01417	0.8
83.05040	0.9
85.02958	6.2
87.00887	8.0
93.03470	31.8
94.03799	1.0
99.04569	0.5
108.02180	0.9
109.02972	28.9
110.03299	1.4
111.04542	4.9
125.02481	0.6
127.04061	1.7
133.02969	0.5
135.04561	9.1
136.04916	0.5
137.02492	1.3
141.60036	0.4
145.02979	13.3
146.03625	0.7
147.04460	0.5
151.04013	1.3
155.03535	1.5
159.04550	2.0
160.04964	0.4
161.02470	6.8
161.06107	8.3
162.02740	0.7
162.06458	0.8
173.04575	17.0
174.04926	0.5
175.04042	1.0
179.03510	7.2
180.03818	0.7
186.03275	0.8
187.04018	12.2
188.04344	0.8
191.05634	69.9
192.05977	3.5
199.04105	0.4
202.58728	0.4
205.05093	1.7
209.06136	0.6
209.08018	0.4
211.04131	0.5
213.01945	4.2
214.02695	2.4
215.03374	0.5
225.05595	0.5
237.05565	1.7
239.03468	2.8
240.04248	1.3
241.05188	0.4
251.03683	0.6
253.05040	3.4
253.07442	0.4
253.08635	0.5
254.05586	0.5
255.06633	4.3
261.05548	0.5
279.03006	4.3
279.06528	1.2
280.03732	1.4
281.04535	12.2
282.05066	1.2
295.06097	1.3
297.07681	7.5
298.07916	0.6
305.04559	1.0
323.05606	10.4
324.06009	0.8
341.06674	15.3
342.07074	1.7
515.11920	100.0
516.12225	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	515.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51193	0.8
57.03449	4.0
57.26223	0.7
59.01387	5.8
67.01896	2.9
71.01405	3.6
83.05061	1.5
85.02972	4.3
87.00880	1.0
93.03471	21.0
94.03815	0.7
99.04523	4.0
101.02476	1.4
109.02988	1.7
111.00885	0.8
111.04525	5.0
113.02496	0.8
113.79285	0.7
125.02464	1.9
127.04025	1.3
133.02963	1.4
134.03764	2.3
135.04547	61.2
136.04898	3.2
137.02470	5.4
155.03506	4.8
161.02451	4.9
173.04573	92.0
174.04933	4.9
179.03516	60.4
180.03842	3.8
191.05623	41.5
192.05991	2.5
203.03558	2.8
213.07603	0.7
229.59612	0.9
299.05737	1.2
317.06604	0.9
335.07675	1.1
350.01263	0.7
353.08798	100.0
354.09186	10.7
371.12729	0.8
515.11835	7.9
516.12421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1196
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
52.89973	0.3
55.95267	0.3
57.03450	18.4
57.42526	0.3
59.01381	20.0
60.01718	0.6
60.78525	0.3
60.99314	0.7
61.98835	2.0
67.01890	3.3
69.03455	1.1
71.01389	7.7
71.71549	0.7
73.02947	3.5
78.91890	0.5
79.05518	0.3
81.03468	1.3
82.95444	0.9
83.01401	1.7
83.05035	1.1
83.43835	0.4
85.02959	6.1
87.00900	1.7
88.98820	0.5
89.02445	2.3
93.03471	21.7
94.03802	0.8
95.01425	0.4
97.02953	0.6
99.00909	0.8
99.04533	17.2
100.04879	0.5
101.02460	8.1
101.03090	0.6
102.02827	0.3
107.05023	1.0
108.02181	0.5
109.02972	1.7
111.00912	1.3
111.04536	5.6
113.02471	4.1
113.06079	0.9
119.03519	1.2
123.04539	2.5
125.01612	0.6
125.02472	7.1
127.04024	1.3
131.03529	0.5
133.02959	2.3
133.05328	0.4
134.03752	2.2
135.04543	63.8
136.04887	3.1
137.02467	6.9
141.05595	0.6
143.03542	1.6
149.04597	0.6
153.05638	0.5
155.03529	6.3
156.03838	0.4
161.02454	6.6
161.04507	2.1
165.09206	1.7
173.04568	88.9
174.04893	3.9
175.03943	0.4
177.01981	2.1
179.03513	68.1
179.06982	1.3
180.03845	3.5
191.05626	47.5
192.05896	1.7
203.03513	2.2
203.05261	0.4
231.57101	0.3
238.08781	2.1
239.09216	2.6
285.03888	0.4
299.05560	0.9
317.06610	0.3
335.07657	2.1
353.08783	100.0
354.09161	10.5
354.13028	0.3
371.20673	1.1
401.14545	1.6
413.22073	0.7
431.09732	0.5
472.89825	0.3
515.12030	4.6
515.23956	1.9
516.12317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28434	1.1
57.03449	1.3
59.01382	4.6
61.98826	7.5
69.03464	5.1
71.01377	5.9
72.99316	2.9
73.02942	1.9
75.00877	16.5
78.95924	2.9
81.03461	1.0
82.03005	1.9
82.60664	1.0
83.01377	1.0
83.05035	1.7
84.04568	4.8
85.02942	5.0
85.13614	1.2
87.00896	2.2
89.02469	4.2
93.03452	7.2
93.18592	0.8
94.03004	0.9
98.02492	84.5
99.00905	2.5
99.02847	2.1
100.04058	2.2
101.02472	1.5
102.05636	1.6
109.02975	2.1
110.02397	1.0
110.06156	1.8
111.04551	5.7
115.00359	1.3
120.64101	1.1
122.06146	1.5
125.02457	1.7
128.03528	6.1
128.07181	3.2
133.03062	1.2
135.03018	31.2
135.04063	1.5
135.04544	2.1
137.02454	3.5
140.07166	2.8
147.70154	1.0
151.00430	1.4
155.03500	1.3
161.02542	1.4
166.05118	1.6
167.14439	2.2
172.02554	1.6
173.04562	4.5
174.03148	1.0
174.48798	1.0
178.99873	1.2
179.03656	1.3
180.06731	2.0
184.06166	52.0
185.06502	1.4
187.04001	1.5
188.04462	1.1
191.05647	9.6
193.16037	5.5
195.17599	2.4
209.15424	1.2
210.18663	2.4
234.18787	2.1
238.18088	1.9
250.18181	2.5
252.23354	2.2
262.18216	1.2
264.16049	1.4
266.17551	5.7
270.15897	1.1
278.17621	3.7
281.17645	3.0
290.21320	5.7
294.17081	21.1
295.17355	1.8
306.20895	2.4
329.77060	1.1
334.20166	3.0
340.21338	6.3
342.20233	1.4
348.21957	1.7
352.21292	100.0
353.21655	12.7
367.17575	2.1
380.20825	4.2
394.18488	1.4
396.20261	28.7
397.20633	4.3
408.24005	2.9
424.19659	2.0
426.21915	1.2
452.23010	2.3
488.73776	1.2
515.28937	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	514.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
59.01381	3.7
61.98835	15.8
62.61359	0.4
71.01385	1.3
71.71535	0.5
81.03461	0.4
82.42877	0.5
85.02974	0.6
88.98819	0.5
89.02431	0.9
89.03996	0.6
91.01939	0.5
93.03474	1.4
95.05052	1.1
99.04537	2.4
101.02449	1.4
103.05537	0.5
105.03487	0.4
108.02149	0.6
109.02969	22.9
110.03352	0.5
111.04581	0.6
119.04979	1.0
121.03022	0.7
123.04544	12.2
125.02449	2.0
133.02986	4.2
134.03786	0.6
135.04544	1.4
137.02408	0.9
145.02966	1.8
147.04521	3.5
150.03200	0.7
151.04045	5.9
159.04568	1.2
161.02463	8.6
161.04599	0.6
162.03108	0.6
163.04001	1.1
173.04616	2.1
175.04004	0.7
176.01225	1.3
177.01953	43.4
178.02310	1.3
179.03583	1.1
187.04037	1.7
189.01956	49.4
190.02693	13.1
191.03503	11.6
191.05600	2.5
192.03886	1.0
194.24686	0.5
203.03506	6.3
216.00629	7.6
217.01425	43.8
218.01958	4.7
219.02986	17.0
220.03365	0.8
231.02975	13.1
232.03467	2.0
233.04489	1.1
237.84659	0.5
245.08276	0.6
247.55249	0.5
281.04605	1.3
289.07227	2.6
293.04776	0.5
297.07666	0.7
299.05557	0.8
323.05640	2.5
333.78891	0.5
335.02390	0.5
339.07413	0.8
341.06683	100.0
342.07010	11.7
353.08932	1.2
451.10358	93.6
452.10687	17.4
515.11786	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	514.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.7
59.01373	2.3
60.95684	0.6
61.98835	84.5
67.01879	2.2
71.01366	1.8
81.03426	1.1
85.02947	2.1
93.03464	11.3
95.05064	0.8
98.19807	1.2
99.04514	3.2
101.02433	1.2
108.02155	0.9
109.02969	23.2
110.03308	0.9
111.04530	2.7
119.04964	1.0
121.03044	0.9
123.04541	10.8
124.04874	0.8
125.02456	1.5
127.04015	1.0
133.02982	5.7
133.03825	0.9
134.03674	1.5
135.04541	28.2
137.02457	6.2
145.02945	1.1
147.04494	3.0
149.02449	1.2
150.03137	1.2
151.04045	6.3
152.01111	0.9
153.01891	1.0
155.03506	2.5
161.01250	1.2
161.02461	10.0
162.03195	2.3
163.04022	2.5
173.04570	46.2
174.04924	1.8
176.01109	1.1
177.01949	27.9
178.02289	2.8
179.03516	30.9
187.03989	2.6
188.04811	1.2
189.01950	42.1
190.02725	11.2
191.03484	9.6
191.05614	19.5
194.05858	3.6
203.03532	5.2
209.08232	5.1
216.00661	6.1
217.01422	31.4
218.02063	3.1
219.02991	11.9
227.07135	0.9
229.08736	1.1
231.02979	10.6
232.03447	1.7
255.06754	1.1
269.08258	1.0
281.04468	4.5
286.30780	0.8
287.05664	2.1
289.07281	1.5
297.04330	1.3
297.07663	4.9
299.05615	11.1
300.02878	1.1
300.05988	1.5
301.03244	1.1
302.03333	0.9
315.05249	1.5
323.05615	2.2
335.07684	1.5
341.06674	100.0
342.07068	12.0
352.07458	1.5
353.08804	47.3
451.10358	98.7
452.10712	17.1
515.11835	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	513.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03446	0.1
58.00362	0.1
58.00613	0.2
59.01380	5.5
60.01701	0.1
61.98825	0.2
69.03463	0.1
69.70725	0.3
69.71137	0.1
71.01387	4.1
72.01759	0.1
72.99304	0.3
73.02952	0.9
75.00879	0.1
78.95901	0.1
81.03470	0.1
83.01387	0.5
83.05048	0.3
85.02959	1.1
86.00135	0.1
87.00884	0.5
89.02454	3.1
90.02792	0.1
91.04039	0.2
93.03477	0.2
95.01415	0.3
97.02966	0.1
98.20545	0.1
99.00888	0.3
101.02456	4.3
102.02777	0.1
103.04029	0.1
108.43253	0.1
109.02993	0.1
111.04529	0.2
113.02470	1.9
115.04036	0.1
119.03516	1.1
125.02471	0.2
127.03994	0.1
127.07713	0.1
129.02122	0.1
131.03540	0.2
133.05096	0.5
133.31670	0.1
137.02467	0.1
143.03519	0.3
145.05017	0.1
149.04597	0.1
155.03452	0.1
157.05113	0.2
161.04584	1.7
172.05351	0.1
173.05730	0.1
179.05690	0.5
189.25595	0.1
197.11729	0.1
200.04927	0.1
233.22705	0.3
235.08229	1.3
253.09285	16.0
254.09689	0.9
259.20554	0.3
275.20050	0.3
277.21719	100.0
278.22061	12.4
313.18109	0.2
357.17090	0.9
358.17264	0.1
513.21179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12519	0.9
53.13149	0.7
54.21801	0.8
55.01884	1.1
57.03452	100.0
58.00592	1.9
58.03784	1.8
59.01383	94.4
60.01706	1.4
61.46049	0.8
61.98844	5.0
69.03447	1.1
70.99076	1.9
71.01390	46.3
72.01727	1.0
72.99304	1.6
73.02953	19.1
75.00858	1.0
79.05552	1.0
81.03455	2.3
83.01408	8.1
85.02960	10.9
87.00882	1.9
89.02460	28.6
93.03452	1.2
95.01404	3.1
97.02956	1.6
99.00880	1.9
99.04536	90.1
100.04855	3.5
101.02460	48.9
102.02800	0.8
113.01697	1.5
113.02470	25.3
113.06099	1.9
114.02775	1.2
119.03522	11.7
121.06641	1.4
123.04546	7.9
125.02468	44.0
126.02783	1.9
131.03540	3.9
137.09744	19.7
138.10086	1.6
141.05624	2.2
143.03522	7.9
149.04587	4.9
149.09741	1.7
151.73804	0.7
153.05563	1.6
155.03583	1.2
161.04582	56.0
162.04848	1.9
173.04602	1.0
179.05630	19.0
189.12878	2.3
191.05603	1.1
203.05608	2.7
207.13948	1.3
221.06618	2.2
233.06653	4.4
259.38287	0.9
263.07712	19.1
264.08102	1.7
316.27151	0.8
323.09836	18.0
324.10049	1.4
339.04837	0.9
357.07242	0.9
359.51981	0.8
513.22876	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	513.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76134	0.5
53.00288	0.6
55.01875	0.9
57.03450	84.0
58.00612	1.0
58.03789	2.1
59.01381	100.0
60.01721	1.3
61.98836	4.4
65.61351	0.6
66.88850	0.5
69.03462	0.7
69.42349	2.7
69.42778	2.8
71.01389	30.9
72.99326	1.5
73.02953	16.0
79.05523	0.7
81.03471	2.1
83.01392	6.6
85.02965	7.5
85.44794	0.5
87.00883	1.6
89.02460	19.8
95.01403	2.3
97.02961	0.6
97.06593	0.7
99.00953	0.9
99.04535	88.5
100.04860	2.8
101.02459	41.8
102.02784	1.2
109.02976	3.5
113.02469	19.3
113.03251	1.2
113.06097	0.6
114.02840	0.6
119.03517	7.4
121.06564	0.8
123.04549	6.3
125.02469	42.7
126.02773	2.1
129.89008	0.6
131.03505	1.9
133.02943	0.7
137.09747	10.3
141.05579	1.4
143.03534	6.2
149.04570	4.5
151.04027	1.4
153.05598	1.7
161.02509	0.9
161.04579	16.1
162.04987	0.6
167.39803	0.5
177.01991	4.6
179.05640	8.0
183.06671	0.5
188.95488	0.6
189.01955	8.4
189.12846	0.9
190.02672	2.0
191.03459	2.4
191.05545	0.9
193.87950	0.5
203.03490	0.7
203.05556	0.8
207.13916	0.7
216.00557	1.5
217.01421	7.2
219.03017	2.9
219.78455	0.5
221.06616	2.2
231.02913	2.3
233.06668	0.8
246.64709	0.6
263.07782	2.4
263.10477	0.6
299.98257	0.5
308.23743	0.6
323.06281	0.6
323.09705	3.0
341.06677	16.2
369.19189	1.3
369.82288	0.5
411.20233	2.4
451.10352	15.4
469.24213	1.1
513.16425	0.6
513.23529	8.0
514.23157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
60.05833	0.2
61.98813	0.6
65.03938	1.0
70.47997	0.2
71.01414	0.3
71.40937	0.6
75.29537	0.2
77.61769	0.2
81.03470	1.3
83.05031	2.7
84.95385	0.2
89.02451	0.2
93.03473	18.1
94.03770	0.7
95.01375	0.3
96.02177	0.3
111.04536	4.8
121.06579	0.3
130.04227	0.3
131.05014	1.2
135.45334	0.3
137.02464	11.2
143.05043	1.2
143.22659	0.2
155.03526	8.0
156.03764	0.5
156.05775	0.9
157.06569	0.6
158.03761	2.2
158.07352	0.7
159.04546	1.9
171.04553	2.4
171.08141	0.8
172.05327	17.0
173.05676	1.2
175.03958	0.7
186.06848	0.4
200.04810	5.9
201.05159	0.6
213.05486	0.2
216.04301	2.2
236.20148	0.2
241.19421	0.3
244.03719	1.8
249.30144	0.3
253.09125	0.8
257.19107	1.8
269.19171	0.6
277.21750	5.5
278.22098	0.6
285.18582	2.8
286.18909	0.5
311.16742	0.3
313.18097	25.0
314.18460	3.9
357.17087	100.0
358.17432	15.1
411.56314	0.3
469.22327	0.5
513.21338	16.6
514.21643	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	513.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65505	0.2
61.98834	0.4
65.03958	0.5
69.03461	0.3
71.01379	0.3
71.27997	0.3
71.28338	0.4
73.02959	1.4
76.65472	0.2
78.73003	0.2
78.95900	0.4
81.03468	0.9
83.05040	2.8
93.03474	17.7
94.03808	0.5
99.00887	0.5
99.04541	0.5
109.02969	0.7
111.04539	8.7
112.04807	0.3
126.64508	0.2
130.04256	0.3
131.05014	0.3
132.56967	0.3
135.77139	0.2
137.02469	8.1
138.02785	0.4
139.05536	0.4
143.05052	0.4
145.02965	0.6
145.06656	0.3
146.03786	0.7
147.58763	0.2
152.06369	0.3
153.07091	0.9
155.03532	10.5
156.03899	0.4
158.03758	1.8
159.04527	2.0
165.24451	0.3
167.05031	0.4
169.02965	0.6
169.06628	0.4
170.03667	0.2
171.04584	2.1
172.05324	6.6
173.04556	1.0
173.05904	0.3
174.03188	1.2
175.03767	0.3
180.05807	0.3
181.06522	0.2
181.10043	0.3
182.03731	2.8
183.04538	13.8
184.04955	1.3
185.02458	0.7
185.06108	4.1
186.03275	0.7
186.06770	0.5
190.16109	0.2
193.06612	0.4
195.04533	17.9
196.05307	30.9
197.05734	3.1
198.03183	0.8
198.06851	0.5
198.44450	0.2
199.04027	0.8
199.07680	0.4
200.04778	0.9
201.01878	0.3
209.06108	1.9
210.06781	1.3
211.07657	1.5
213.01959	0.4
223.07619	0.4
225.09142	0.3
239.10728	0.4
240.04228	1.1
241.12372	0.3
251.17976	1.1
253.12404	1.5
267.13876	1.9
267.17322	0.6
284.17743	0.4
285.18573	5.1
286.18954	0.5
293.15451	0.3
294.15952	0.4
295.17047	78.2
296.17395	10.4
311.16495	1.2
313.18103	12.0
314.18484	1.7
327.16476	0.3
329.17633	0.7
339.16031	100.0
340.16370	15.0
357.17148	2.2
358.17297	0.3
425.23480	0.3
451.21103	0.3
495.20242	6.4
496.20694	1.5
513.21198	1.7
514.22046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01289	1.2
56.24305	1.2
59.01370	3.7
61.98834	2.0
65.03945	2.0
71.01359	1.7
71.70697	2.6
73.02943	3.1
78.95908	9.5
81.03445	1.9
83.05038	6.8
85.02969	3.0
92.94389	1.6
93.03470	42.7
94.03764	1.6
96.96070	1.5
99.00889	1.5
100.13752	1.3
109.02985	2.3
111.04532	15.8
123.04620	1.3
130.04324	3.3
131.05080	3.5
137.01454	1.7
137.02484	24.1
143.05058	1.8
145.02992	1.9
147.04523	2.6
153.12895	1.9
155.03543	15.8
155.04813	1.9
156.05745	1.3
158.03740	14.8
159.04558	21.1
161.02440	3.1
167.05049	5.1
171.04633	2.8
172.05289	4.4
173.04597	11.3
174.03258	7.8
183.04535	47.0
184.04886	3.4
185.02487	10.0
191.05630	11.1
195.04535	1.8
196.05357	24.1
197.05814	4.0
198.03242	4.9
199.03998	1.8
201.05548	2.1
209.06116	5.1
210.06857	18.5
211.07408	3.1
224.08455	3.7
230.02168	1.9
257.18781	1.7
267.17508	4.3
271.16986	1.5
283.13541	1.8
285.18588	18.2
286.18945	1.6
295.17053	81.9
296.17313	9.1
297.14978	81.4
298.15341	9.1
313.18091	69.6
314.18350	8.9
339.16010	28.5
340.16479	3.4
357.17075	41.2
358.17477	5.2
431.92560	1.6
495.20618	1.8
513.21265	100.0
514.21777	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	513.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
60.99306	5.1
61.98838	2.2
66.57275	0.5
67.01895	11.0
67.38368	0.5
69.03472	2.9
69.83054	4.5
71.01395	4.6
73.02942	0.6
77.36523	0.6
78.95926	2.9
81.03470	2.5
83.05037	1.9
85.02973	1.9
87.00887	16.2
93.03472	87.4
94.03808	4.2
99.00883	2.3
109.02980	0.8
111.04546	13.2
115.04036	0.7
129.01991	1.3
137.02446	1.1
152.99724	0.7
153.07069	0.7
155.03543	4.5
158.03754	1.1
171.04668	0.8
171.08214	0.7
172.05345	4.1
173.04576	100.0
174.03496	0.7
174.04889	3.4
182.03738	1.6
183.04515	6.9
191.05640	16.0
192.06049	0.7
195.04570	6.5
196.05310	14.1
197.05850	1.5
209.06088	1.4
210.06836	0.9
211.07625	1.1
232.06279	0.6
240.04172	1.5
253.12271	1.3
267.14047	1.1
267.17419	0.8
295.17062	35.5
295.35556	0.6
296.17444	4.8
297.14969	2.2
302.54974	0.6
313.18155	3.5
339.16040	33.9
340.16309	4.6
357.17038	1.9
428.53775	0.7
513.21301	37.4
514.15076	0.7
514.21619	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	513.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01372	0.9
60.99298	0.3
61.98845	0.3
63.49563	0.2
67.01897	1.6
69.03457	0.6
69.13548	0.2
69.59687	1.5
71.01395	1.0
71.32985	0.2
72.70864	0.2
74.00074	0.2
79.16646	0.2
81.03467	0.2
83.05044	0.6
85.02963	1.3
87.00897	2.4
90.88004	0.2
93.03470	9.9
94.03795	0.4
98.20607	0.3
99.04545	0.3
101.02479	0.3
109.02963	1.1
111.00878	0.4
111.04553	2.2
113.02510	0.3
117.03461	0.2
121.02991	0.5
127.04039	0.3
129.01942	0.4
132.02219	0.4
133.02988	1.1
135.04543	1.6
137.02461	1.3
139.63187	0.2
145.02951	0.5
152.03540	0.2
155.03532	1.0
159.04544	1.2
160.01685	0.7
161.02493	2.6
162.03006	0.2
167.08701	0.4
171.02971	0.2
173.02377	0.3
173.03018	0.3
173.04593	6.0
174.03291	0.5
174.04826	0.3
177.01918	0.4
177.07074	0.2
179.03574	1.2
181.06552	0.2
183.08185	0.4
191.05655	6.6
192.05939	0.3
193.06670	0.9
194.07098	0.2
195.04486	0.2
195.08185	3.4
196.05324	0.5
197.06148	0.7
201.02097	0.3
205.06662	0.3
206.07384	0.5
207.08176	0.7
208.05301	0.3
209.06099	0.6
210.06665	0.3
211.04147	0.3
211.07643	2.5
212.04623	0.2
212.07893	0.2
219.04428	0.4
220.05214	0.3
221.06111	3.5
222.06799	2.2
223.07658	5.7
224.04819	1.3
224.07996	0.7
225.05418	0.7
233.06114	0.4
234.06874	0.5
237.05524	2.0
238.06342	1.4
239.07146	5.2
240.04202	0.2
240.07455	0.6
248.04707	0.8
249.05566	3.6
250.06306	2.5
250.60037	0.2
251.03439	0.3
251.07130	8.0
252.04163	0.8
252.07466	0.8
253.04987	0.5
264.04257	0.2
265.05002	2.0
266.05826	2.1
267.06616	13.1
268.06989	1.3
269.08154	0.4
277.05023	3.4
278.05685	0.6
280.03690	0.5
283.06146	0.4
293.04556	1.8
294.05276	0.7
295.06128	13.0
296.06506	1.3
307.72604	0.2
311.05606	4.2
312.05835	0.4
321.04065	3.2
322.04349	0.5
339.05115	100.0
340.05444	12.7
381.06256	1.6
467.10004	0.3
477.08395	0.4
495.09390	2.6
496.09717	0.3
513.10364	68.3
514.10693	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	513.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57839	0.1
57.03445	0.1
59.01373	0.2
61.98839	0.2
65.03934	0.1
67.01890	0.2
69.03462	0.2
71.01377	0.4
71.04987	0.1
78.27428	0.1
81.03476	0.3
83.05033	0.5
85.02950	0.4
87.00880	0.3
93.03477	2.6
98.19914	0.3
99.04539	0.1
108.02214	0.1
109.02958	0.9
111.04546	1.5
117.03517	0.2
119.05022	0.1
119.94730	0.1
121.02979	0.6
121.06618	0.1
123.04535	0.2
125.02477	0.2
127.04060	0.1
129.01962	0.2
132.02193	0.4
133.02994	1.0
135.04552	1.8
137.02454	0.4
145.02937	0.4
151.03999	0.2
155.03532	1.0
158.03764	0.2
159.04543	1.3
160.01666	0.8
161.02467	2.4
163.04036	0.3
167.08684	0.8
169.06627	0.3
173.02422	0.4
173.04573	1.6
174.03201	0.4
174.04752	0.1
175.04004	0.2
177.01877	0.2
177.07060	0.2
179.03534	1.2
181.06541	0.3
183.04506	0.2
183.08151	0.4
184.05310	0.1
185.02469	0.2
187.04025	0.3
191.05609	1.9
192.05981	0.1
193.06616	1.2
195.04507	0.3
195.08173	3.8
196.05365	0.6
196.08510	0.4
197.06064	0.8
203.03612	0.2
204.05847	0.1
205.06561	0.2
206.07365	0.7
207.08157	0.7
208.05405	0.2
209.06078	0.7
210.06798	0.3
211.03967	0.3
211.07651	2.5
212.04865	0.2
212.07990	0.3
217.01418	0.1
219.04514	0.1
220.05219	0.3
221.06085	3.4
222.06877	2.4
223.04088	0.2
223.07648	5.9
224.04816	1.4
224.08040	0.6
225.05467	0.7
229.01393	0.3
232.05321	0.2
233.05962	0.3
234.06815	0.5
236.04715	0.1
237.05574	2.1
238.06342	1.2
239.07140	5.8
240.04282	0.1
240.07465	0.4
243.03036	0.1
248.04747	0.4
249.05559	3.2
250.06323	2.4
251.07124	7.9
252.04549	0.7
252.07056	0.7
253.05025	0.5
255.06711	0.1
265.05048	1.4
266.05771	1.7
267.06607	13.9
268.06906	1.3
271.05917	0.1
276.04208	0.2
277.05054	2.1
278.05688	0.3
279.03168	0.1
280.03662	0.5
283.05960	0.5
293.04489	0.7
294.05246	0.4
295.06131	14.9
296.06464	1.7
310.05020	0.1
311.05600	4.4
312.05969	0.3
321.04089	1.0
333.11371	0.1
339.05112	100.0
340.05444	12.1
495.09290	1.1
496.09268	0.2
513.10370	41.1
514.10699	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	513.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21627	0.1
59.01380	1.1
65.03961	0.2
65.83530	0.1
66.71294	0.1
67.01891	1.1
69.03461	0.4
69.63701	0.3
69.64106	0.8
71.01384	1.0
71.72561	0.1
73.02942	0.1
81.03458	0.3
83.05019	0.5
85.02968	0.8
87.00899	0.5
89.02460	0.4
92.92200	0.1
92.92799	0.1
93.03470	8.3
93.52482	0.1
94.03798	0.4
97.02998	0.1
99.04549	0.1
101.02470	0.5
109.02972	1.0
111.00892	0.5
111.04545	1.6
113.02465	0.4
117.03513	0.1
121.02975	0.6
121.05398	0.1
122.06178	0.3
125.02511	0.2
127.04027	0.2
132.02202	0.2
133.02974	1.1
134.00131	0.1
135.04552	1.5
137.02454	1.6
143.05006	0.1
145.02945	0.3
147.00784	0.1
151.03923	0.2
152.03442	0.1
155.03528	1.1
158.03780	0.2
159.04535	1.1
160.01703	0.7
161.02460	2.9
163.04007	0.2
167.08656	0.5
169.06583	0.3
173.02376	0.3
173.04562	7.2
174.03235	0.4
174.04776	0.2
175.03940	0.2
177.01956	0.3
179.03532	0.9
183.04622	0.2
183.08208	0.4
187.04033	0.3
191.05626	2.3
192.05940	0.3
193.06564	1.0
195.04512	0.2
195.08159	3.3
196.05278	0.5
196.08487	0.3
197.06029	0.5
203.03484	0.2
204.06342	0.1
205.06567	0.3
206.07376	0.4
207.08089	0.7
209.06108	0.7
210.06642	0.3
211.04022	0.2
211.07642	2.2
212.04538	0.1
212.07916	0.2
219.04616	0.2
220.05334	0.5
221.06093	2.6
222.06844	2.6
223.07652	5.0
224.04768	1.2
224.07997	0.5
225.05481	0.6
231.11360	0.4
233.06099	0.4
234.06769	0.4
237.05533	1.5
238.06294	1.1
239.07153	4.5
240.04343	0.1
240.07442	0.5
246.11244	0.2
248.04778	0.5
249.05550	2.8
250.06302	2.3
251.07108	7.0
252.04282	0.5
252.07257	0.6
253.04993	0.4
264.04605	0.1
265.05042	1.2
266.05792	1.9
267.06601	11.1
268.06924	1.3
269.08401	0.2
271.10907	0.6
276.04239	0.2
277.05057	2.2
278.05591	0.5
279.03101	0.1
280.03818	0.7
283.06058	0.6
293.04596	1.2
294.05197	0.8
295.06122	11.9
296.06479	1.4
311.05594	3.9
312.05850	0.5
321.04099	1.8
322.04596	0.3
339.05099	100.0
340.05444	11.7
381.06119	1.8
382.06863	0.3
451.17429	0.4
467.09824	0.3
477.08139	0.3
478.08960	0.2
495.09372	3.2
495.16483	0.1
496.09564	0.5
513.10352	47.9
513.16815	2.3
514.10724	8.2
514.17328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07542	0.1
51.14950	0.1
57.03441	0.3
58.08585	0.1
59.01374	0.5
60.99300	0.1
61.98830	0.1
65.03979	0.1
67.01894	1.0
69.03454	0.5
69.81306	0.7
71.01391	0.9
72.99316	0.1
73.02939	0.1
77.26775	0.1
78.95930	0.1
81.03465	0.3
83.01412	0.1
83.05016	0.4
85.02947	0.6
87.00901	0.4
87.20577	0.1
88.98814	0.2
93.03471	8.2
94.03809	0.3
95.01434	0.1
96.96037	0.1
105.03484	0.1
108.02185	0.1
109.02970	1.0
111.00873	0.5
111.04536	1.9
113.02464	0.3
117.03442	0.2
119.05059	0.2
121.02979	0.8
122.06150	0.1
123.04575	0.1
125.02465	0.4
127.04040	0.1
129.01964	0.1
131.05067	0.1
132.02180	0.2
132.99289	0.1
133.02983	1.5
135.04544	1.7
136.04924	0.2
137.02469	1.8
143.03697	0.1
143.25957	0.1
145.02988	0.4
146.03731	0.1
147.04587	0.2
149.02396	0.2
151.03967	0.2
155.03535	1.2
156.03970	0.1
159.04546	1.1
160.01674	0.7
161.02469	3.3
162.02850	0.1
163.03990	0.2
166.05116	0.2
167.05025	0.1
167.08717	0.5
169.06546	0.2
173.02258	0.2
173.04576	8.1
174.03241	0.3
174.04927	0.4
175.04018	0.3
177.01924	0.5
179.03519	0.9
179.08626	0.2
180.05801	0.1
181.06618	0.2
183.04518	0.1
183.08160	0.5
185.02383	0.2
186.03217	0.2
187.04004	0.2
191.05634	2.2
192.05878	0.1
193.06593	0.7
194.07216	0.1
195.04555	0.2
195.08160	3.1
196.05330	0.6
196.08543	0.2
197.06058	0.6
201.02003	0.2
203.03600	0.2
204.05809	0.1
205.06572	0.3
206.07277	0.5
207.08235	0.7
208.05344	0.2
209.06129	0.6
210.04066	0.1
210.06834	0.2
211.03938	0.2
211.07634	2.3
212.04771	0.2
213.05464	0.1
217.01395	0.1
219.04539	0.1
220.05406	0.3
221.06091	3.1
222.06845	2.3
223.04179	0.2
223.07649	5.6
224.04779	1.4
224.08020	0.5
225.05415	0.7
227.03574	0.1
229.01366	0.2
232.05310	0.1
233.06128	0.3
234.06805	0.5
235.03981	0.2
236.04805	0.1
237.05569	2.2
238.06345	1.0
239.07133	5.1
240.04202	0.2
240.07472	0.4
247.03967	0.2
248.04773	0.5
249.05579	2.8
250.06311	2.2
251.03221	0.2
251.07132	6.7
252.04448	0.7
252.07343	0.7
253.04950	0.6
265.05014	1.3
266.05740	2.2
267.06616	11.6
268.06967	1.3
269.08206	0.2
271.06009	0.1
276.04123	0.1
277.05066	2.3
278.05579	0.5
279.03146	0.3
280.03741	0.7
281.08441	0.1
283.06058	0.4
289.07162	0.2
289.11826	0.1
292.03757	0.1
293.04507	1.5
294.05231	0.7
295.06128	13.4
296.06485	1.4
309.07767	0.1
310.04883	0.1
311.05615	4.2
312.06052	0.5
321.04065	1.5
322.04483	0.3
333.06403	0.2
333.11246	0.1
337.07330	0.2
339.05109	100.0
340.05438	11.7
351.11713	0.1
381.06189	2.0
382.06586	0.2
449.09656	0.1
451.10287	0.1
469.11551	0.1
477.08328	0.3
495.09375	3.1
496.09793	0.6
513.10358	38.0
514.10699	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	513.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
58.42572	0.2
59.01388	1.1
61.98835	2.1
71.01387	0.7
72.99306	0.2
78.91892	0.3
85.02975	0.8
87.00889	0.6
93.03475	0.9
96.96010	1.0
97.02960	0.8
98.20775	0.5
98.95597	1.2
99.04533	0.9
99.92596	14.9
100.92601	0.6
100.93388	0.9
101.02413	0.3
108.02209	0.2
109.02963	0.8
114.94949	2.2
115.92094	11.7
116.92877	100.0
117.92894	6.5
117.93641	0.4
121.03029	0.2
125.02468	1.6
133.02983	0.4
135.04549	0.8
137.02437	0.5
138.98653	0.6
139.95705	0.7
141.93698	0.5
142.94537	0.2
147.04613	0.5
151.03975	0.3
152.01093	0.4
152.65170	0.3
153.01923	0.3
156.96008	0.7
158.93961	1.4
160.04025	1.4
161.02464	0.6
161.04541	1.3
173.04568	0.7
177.01924	0.8
179.03528	0.5
182.97586	2.2
183.94720	1.2
187.07657	0.4
191.05629	5.3
192.05960	1.8
193.06035	0.2
198.97021	0.3
226.96533	11.4
227.96692	1.4
229.01347	0.3
257.08163	0.5
258.08490	0.3
268.97400	0.3
269.08069	0.2
289.07172	0.5
295.06143	0.4
300.02692	0.5
310.98376	0.4
333.00797	0.3
339.05151	1.9
351.01794	0.6
352.02380	0.4
379.66071	0.2
391.04691	0.3
404.00583	0.4
433.06299	0.4
450.14453	0.3
477.04996	4.0
478.05161	0.7
495.06744	0.3
513.06989	24.3
514.07153	5.6
524.48773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
59.01380	6.3
61.98840	14.1
67.01907	4.0
69.03461	1.7
69.68432	0.8
71.01385	4.4
71.41176	1.2
78.95897	2.7
81.03469	1.6
83.01402	1.2
83.05016	1.8
85.02960	7.6
85.38065	0.7
87.00873	3.5
89.02443	1.4
89.56780	0.8
93.03474	26.8
94.03774	1.0
96.96073	1.6
96.96979	2.0
97.02985	1.2
99.04513	1.5
101.02504	1.4
108.02189	1.8
108.21459	0.7
109.02995	4.9
111.00905	1.1
111.04514	5.9
112.04969	0.8
116.92918	1.4
117.03429	1.3
121.02924	1.0
123.04564	1.2
125.02455	4.5
127.04035	1.6
132.02484	0.7
133.02968	2.0
135.04532	3.3
137.02461	8.1
146.03929	1.0
147.04530	1.2
149.06120	1.3
151.03995	2.3
151.07620	1.1
152.01189	1.8
153.01979	1.2
155.03523	7.0
158.03725	1.5
159.04475	2.1
159.08180	1.0
160.04066	7.5
161.02455	4.6
167.03508	1.2
172.05336	7.9
173.04579	88.6
174.03496	1.1
174.04910	4.7
174.06305	0.9
175.04054	1.1
175.07648	1.0
177.01881	2.0
177.09177	1.9
179.03503	0.9
183.04630	1.1
184.05321	0.9
187.04222	4.1
187.07668	100.0
188.04712	1.0
188.08037	8.2
191.05630	55.2
192.05937	3.5
197.06160	1.0
200.04854	1.9
201.05615	7.4
202.06390	18.5
203.06860	1.7
203.10858	1.3
204.04349	1.8
211.00127	1.1
213.09204	10.3
215.07159	7.6
216.07858	1.8
227.03552	1.5
229.08728	3.0
231.04222	1.4
231.06613	39.2
231.10246	42.5
232.06912	2.6
232.10587	4.3
245.08395	0.9
255.03183	0.9
257.08224	16.1
258.08527	1.9
258.60187	0.9
271.02557	1.1
275.09259	96.1
276.09570	9.4
285.04071	1.3
289.07162	3.0
295.15469	2.5
300.02710	1.1
339.05121	4.9
366.08264	2.4
405.12119	5.5
406.12238	1.0
433.08105	1.2
449.08749	6.3
449.14539	18.6
450.09033	1.1
450.14835	3.4
512.11804	1.3
512.18787	1.8
513.10822	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	512.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75437	0.8
57.00793	0.8
57.03446	3.6
59.01380	7.2
61.98834	17.7
63.19718	0.9
67.01896	3.4
68.99806	1.1
69.03476	1.4
71.01380	6.8
71.70743	1.3
76.39657	0.8
78.95917	2.6
81.03461	1.6
83.05036	2.1
85.02958	6.6
87.00912	4.2
88.98827	1.4
89.02422	1.6
89.68020	1.0
89.86819	0.8
93.03473	27.9
94.11214	0.8
95.01398	1.0
96.96986	1.7
99.04553	3.2
101.02470	2.7
108.02185	1.4
109.02979	4.9
111.00836	1.3
111.04533	5.7
113.02477	1.1
116.92825	1.4
118.99683	1.0
121.02979	0.9
123.04569	1.5
125.02460	4.2
127.04032	3.0
133.02992	2.8
135.04533	4.8
137.02481	8.2
149.06046	1.3
151.04036	2.2
152.01118	1.4
153.01907	0.9
155.03546	7.6
158.03781	2.2
159.04524	3.3
160.04065	4.5
161.02454	2.7
172.05328	7.8
173.04576	90.5
173.05962	4.8
174.04895	3.5
175.07668	1.1
177.01965	1.9
177.09248	2.1
179.03548	3.2
187.04073	4.1
187.07660	100.0
188.08015	6.8
191.05632	53.1
192.05916	2.2
199.03918	1.3
200.04756	1.1
201.05571	6.7
202.06400	14.2
203.06764	1.9
203.10866	1.3
204.04282	1.7
213.09218	10.4
214.09428	1.2
215.07097	7.0
216.07823	1.7
229.08691	3.3
231.06636	35.3
231.10278	44.5
232.07014	2.2
232.10640	2.8
257.08173	16.2
258.08511	1.5
271.02542	0.9
275.09247	98.1
276.09604	9.2
295.15424	1.7
300.02609	0.9
330.95523	1.0
335.07361	1.5
339.05096	3.9
366.08255	1.2
405.11841	3.5
433.07950	1.0
449.08698	2.5
449.14560	18.6
450.14709	2.2
478.09750	1.2
513.10291	2.5
513.27179	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2545
Annotation	Andrographiside
Peak:m/z	Relative Intensity
51.21125	0.9
58.00585	1.2
59.01383	25.5
61.98820	2.5
70.29965	0.9
71.01387	14.8
71.70240	1.0
72.99321	2.0
73.23742	1.0
78.95878	1.3
83.01404	1.5
85.02969	3.7
89.02450	9.8
93.03479	5.9
95.01405	1.6
101.02451	9.2
109.02924	1.2
111.04546	2.9
113.02491	5.0
116.07165	1.3
119.03512	3.8
125.02427	1.1
129.97000	1.2
131.05005	1.2
135.04562	2.4
137.02466	3.0
147.04565	6.5
149.06102	4.5
151.00352	2.9
152.99631	1.1
155.03503	1.3
158.03760	1.0
159.04536	5.4
160.36591	1.1
161.02473	16.9
162.03275	10.1
171.04474	1.0
173.04573	3.9
174.03168	1.3
175.03958	5.1
176.04816	87.1
177.05583	26.8
178.05905	1.2
178.99881	2.4
179.03616	1.0
191.05632	6.2
196.16971	1.4
209.11771	3.0
248.18533	1.1
271.02548	1.1
272.02664	1.3
275.16443	1.1
285.18478	1.2
287.16553	2.0
288.17386	1.5
300.02908	2.2
301.03122	4.9
302.03674	2.3
302.18701	2.0
303.19690	11.7
304.19803	2.2
311.16476	3.5
313.18030	7.9
331.19153	34.2
332.19562	4.7
355.15567	2.7
357.11948	15.7
358.12094	1.4
448.09601	8.4
449.09659	2.1
483.26083	16.0
484.26120	2.9
508.68207	1.3
511.25488	100.0
512.25702	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	512.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34133	0.3
57.03448	1.0
59.01385	1.2
61.98833	100.0
62.98542	0.4
65.00323	4.1
65.96496	0.3
71.01412	0.5
71.71281	0.5
71.71655	0.3
73.02964	0.4
78.95938	0.4
83.01407	2.4
83.78006	0.3
85.02972	1.2
87.00888	0.7
88.77074	0.3
89.02470	0.3
93.03458	1.5
95.01395	0.4
107.01405	6.9
109.02987	1.7
111.04526	0.5
111.11990	0.3
121.03008	0.6
123.00883	0.5
123.04552	2.8
123.36410	0.3
124.01696	0.9
125.02465	10.6
126.02808	0.3
127.03982	0.3
133.02989	1.4
135.04536	1.2
137.02472	0.7
140.01595	0.3
143.42482	0.3
149.02481	1.1
149.99574	0.5
150.03244	3.2
151.00394	32.9
151.04018	6.5
152.01175	4.7
153.01956	0.6
155.03503	0.5
161.02444	1.0
163.04001	0.3
167.03516	0.7
168.00670	1.3
168.03795	0.4
169.01440	1.1
171.04585	0.4
173.04582	3.0
173.06017	0.4
174.03242	0.4
175.04019	1.4
177.01959	2.8
178.99884	6.2
179.03528	1.1
187.07684	1.6
189.05563	0.4
191.05626	10.8
192.06017	0.7
193.05066	0.4
198.03186	0.4
199.04051	1.3
201.01895	0.4
201.05620	0.5
215.07169	0.4
217.05090	0.8
231.10379	0.5
241.05061	0.9
243.02945	0.6
245.08463	0.3
251.03397	0.3
257.04398	0.5
257.08261	1.2
275.05740	0.5
275.09299	1.0
285.04056	17.1
286.04282	2.6
287.05045	0.5
289.07175	0.8
297.09912	0.6
300.02811	0.5
302.04483	1.0
303.01660	0.5
303.05106	10.1
304.05496	1.2
323.07886	0.7
339.05115	0.8
433.07831	0.4
449.10776	22.8
450.11050	3.0
451.32822	0.5
513.16144	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	511.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20920	0.4
53.96698	0.4
59.01367	1.4
61.98819	1.0
64.75543	0.4
67.01880	0.5
71.01381	1.1
71.70736	0.8
73.02959	0.6
85.02946	1.6
87.00887	0.5
89.02466	0.7
93.03470	4.2
101.02457	0.5
103.29673	0.5
109.02965	0.9
111.04542	0.8
113.06105	72.4
114.06470	2.3
116.92867	0.5
127.04018	0.5
133.02950	0.8
134.03722	1.0
135.04546	4.4
137.02505	0.9
138.61723	0.5
155.03539	0.8
157.05084	100.0
158.05421	4.2
161.02405	1.1
169.43352	0.4
173.04567	9.1
178.02760	0.8
179.03517	4.8
191.05626	22.3
192.05939	0.9
193.04959	2.8
247.09804	0.5
255.49016	0.6
293.04834	1.1
319.07571	0.9
337.03510	2.4
353.08768	7.4
354.09201	1.2
444.75995	0.5
467.14734	0.6
511.10782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01372	1.4
61.98833	100.0
62.98522	0.3
65.00338	0.3
71.01386	0.7
71.19643	0.6
76.61051	0.2
78.95918	0.3
81.18525	0.2
83.01404	0.2
85.02976	0.8
87.00917	0.2
88.98827	0.4
89.02436	0.4
93.03473	2.0
99.04546	0.3
101.02467	0.6
107.01426	0.6
107.05111	0.3
108.02222	0.2
109.02985	0.9
111.04539	0.4
121.03016	0.6
125.02473	0.2
127.04063	0.3
133.02972	0.5
134.03781	0.6
135.04544	9.3
136.04909	0.3
137.02477	0.9
151.00392	2.7
155.03563	0.6
161.02441	1.1
163.00438	0.7
169.01495	0.3
171.28714	0.2
173.04562	3.6
175.04019	0.3
178.99983	1.5
179.03503	8.6
180.03860	0.4
191.05623	12.8
192.05940	0.5
199.04160	0.2
211.04073	0.3
211.07736	0.3
243.02991	1.0
245.04526	0.4
254.02199	0.4
255.02988	3.6
256.03369	0.5
271.02472	7.2
272.03055	0.8
283.02487	0.4
285.04074	0.3
300.02759	14.4
301.03519	11.4
302.03909	1.0
353.08795	6.7
353.12933	0.4
354.09235	0.7
406.86295	0.2
447.09335	23.7
448.09631	3.6
511.13254	0.4
511.28973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
67.01888	0.9
69.03452	0.9
70.38230	0.7
70.38636	1.5
71.01389	2.3
73.02952	2.9
78.95892	0.7
81.03467	1.2
83.05023	1.7
83.88629	0.4
85.02968	4.4
87.00885	3.0
88.98830	1.5
89.02464	0.4
89.25683	0.4
93.03470	19.4
94.03789	0.4
96.96053	0.9
96.96981	1.0
97.02964	0.5
99.00859	1.3
99.04543	0.9
101.02461	0.8
107.05061	1.9
109.02969	3.3
111.00903	2.3
111.04540	4.5
113.02446	0.4
119.05051	12.8
119.05914	0.7
120.05408	0.6
121.02960	0.6
123.04535	0.5
125.06108	0.8
127.04052	1.1
129.01926	1.0
133.06604	1.1
134.03749	0.7
135.04494	1.0
137.02477	2.7
143.03529	1.7
145.02953	0.9
145.06570	1.1
147.04523	0.9
155.03563	2.4
157.06607	0.9
161.06064	1.3
163.04027	8.4
164.04356	0.5
169.06581	0.8
171.02937	0.6
171.08200	0.9
173.04585	12.9
173.05986	0.9
173.09734	0.6
174.04964	0.4
175.07614	0.5
179.03468	0.5
185.06029	0.5
185.09712	0.6
187.07655	1.5
189.09221	2.4
191.05632	54.7
192.05975	2.6
193.06488	0.8
195.08170	2.5
198.06871	0.6
201.05527	0.6
211.07692	1.8
213.09184	3.8
215.07188	0.6
229.08708	1.2
231.03004	0.6
231.10164	0.5
275.09402	0.5
276.97592	0.5
291.08984	0.4
293.10306	7.4
294.10593	0.7
319.08185	4.5
337.09299	100.0
338.09647	11.5
358.85376	0.5
369.18564	0.5
440.02298	0.5
480.30219	0.4
501.05252	0.4
511.14590	53.0
512.14893	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	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.2
59.01379	0.9
61.98835	100.0
62.98540	0.3
65.00323	0.2
71.01402	0.5
71.69843	0.2
75.51952	0.1
83.01433	0.2
85.02980	0.4
86.93364	0.2
89.02434	0.4
92.76918	0.1
93.03461	0.8
95.01404	0.1
99.04514	0.2
107.01398	0.2
108.02199	0.2
109.02991	0.6
111.04547	0.4
113.02465	0.2
115.49250	0.2
121.02997	0.4
125.02457	0.2
133.03053	0.4
134.03845	0.2
135.04553	1.4
137.02449	0.4
145.02989	0.4
150.06929	0.4
151.00403	2.1
152.01186	0.2
155.03545	0.2
160.72981	0.1
161.02483	0.6
163.00444	0.4
163.04094	0.2
173.04536	0.7
177.01935	0.4
178.99919	1.0
179.03471	1.3
179.10817	0.3
191.05634	1.4
211.04036	0.3
211.07768	0.2
215.03525	0.2
227.03598	0.4
243.03093	0.6
245.04591	0.3
254.02548	0.3
255.02956	2.8
256.03464	0.3
271.02481	5.1
272.02924	0.5
283.02573	0.2
284.03162	0.3
285.04199	0.6
295.02649	0.5
296.03314	0.3
300.02768	10.0
301.03503	6.9
302.03925	0.9
353.08850	0.4
360.16742	0.2
447.09360	16.2
448.09698	2.6
510.21167	0.3
511.36642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98036	0.2
57.03456	0.3
59.01383	1.2
61.98834	100.0
62.98551	0.2
63.02404	0.3
63.96239	0.5
65.00342	0.2
66.07718	0.1
67.01907	0.1
71.01393	0.6
73.02966	0.2
74.99122	0.4
78.95896	0.1
80.02692	0.2
82.99637	0.4
83.01402	0.2
85.02975	0.3
86.99126	0.1
87.00894	1.0
88.98851	0.6
89.02440	0.3
93.03483	0.6
95.01405	1.7
96.01775	0.3
97.02999	0.2
98.99094	0.3
99.04568	0.3
101.02460	0.4
107.01437	0.6
108.02216	0.5
109.01221	0.1
109.02995	0.5
110.99123	1.7
111.99473	0.4
112.98732	0.3
113.02488	0.3
119.03635	0.1
121.02974	0.9
122.99142	0.4
123.00931	0.5
123.04559	0.2
123.99922	0.4
124.01693	0.3
125.02470	0.8
126.98614	0.2
127.04008	0.1
135.04552	1.0
135.05434	0.1
137.00725	0.3
137.02441	0.2
138.98640	0.3
139.99423	0.4
145.03027	0.2
148.01744	0.2
149.02477	0.3
149.99623	0.3
150.98610	0.2
151.00409	2.7
151.04027	0.1
154.98128	0.5
155.98495	0.2
161.02501	0.3
161.65131	0.1
163.00462	0.5
163.04044	0.1
165.09340	0.1
167.24777	0.1
167.98901	4.4
168.00653	0.7
168.99211	2.0
169.01498	0.3
169.98540	0.5
173.04617	0.4
175.03989	0.2
178.99878	1.5
179.03560	1.0
191.05609	1.4
192.06047	0.2
201.05452	0.1
211.04082	0.4
211.13477	0.6
215.05487	0.2
216.05838	0.3
226.02655	0.2
227.03685	0.6
227.07181	0.3
228.04250	0.2
228.07611	0.3
229.05078	0.2
239.03648	0.2
243.02983	1.2
245.04602	0.5
249.06224	0.5
250.06580	0.4
254.02306	0.3
255.02998	3.7
256.03513	0.5
259.04340	9.2
260.04654	12.4
261.03925	2.4
267.02975	0.3
271.02478	6.4
272.02985	0.7
273.03928	0.2
283.02435	0.3
285.04150	0.4
295.02475	1.1
296.03372	0.5
299.02020	0.2
300.02768	15.0
301.03506	11.4
302.03873	1.2
308.02316	0.1
315.05154	0.4
317.18726	0.2
323.01813	0.1
330.05231	0.1
353.08997	0.5
432.10980	0.1
436.21017	0.2
447.09375	22.8
448.09717	3.9
450.22562	0.2
510.11676	0.3
510.31738	0.1
511.14404	1.0
511.32907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01382	0.5
61.98838	100.0
62.98539	0.3
71.01402	0.2
71.40569	0.3
73.02964	0.2
78.95917	0.2
83.01431	0.2
85.02969	0.3
86.88310	0.1
89.02444	0.2
93.03496	0.6
99.04543	0.3
107.01431	0.3
108.02197	0.2
109.02995	0.4
121.02975	0.9
135.04634	0.2
137.02505	0.3
149.04787	0.2
151.00418	1.4
163.00414	0.5
163.13354	0.1
169.01595	0.2
173.04652	0.6
178.99950	0.8
187.04063	0.2
191.05620	1.2
223.31245	0.2
227.03705	0.2
243.03085	0.5
245.04689	0.2
254.02338	0.2
255.02972	2.5
256.03510	0.3
271.02487	4.7
272.02914	0.5
273.04053	0.2
283.02625	0.2
285.04111	0.3
299.02167	0.3
300.02786	8.7
301.03500	6.5
302.03723	0.8
314.04498	0.3
362.39941	0.2
371.10477	0.2
393.17548	0.2
403.13513	0.2
447.09384	14.1
448.09753	2.3
511.20490	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01375	0.9
61.98833	14.8
63.02404	0.4
65.00333	0.5
71.70109	0.4
72.99324	0.3
83.01388	0.4
83.05053	0.3
85.02944	0.2
93.03465	0.4
107.01390	1.2
108.02190	0.3
109.02971	0.4
114.29221	0.2
121.02969	0.4
123.04587	0.3
133.02974	2.2
134.03711	0.3
135.04533	0.3
148.01668	0.2
149.02444	0.9
151.00395	3.2
151.04030	0.3
151.12677	0.2
152.01126	0.3
161.02443	0.2
167.03531	0.3
173.04543	0.6
173.60559	0.2
175.03999	1.3
179.03537	0.3
183.04407	0.3
191.05646	0.9
191.89780	0.2
199.03979	1.1
200.04704	0.3
211.04137	0.3
212.04695	0.3
213.05637	0.3
215.03444	0.3
217.05104	1.2
227.03467	0.8
241.05031	0.5
243.03053	0.3
255.02953	0.6
256.03799	2.3
257.04367	0.3
267.75504	0.2
283.02518	0.4
284.03268	47.7
285.04031	100.0
286.04395	9.0
297.03970	0.3
327.05060	1.3
362.11414	0.2
447.09335	98.0
448.09674	14.9
451.32907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15395	0.7
61.98838	15.2
65.00313	1.3
69.50722	1.6
69.51239	3.8
107.01390	3.3
107.36810	0.7
108.02199	1.2
109.02969	1.9
121.02969	2.2
144.00571	0.7
148.01720	1.0
151.00409	11.8
163.00375	3.0
178.99918	4.8
201.05626	1.0
211.04065	1.4
226.02765	1.1
227.03450	2.9
229.05092	1.1
239.67433	0.7
243.02982	7.7
244.03203	0.9
245.04494	1.6
254.02209	0.9
255.02975	22.1
256.03467	1.7
271.02478	46.0
272.02866	4.2
273.04022	1.2
283.02396	1.4
300.02771	38.9
301.03534	28.9
302.03864	2.7
304.44525	0.7
431.81268	0.9
447.09344	100.0
448.09689	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	510.089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01370	1.9
61.98835	10.7
68.90327	0.4
71.01382	1.2
71.70528	0.5
81.03496	0.7
83.01392	0.6
85.02966	0.6
88.98775	0.6
89.02470	0.8
93.03473	2.3
99.04493	0.5
101.02442	0.7
107.01407	0.6
108.02181	1.0
109.02992	2.8
111.04536	0.7
114.93936	0.5
119.05056	0.9
121.02986	1.4
125.02464	2.1
133.02975	10.2
134.03683	0.8
135.04523	1.9
137.02492	1.2
146.08182	0.6
147.04530	1.3
149.02509	1.4
151.00374	0.6
151.03973	1.0
152.01164	1.5
153.70526	0.4
161.02473	1.5
163.00407	1.6
163.04071	3.3
165.01947	2.1
168.06685	1.1
173.02556	0.5
173.04579	2.3
175.04008	3.3
177.01979	1.0
189.05597	0.5
191.03546	2.0
191.05630	3.8
193.01442	1.7
198.03278	0.6
199.04008	1.6
201.01979	1.3
203.03535	0.7
206.48416	0.4
209.06001	0.6
211.04025	0.6
212.04681	0.8
213.05598	1.0
225.05614	0.6
227.03593	0.7
237.05612	1.2
240.04338	1.1
241.05194	0.7
248.04778	1.1
251.03490	0.9
253.04933	0.9
255.02956	0.6
255.06644	0.9
264.04257	2.7
265.04987	2.0
267.06729	0.7
269.04639	1.6
270.05322	0.5
271.05856	0.5
281.04611	0.7
284.03284	9.1
285.04031	7.9
286.04318	1.1
293.04599	7.6
295.13370	0.5
297.04059	15.8
298.04767	9.1
299.05630	20.1
300.06003	2.1
309.03955	0.9
311.05566	2.7
312.05850	0.7
324.03268	0.5
325.03696	1.2
327.05121	100.0
328.05463	12.7
328.11383	0.5
337.03619	7.2
339.05130	2.3
341.06766	0.7
357.06201	27.1
358.06482	3.3
369.06042	2.2
393.06079	0.8
447.09351	87.6
448.09689	13.4
466.13391	1.5
510.12039	1.3
511.08740	1.9
521.92291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1667
Annotation	Plumerubroside
Peak:m/z	Relative Intensity
57.03445	1.5
59.01373	2.1
61.98843	0.4
71.01391	2.2
71.05014	0.4
71.69783	0.5
71.70192	0.5
73.02934	0.7
74.99107	0.5
83.01408	0.4
85.02943	1.3
87.00889	0.5
89.02460	1.4
93.03465	4.1
95.01337	0.3
99.04539	0.9
101.02459	2.0
107.05049	0.4
108.02181	0.7
109.02975	2.7
111.04516	0.9
113.02446	1.2
116.92875	0.5
119.03536	0.3
121.02969	3.0
122.03770	9.7
123.00915	0.4
123.04580	2.4
124.01704	2.2
125.02454	0.6
134.03772	4.8
135.04562	4.5
136.01703	5.2
136.05258	0.5
137.02480	5.6
137.06146	0.4
145.02902	0.8
146.08246	1.7
149.02536	0.5
149.06111	0.9
151.04062	1.8
152.01192	0.5
152.04805	0.6
153.01953	0.9
155.03485	0.5
159.04544	0.5
161.02513	0.5
161.04581	0.3
165.01910	1.6
166.02751	5.4
167.03246	0.4
168.04242	0.7
173.04590	9.6
173.06027	0.4
178.02740	12.5
179.03513	13.4
179.05197	0.6
180.04305	1.6
181.01442	7.8
185.83687	0.3
189.05672	0.4
191.05629	4.1
192.04306	0.5
193.05083	5.4
194.05496	0.5
195.02994	3.2
196.03757	1.4
198.01709	8.0
199.02061	0.6
209.04541	0.9
211.07651	1.5
212.03207	2.3
217.12015	0.7
227.07155	0.5
228.02763	4.6
229.08696	1.4
237.05547	0.6
242.04076	0.7
242.06113	0.5
247.09752	1.2
254.05850	0.4
255.06679	4.4
256.07220	0.5
257.08145	0.5
258.08957	1.8
267.06552	0.3
269.08185	0.4
270.08960	3.1
273.08664	0.5
273.11191	2.5
285.07684	1.4
285.11389	1.0
286.05121	0.4
289.06561	0.3
291.08771	1.2
299.05667	1.2
301.07114	1.0
302.07965	1.2
303.12628	0.4
314.07870	2.5
315.08658	0.7
317.06851	0.6
317.10272	6.7
318.10690	0.6
329.10327	6.2
330.10709	0.5
332.09109	1.1
335.07751	0.4
347.11377	100.0
348.11710	13.2
353.08868	0.3
362.19989	0.6
365.18271	0.7
465.14230	0.9
509.13358	0.6
509.22269	0.8
509.29041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2884
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
51.70065	0.4
53.11040	0.4
53.72475	0.4
59.01386	0.7
61.98838	1.2
66.20840	0.4
71.03023	1.0
78.95914	19.7
96.96952	2.0
131.75163	0.5
150.45946	0.4
152.99611	33.6
153.99945	0.7
171.00641	1.5
196.89462	0.6
197.15497	2.5
227.03276	4.7
228.03798	0.5
245.04364	1.1
271.02573	1.1
281.24869	100.0
282.25214	10.9
300.02643	2.6
301.03540	1.3
342.61237	0.4
378.39346	0.5
409.22540	0.5
413.07309	0.4
417.24136	1.2
447.09369	4.7
455.93643	0.5
509.28842	69.5
510.29190	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	509.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
66.00461	0.4
67.01911	0.5
68.44173	0.4
68.99788	0.5
69.03464	1.2
71.01397	1.8
71.71072	0.7
73.02950	0.8
78.95919	3.1
81.03483	0.9
83.05059	0.6
85.02956	6.3
87.00908	2.5
88.98841	1.5
93.03474	6.8
95.01398	0.4
96.96030	1.4
96.96972	4.4
99.00887	3.1
99.04542	1.7
103.05507	0.5
109.02974	1.5
111.00877	0.7
111.04542	3.7
113.02508	1.3
115.00357	0.5
115.05587	0.9
116.92838	0.6
117.02066	0.5
117.03487	3.5
119.05049	3.5
121.03044	0.7
123.00906	1.6
123.04562	0.8
125.02471	0.6
127.04047	1.4
129.01987	0.8
129.03516	1.8
130.04298	1.3
131.05048	5.0
133.02959	2.1
133.05121	0.5
135.04578	2.9
136.89268	0.5
137.02498	1.3
141.03471	0.7
143.03539	1.4
143.05016	3.1
145.02968	7.9
146.03770	7.0
147.04541	19.7
148.04929	1.2
149.06007	0.5
155.03534	3.5
155.04822	0.6
157.02975	3.2
157.06635	0.7
158.03738	2.0
159.04536	21.8
160.04907	1.5
161.02472	4.9
161.06058	1.2
162.03163	0.7
163.04036	5.1
167.03476	0.6
169.03000	0.7
171.04538	3.0
172.01669	1.4
172.05223	1.0
173.02461	14.3
173.04578	10.3
173.06090	2.1
174.03246	9.4
174.04723	0.5
175.04025	32.1
176.04390	2.0
177.05608	2.3
179.03519	1.4
183.04572	1.9
185.02420	6.1
185.06120	1.2
187.04024	12.6
187.07755	0.6
188.04683	1.3
189.01953	4.5
189.05643	2.3
190.02568	0.7
191.03615	3.1
191.05623	40.8
192.05988	1.9
199.04051	3.2
200.04649	0.5
201.01964	8.4
201.05635	2.7
202.02666	2.2
203.03522	29.4
204.03893	2.6
205.05077	1.4
211.04050	1.8
211.07648	1.7
212.04620	0.6
213.01959	8.0
214.02423	0.9
215.03470	2.4
216.00699	3.0
216.04045	0.6
217.01442	37.9
217.05069	3.7
218.01759	2.4
219.02994	2.8
226.02693	0.9
227.03493	1.8
229.01457	7.2
229.05051	4.7
229.08652	0.8
230.02168	2.9
231.02988	100.0
232.03281	7.5
233.04573	1.9
242.02084	0.6
243.02943	4.7
245.00815	0.9
245.04527	0.9
245.08174	1.1
247.02460	5.3
247.06113	0.6
247.09798	1.3
255.03006	2.9
256.98212	0.8
257.00906	15.0
258.01154	1.1
259.02460	1.4
261.03983	1.1
273.04031	19.2
274.04492	2.2
275.01993	5.6
277.03436	0.7
287.01794	0.7
289.03464	0.6
291.05096	18.2
291.08701	4.1
292.05298	2.0
299.02039	4.8
307.04752	2.1
317.03058	13.6
317.06537	1.0
318.03552	1.3
335.04044	6.7
335.07852	1.6
337.05618	0.7
347.07446	0.6
353.08786	0.7
371.09683	0.6
391.06735	1.7
431.06192	0.6
449.06992	1.3
463.08615	0.7
465.14008	1.0
479.08511	0.6
491.07925	2.8
492.08603	0.6
509.09271	62.6
510.09637	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	508.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01387	4.7
61.98840	2.4
67.03019	4.9
67.03328	0.7
69.03461	2.5
71.01385	3.2
71.05006	0.7
71.71465	1.2
72.99334	1.6
73.02971	0.9
75.00883	16.6
78.95937	1.2
80.03828	0.9
81.04586	4.2
82.03002	1.5
84.67259	0.6
85.02967	1.5
86.02509	0.6
87.00906	1.1
89.02455	3.2
93.03484	1.4
93.04601	6.1
94.03033	1.2
97.02937	0.8
98.02502	14.3
99.00901	2.7
99.04547	0.8
101.02467	0.9
107.04942	0.8
108.05692	8.3
109.02988	0.9
110.02495	1.0
110.07243	0.8
113.02450	1.3
115.00417	0.6
117.01981	0.6
118.04121	2.1
119.19363	0.5
120.05711	5.2
121.07701	0.7
123.03252	0.6
125.02485	0.8
126.02004	0.6
134.03629	1.4
135.03027	32.5
136.05190	10.2
136.08839	6.1
137.02527	0.6
137.03552	1.3
138.01932	0.8
147.05663	0.6
148.08812	1.5
153.12878	1.2
154.06255	2.6
164.08304	6.5
166.06290	0.5
169.16013	1.2
173.04578	1.8
173.05930	0.8
174.06760	2.4
178.02933	0.7
179.14417	1.0
180.04124	3.0
181.16013	1.9
183.17668	0.7
187.07730	0.8
190.06198	0.9
191.05661	1.9
191.14290	0.7
192.07814	100.0
193.08170	5.7
195.13901	1.1
196.16949	1.0
197.15488	1.2
202.06094	1.0
210.05186	1.0
220.17091	4.6
224.16626	1.3
229.08688	0.8
230.09213	2.0
231.09761	1.1
232.07280	1.8
236.16525	3.5
237.14836	0.9
248.16531	5.1
249.14790	0.7
251.16628	0.7
252.16135	1.7
260.17090	0.7
262.18188	1.0
264.16043	4.3
265.14316	0.9
267.15976	5.7
280.15546	14.9
281.15857	1.2
290.22498	1.9
292.15652	0.6
300.20932	0.7
304.15738	0.8
328.20306	7.7
329.20731	1.1
330.21860	1.2
334.21326	5.7
344.19766	1.5
346.21381	93.3
347.21689	11.7
353.15927	1.1
360.22833	0.8
368.19873	0.7
374.20810	5.3
375.21011	0.8
386.20889	2.2
388.18750	2.3
390.20352	18.2
391.20648	3.2
410.15326	0.8
411.16406	1.0
418.19888	1.8
446.22980	7.8
447.23370	1.7
490.22476	0.7
494.65353	0.6
505.17752	0.6
508.23724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.8
61.18534	0.8
61.98835	13.5
63.02388	0.8
69.57230	7.1
71.01398	1.9
82.22447	0.8
83.01395	1.2
85.02945	0.9
85.49376	0.7
89.02449	1.1
93.03487	1.4
101.02475	1.4
107.01405	3.3
108.02168	2.0
109.02965	2.3
113.02487	0.8
121.02991	3.5
137.65080	0.7
148.01707	1.6
150.99199	1.0
151.00397	16.4
152.01001	0.7
163.00386	3.4
163.04028	0.9
164.01089	1.3
177.02116	0.9
178.99873	8.1
183.04520	1.6
192.82861	0.8
201.05569	0.9
211.04053	1.7
226.02739	1.3
227.03571	2.2
229.05063	1.5
239.03545	0.8
243.03015	8.0
244.03458	1.6
245.04611	2.5
254.02177	1.8
255.02979	23.4
256.03510	2.0
271.02478	47.4
272.02829	4.9
273.04224	2.1
283.02557	2.1
299.01987	1.5
300.02771	77.6
301.03531	100.0
302.03989	7.9
348.85785	0.9
445.07767	97.1
446.08221	15.7
447.25827	1.4
507.28085	2.6
508.28760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03443	3.4
58.00595	2.7
59.01384	100.0
61.98836	9.3
69.03478	1.3
71.01391	53.6
71.71287	1.6
72.01740	1.9
72.24281	1.2
72.99295	2.2
73.00149	1.2
73.02957	7.9
78.95956	1.5
83.01404	3.6
85.02964	11.4
87.00880	3.1
87.85825	1.4
88.98832	2.1
89.02458	62.6
93.03487	3.8
95.01415	2.2
97.79092	1.2
99.00892	6.0
101.02460	42.1
107.48875	1.4
109.02989	1.9
111.04441	1.3
113.02477	20.4
114.02836	1.2
119.03519	14.5
125.02471	4.2
131.03539	41.2
132.03853	1.5
134.72226	1.4
135.04532	5.2
137.00607	1.3
143.03545	3.6
149.04582	31.3
153.00673	1.4
161.04575	4.8
173.04565	4.3
173.06030	2.2
179.05673	17.0
187.04115	1.7
187.07791	2.1
191.05614	17.9
201.05544	4.3
202.06421	2.8
209.11797	1.6
211.13359	1.5
219.03084	2.6
229.08687	5.6
230.09406	3.1
233.06631	1.3
248.75322	1.6
251.07756	1.8
315.18179	8.5
363.20288	3.2
374.06369	2.0
409.15015	1.9
410.15942	3.9
435.20486	1.6
447.22333	47.9
448.22699	8.0
463.25635	2.7
479.23080	2.1
507.21756	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	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28588	0.9
55.01873	1.1
57.03451	2.5
58.00584	1.9
59.01383	73.1
61.98837	22.0
64.65419	0.9
67.03030	0.9
69.03454	1.6
70.47811	4.1
71.01389	60.0
71.54382	1.0
72.01722	2.0
72.99319	3.0
73.02940	7.8
73.03292	1.0
75.00877	3.3
78.95914	2.9
81.03435	1.0
83.01407	2.5
85.02969	11.6
87.00877	2.9
88.98810	3.2
89.02455	52.0
92.85836	0.7
93.03471	4.1
93.04623	0.8
95.01410	1.9
96.96951	0.8
97.02968	1.6
98.02483	2.2
99.00893	8.8
99.04556	1.7
101.02459	34.3
103.01884	0.9
108.05665	1.4
109.02934	1.1
111.00873	0.8
113.02478	17.8
114.02798	0.9
115.04014	1.0
119.03525	13.6
120.05692	1.2
121.02983	1.3
125.02478	3.5
125.03337	0.8
131.03526	14.7
134.03761	0.8
135.03012	8.2
135.04556	1.9
137.02472	3.8
143.03522	2.8
145.02959	1.5
149.04575	10.9
151.96501	0.9
153.01970	1.3
155.03329	0.8
158.40916	0.8
161.04596	5.2
163.59975	1.0
172.05156	0.9
173.04593	3.8
175.04123	1.0
177.01959	1.6
179.03522	1.5
179.05649	5.5
180.04225	1.0
183.13889	1.1
191.05623	8.2
192.07794	9.1
201.05646	1.4
202.06387	1.4
221.74649	1.0
229.08675	2.4
230.09464	1.9
248.16606	0.9
251.07719	1.5
259.18985	1.1
280.15482	1.8
299.16220	1.0
315.18124	14.7
316.18604	1.0
321.81024	0.9
327.16141	1.4
332.50894	0.8
334.21222	1.4
344.19632	1.0
346.21426	8.2
363.20285	5.0
371.25562	1.0
374.20609	0.9
390.20416	1.6
405.21292	1.8
409.14816	1.3
410.15652	1.8
430.20361	0.9
435.20297	3.4
447.22339	100.0
448.22641	16.5
479.22900	5.5
480.23245	0.9
507.22565	13.4
507.30167	2.0
508.23026	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	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12320	0.6
55.01886	1.0
57.03457	1.3
58.00591	1.5
59.01381	100.0
60.01726	1.0
61.98833	25.0
69.88506	3.5
71.01388	43.5
72.01723	0.7
72.99306	2.7
73.02968	3.9
83.01416	2.8
84.01669	0.7
85.02964	9.6
87.00900	2.7
88.98828	1.2
89.02454	58.4
93.03494	0.7
93.32494	0.5
95.01418	2.5
97.02959	0.7
98.19919	0.7
99.00888	2.8
101.02461	35.4
102.02826	0.6
113.02463	18.3
114.02868	0.8
117.83489	0.6
119.03519	20.5
125.02474	1.3
129.02081	0.7
131.03525	39.1
132.03903	1.4
135.04523	0.8
137.02481	0.8
143.03548	4.6
149.04576	11.7
150.23042	0.5
161.04573	5.5
162.19408	0.6
173.04639	0.9
179.05617	12.9
191.05632	8.1
221.06789	0.8
251.07837	0.7
311.10199	0.9
315.18140	62.2
316.18491	6.1
326.69189	0.6
362.74988	0.6
447.22342	65.6
448.22760	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	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.3
59.01087	4.4
59.01386	74.4
61.98835	19.1
71.01392	53.8
71.69978	3.5
72.99288	3.6
73.02950	13.6
74.97287	2.1
78.95914	6.3
83.01408	2.4
85.02975	16.9
87.00872	4.7
89.01912	4.1
89.02457	72.9
90.02837	3.1
93.03490	7.4
95.01426	3.8
99.00889	14.4
101.02454	42.2
107.38565	2.1
109.02979	3.1
111.04524	2.6
113.02480	19.8
119.03546	9.3
119.05064	13.8
125.02460	5.9
131.03534	13.3
135.04562	3.5
136.85373	2.7
137.02495	3.2
143.03566	4.4
145.02951	3.9
149.04590	40.1
161.04529	6.7
161.05867	2.1
163.04059	7.0
168.23999	2.3
172.05312	2.7
173.04588	7.3
179.03502	3.1
179.05682	7.7
187.04019	3.7
191.05643	19.2
201.05634	4.8
201.09276	2.8
202.06464	4.3
209.11850	5.4
229.08690	7.8
230.09468	8.9
251.07785	2.8
267.19684	24.5
293.17645	10.2
311.18689	13.4
315.18311	5.3
386.10168	4.9
409.14914	3.1
410.15793	8.2
447.22336	100.0
448.22552	13.8
507.21201	4.3
507.31546	10.1
508.23096	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	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50129	0.6
55.01877	1.7
57.03459	1.4
58.00596	1.7
58.54953	0.7
58.64563	0.8
59.01382	100.0
60.01721	1.6
61.13323	0.8
61.98836	12.2
66.40983	0.8
70.87130	1.3
70.87468	1.0
71.01391	44.2
71.11709	0.7
72.01746	0.8
72.99313	2.1
73.02956	6.7
82.89264	0.7
83.01411	2.5
85.02966	12.1
87.00915	2.2
88.98860	1.0
89.02460	50.6
90.02784	0.8
93.03438	1.4
95.01431	2.3
99.00909	3.9
101.02466	33.6
102.02806	1.1
113.02475	19.5
119.03530	16.8
125.02492	1.7
125.58265	0.7
131.03528	39.3
132.03909	1.4
135.04546	1.2
136.69386	0.7
137.02432	0.9
143.03514	4.8
149.04587	12.8
151.18317	0.7
159.03105	0.9
161.04581	7.4
173.04630	1.2
179.05644	11.2
191.05649	7.6
207.71631	0.8
315.18140	51.3
316.18536	6.8
343.57013	0.8
411.49118	1.0
447.22272	72.0
448.22668	10.8
465.26797	1.0
483.73224	0.8
485.26080	0.8
507.28201	2.9
508.29031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62348	0.2
59.01370	0.4
61.98819	0.7
63.02396	0.3
65.00327	3.6
67.01891	0.3
70.86765	0.7
85.02917	0.3
89.00349	0.6
91.01910	0.7
92.99835	0.4
93.03431	0.6
95.01395	0.6
107.01392	0.3
109.02981	0.4
110.00130	1.5
111.04506	0.4
116.92879	1.5
117.03493	0.6
119.01404	0.6
119.05040	0.7
120.99346	0.4
121.02970	0.3
124.60362	0.2
131.03796	0.9
132.02179	7.7
133.03000	3.5
133.05354	1.1
135.00912	3.0
135.04550	0.9
136.98833	5.3
137.02440	0.6
145.02994	2.0
146.03735	0.3
147.04543	3.3
156.02151	0.4
157.02902	0.3
158.03741	1.1
159.04533	0.3
160.04060	0.4
161.02449	0.6
162.03172	0.3
163.00394	7.3
163.04063	1.4
164.01068	0.3
164.98311	3.4
165.99112	1.8
169.02855	0.3
170.03717	2.1
171.04538	0.5
172.01659	0.5
173.04576	0.7
173.05988	0.3
174.03203	1.0
175.03986	0.3
176.01132	0.5
177.09375	0.2
178.06360	0.6
179.01947	0.2
182.03738	1.1
183.04468	0.5
185.02454	1.0
185.06047	0.3
186.03206	1.5
187.03978	0.3
189.05460	0.3
191.03546	0.9
191.05609	1.7
193.08757	0.8
197.02493	0.8
198.03241	4.3
199.04012	4.8
200.01111	0.6
201.02005	1.7
202.02704	0.8
203.03496	0.3
211.03961	0.4
211.07582	0.4
213.01959	1.1
213.05579	0.3
214.02719	4.7
215.03436	1.2
217.05139	0.5
225.01892	0.3
226.02728	3.3
227.03548	2.4
229.01439	1.5
230.01947	0.3
230.05855	0.4
236.07196	0.7
237.07928	0.7
238.08736	6.3
239.09175	0.5
241.01471	1.1
242.02206	6.7
242.04588	0.5
243.02928	2.3
246.01859	0.4
253.01437	0.6
254.02179	0.8
255.02925	1.8
257.00888	2.2
257.04550	0.6
268.06088	1.1
268.09518	0.6
269.00928	4.3
270.01685	18.2
271.02325	4.5
281.00919	0.4
282.01712	2.9
283.02319	0.8
284.03271	0.3
285.04053	9.5
286.04449	1.4
295.02353	0.3
298.01205	29.2
299.01920	19.6
300.02472	2.4
313.03534	100.0
314.04260	68.1
315.04654	6.2
333.17172	0.3
353.08673	0.3
415.24918	0.4
479.22345	0.4
507.12988	2.5
507.29373	1.2
508.13351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2573
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.53873	0.4
55.86225	0.3
57.25654	0.3
59.01394	1.6
59.01628	0.3
62.96389	0.4
64.89207	0.3
70.21184	0.5
70.21574	1.1
78.95911	26.8
87.70092	0.4
96.96992	2.1
97.11466	0.3
98.19903	0.4
98.20458	0.7
118.20528	0.4
125.36555	0.3
150.98070	0.7
152.99611	43.5
153.99907	0.7
171.00644	2.1
182.13179	0.5
227.03291	5.8
233.22791	0.5
245.04324	1.5
275.20038	0.6
277.21725	100.0
278.22070	13.0
359.88974	0.4
413.21072	1.3
505.25717	77.7
506.26059	14.7
506.33609	0.7
519.54742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.9
59.01382	0.8
61.98830	1.6
62.97710	0.7
64.66963	0.6
66.03496	4.7
67.01892	2.5
68.05054	2.5
70.44626	2.6
77.93655	0.6
82.06601	1.1
82.11594	0.6
83.05041	2.2
84.04546	3.4
85.06572	0.7
92.05069	0.8
94.03005	2.0
100.04058	32.0
102.05628	8.7
110.09764	1.0
112.04061	8.2
136.07693	3.6
144.03024	2.2
153.12865	10.7
154.08769	6.5
162.80316	0.8
169.15988	6.4
171.13927	1.9
195.17555	100.0
196.17909	8.2
196.20836	0.8
197.15450	1.7
204.17645	0.8
205.15945	1.8
207.17572	1.6
209.19164	1.2
214.82265	0.8
215.02977	0.8
220.17108	1.2
222.18620	16.0
223.18930	1.3
236.20143	1.4
246.18649	4.7
246.22365	1.5
247.16867	0.8
248.20157	1.1
264.23325	24.1
265.23593	3.5
271.82706	0.8
272.19992	0.7
281.28488	13.6
282.28836	1.6
290.21204	4.7
291.21939	0.8
307.30038	1.6
308.22314	29.7
309.22504	4.0
349.31125	96.5
350.31430	16.2
358.31174	21.3
359.29932	2.9
376.32196	17.6
376.36819	0.9
377.32532	3.2
400.35889	11.2
401.36313	2.5
402.33716	0.8
418.36935	26.2
419.37164	4.8
444.34799	5.0
445.35016	1.1
462.35895	79.7
463.36264	15.4
488.33295	0.8
506.34711	3.5
507.35248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03459	6.5
58.00591	2.0
59.01384	80.6
60.93246	0.9
61.98516	1.4
61.98835	27.8
67.64677	0.9
69.03456	2.1
70.85242	2.0
70.85640	2.2
71.01392	66.2
71.65365	0.9
72.01716	1.1
72.99318	3.4
73.02956	17.6
74.15960	0.9
75.00861	1.7
75.20367	0.9
79.68200	0.8
81.47410	0.9
83.01399	9.3
85.02962	23.0
87.00910	5.0
88.98829	1.3
89.01910	2.2
89.02460	42.7
93.03460	4.8
95.01418	2.2
97.02957	2.7
99.00900	9.8
99.04513	3.4
101.02460	47.8
102.02782	2.5
109.02971	2.1
111.00888	3.3
111.04490	1.8
113.02475	26.7
115.03999	1.4
116.92902	1.0
119.03513	7.8
119.04965	1.0
125.02467	4.8
127.13171	1.1
129.01915	1.2
131.03535	34.6
132.03879	2.1
133.02998	2.9
134.03714	1.0
135.04561	2.7
137.02429	3.2
143.03471	4.3
145.02908	1.7
149.04587	26.6
149.05791	1.0
150.66071	1.0
159.03009	1.9
161.04587	12.9
163.03908	1.1
173.04549	8.7
176.86301	1.0
177.01900	2.8
179.03555	1.2
179.05615	2.2
191.05643	16.3
209.11882	1.1
233.06673	2.0
236.65680	1.0
251.07768	1.1
270.20221	1.2
271.02332	1.6
293.08557	1.3
313.16574	42.4
314.16962	4.2
331.15439	1.0
342.03897	2.0
343.04605	3.4
361.18765	2.5
403.19693	2.5
445.20810	100.0
446.21158	14.9
505.09943	3.6
505.26550	3.8
505.33694	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	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69548	1.0
53.47859	1.1
55.01868	3.7
57.03450	8.1
58.52039	1.1
59.01383	40.4
61.98835	17.5
69.03468	1.5
71.01390	53.7
71.69930	1.6
72.99322	1.8
73.02959	16.9
75.00864	2.2
75.36951	1.3
83.01394	8.0
83.05004	1.6
83.32883	1.2
85.02962	19.7
87.00892	4.9
88.98782	1.6
89.02459	34.2
93.03455	6.1
95.01382	2.9
96.96044	1.2
97.02977	2.7
99.00897	11.6
99.04543	5.3
99.92603	2.1
101.02463	36.8
109.02978	3.5
111.04547	1.6
113.02454	19.5
115.04050	1.8
115.92085	1.8
119.03498	5.4
125.02451	5.9
131.03468	6.1
133.02986	1.9
134.03636	1.3
135.04520	2.7
137.02463	4.1
138.45763	1.3
143.03465	2.2
146.52322	1.3
149.04579	13.7
152.03619	1.4
159.02998	1.8
161.04576	10.4
163.04048	1.8
173.04544	11.1
174.04967	1.2
177.01959	4.4
191.05617	13.8
192.06035	1.3
193.08789	1.7
194.08971	1.9
209.11852	2.1
210.12079	1.5
233.06554	2.0
256.09787	2.8
257.10056	3.4
259.32495	1.3
293.08890	2.2
313.16608	27.7
314.16718	2.3
356.44690	1.4
361.18607	3.5
445.20782	100.0
446.21048	17.0
449.14359	1.3
461.23535	1.3
487.04709	1.3
495.70300	1.3
504.71442	2.2
505.26495	2.0
505.33136	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	504.136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16767	0.3
57.03453	0.9
59.01377	2.7
61.98834	100.0
66.33920	0.3
67.01916	0.4
71.01394	1.8
71.40257	0.5
73.02968	0.6
83.01409	0.5
85.02975	1.6
87.00890	0.4
89.02452	0.7
89.21700	0.3
93.03490	2.2
94.03803	0.5
99.04536	0.9
99.70741	0.3
101.02478	1.1
109.02999	0.5
111.04542	0.6
113.02494	0.6
116.92912	0.3
131.03568	0.5
135.04572	1.1
137.02478	0.5
140.21413	0.3
155.03540	0.4
155.10030	0.3
161.02419	0.2
163.04022	5.8
164.04457	0.3
173.04584	3.8
174.04936	0.8
177.01974	0.5
178.06378	6.7
179.06764	0.3
191.05623	5.6
192.06023	1.0
193.08716	12.2
194.09105	0.8
209.11893	1.2
256.09933	0.3
272.09604	0.4
283.13535	0.8
284.13882	0.3
327.16122	0.5
330.14130	0.3
433.55591	0.3
445.20865	0.6
476.61984	0.3
503.19592	0.3
503.32428	0.5
504.20197	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	505.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01374	2.5
60.10995	0.3
61.98824	0.8
63.02394	2.2
65.00326	5.9
65.00878	0.3
66.06667	0.3
66.41547	0.3
67.01894	0.7
69.03452	0.5
71.01399	0.6
71.63685	0.3
71.71999	0.5
78.95906	0.3
79.32582	0.3
83.01393	3.9
83.05011	0.4
84.01675	0.3
85.02971	0.8
87.00885	0.7
93.03463	4.8
95.01408	1.5
99.00861	0.3
105.03501	0.5
107.01402	10.2
107.05058	0.7
108.02248	0.4
109.02973	0.6
111.00903	0.9
111.04538	0.7
117.02643	0.5
117.03481	9.2
118.03806	0.3
119.05043	27.6
120.05389	1.3
120.24947	0.3
121.02963	1.8
122.03704	0.3
123.00912	1.1
123.04550	1.1
124.01688	7.5
125.01628	0.4
125.02480	5.5
127.24870	0.3
132.02222	0.4
133.02979	1.3
134.03734	1.1
135.04562	3.4
136.01691	0.8
137.02487	2.0
139.00389	1.0
141.01936	0.5
145.02980	16.4
146.03546	0.7
147.04538	1.1
149.02448	0.7
149.99567	0.3
151.00391	39.8
152.01178	24.3
153.01881	1.6
153.41658	0.3
155.03555	0.6
155.94452	0.3
159.04514	0.6
160.01622	0.7
161.02466	5.1
162.03232	5.2
163.00392	1.0
163.04028	26.6
164.01212	0.6
164.04327	1.4
164.48303	0.3
169.01459	4.8
171.04424	0.4
172.05290	0.3
173.02406	2.4
173.04581	5.1
174.03244	0.6
174.04849	0.4
175.04018	0.6
177.02000	0.5
177.05591	3.2
178.99876	37.3
180.00198	2.2
183.04541	0.4
187.03928	0.6
188.01131	0.7
189.01938	2.9
189.05582	0.5
190.02753	3.4
191.03500	6.5
191.05602	4.3
191.07303	0.5
192.00633	0.9
192.03822	0.5
193.01422	1.3
199.03928	0.6
201.05618	0.3
205.01395	0.4
207.02991	0.5
209.05983	0.4
209.11826	0.4
211.04007	0.7
211.13255	0.4
212.04768	0.3
213.05702	0.7
214.06104	0.3
215.03493	1.1
217.01413	6.0
218.01712	0.5
225.05562	0.6
227.03577	1.5
228.04285	0.3
229.05061	0.6
237.05629	0.4
239.03453	1.6
240.04092	0.4
241.05035	1.2
243.02950	1.2
251.03423	0.3
253.05060	0.8
255.02878	0.8
256.03781	0.5
257.04507	2.3
267.02954	1.0
268.03610	0.5
269.04602	3.2
270.05124	0.8
271.02481	9.7
271.05539	0.5
272.02893	1.2
279.03027	0.7
280.03714	0.4
281.04617	1.4
285.04050	8.3
286.04681	2.2
287.05576	0.4
295.02493	1.5
296.03238	3.8
297.04025	9.9
298.04428	1.3
299.01944	3.8
299.05322	0.5
300.02689	3.2
301.03284	0.5
313.03561	2.1
314.04315	31.2
315.04816	5.5
324.02740	1.5
325.03525	8.8
325.07321	0.6
326.03836	1.2
327.12238	0.6
342.03830	5.4
343.04596	22.9
344.04947	2.8
352.07700	0.3
353.08664	0.4
385.05725	0.4
404.12976	1.4
410.12820	1.0
410.63147	0.3
428.08582	1.2
428.58771	0.4
477.10458	0.5
487.08667	0.6
491.15579	1.2
491.65494	0.4
505.09760	100.0
505.18491	37.6
506.10092	19.3
506.18826	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	503.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
61.98820	2.2
65.03980	0.5
70.86060	1.3
71.01384	0.6
71.87334	0.5
73.02952	1.8
73.23342	0.4
78.95911	0.7
81.03453	0.9
83.05023	1.2
88.98827	0.6
93.02923	0.8
93.03468	9.2
94.03852	0.6
99.04498	0.7
105.07137	1.1
106.04308	0.6
107.05043	1.6
111.04532	1.7
116.27085	0.4
116.92859	0.8
119.05016	0.7
121.02982	0.6
121.06629	2.5
123.04481	0.5
130.04179	0.5
131.05028	0.4
132.02165	1.1
133.03020	0.8
134.03767	7.1
135.03023	0.5
135.04456	1.0
137.02507	2.7
144.46208	0.5
146.03772	2.5
147.04547	4.5
148.05336	11.3
149.06108	27.2
150.06442	1.8
153.01923	0.5
155.03497	0.6
160.01678	1.5
161.02449	1.5
162.03220	2.1
169.16048	1.4
172.05296	0.6
173.04622	2.2
173.05899	0.5
174.03235	4.3
175.04018	6.9
176.04811	5.9
178.02768	0.5
180.04288	1.3
190.06393	0.5
191.05597	0.7
200.08441	0.5
206.02136	0.5
259.17090	0.5
265.14511	0.9
285.18591	2.0
301.18201	2.5
303.19647	64.6
304.19983	7.6
317.53918	0.5
329.17575	25.1
330.17978	3.1
347.18655	65.4
348.15039	0.9
348.18997	9.2
459.24353	0.5
503.22858	100.0
504.23224	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	503.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08551	0.2
55.01886	0.4
55.13930	0.2
57.03448	0.8
59.01371	0.9
61.98838	0.4
65.03977	0.5
66.92965	0.2
67.01862	0.3
69.03459	0.5
71.01370	0.9
73.02958	2.3
78.95908	0.6
81.03456	1.4
83.05029	3.1
85.02955	0.7
93.03471	22.5
94.03800	0.7
95.01395	0.5
97.02952	0.3
99.00885	1.0
99.04526	0.8
107.05049	1.1
109.02976	0.7
111.04539	6.9
113.02493	0.3
119.05084	0.6
121.02979	0.6
121.06616	1.4
122.32674	0.2
123.04536	0.6
128.29022	0.2
130.04224	0.3
131.05016	0.6
131.78662	0.3
131.87779	0.2
132.02147	0.7
133.02986	1.0
134.03773	5.3
135.04533	0.5
137.02467	10.6
138.02815	0.6
143.03563	0.3
145.02986	0.3
146.03784	0.7
147.04535	5.0
148.05339	2.2
149.06104	21.3
150.06464	0.9
154.18672	0.3
155.03532	7.4
157.02943	1.1
158.03749	1.1
159.04503	1.4
160.01646	0.6
161.02473	2.0
162.03212	0.4
169.16035	1.4
171.04515	0.5
171.13904	0.6
172.05328	14.8
173.02484	0.8
173.04582	2.9
173.06062	16.3
174.03238	6.4
174.04721	0.3
174.06348	1.3
175.04022	57.5
176.04634	6.6
177.01781	0.3
177.05211	0.5
185.06091	6.4
186.06860	2.4
187.03917	0.3
187.07283	0.3
188.04778	0.8
189.05486	0.5
191.05663	1.8
193.05000	0.3
197.15524	0.4
199.07529	0.3
203.03558	0.4
204.04260	1.6
207.10248	0.4
209.11813	0.3
227.03552	0.3
229.35936	0.3
238.74500	0.2
257.19092	0.4
261.18448	0.3
270.16245	0.4
274.15591	0.3
275.20117	0.6
283.13684	0.6
283.17032	1.4
284.17590	0.4
285.18600	100.0
286.18936	13.8
287.16571	5.4
288.17145	1.6
301.14297	0.2
301.17978	0.4
303.19659	76.4
304.19983	9.8
327.18253	0.6
329.17587	34.7
330.17938	4.4
345.16940	0.4
347.18646	8.9
348.19031	1.2
349.05527	0.4
405.49045	0.2
415.24719	0.3
459.23712	0.4
475.19794	2.6
476.20322	0.6
485.21802	7.4
486.22244	1.2
503.22864	82.3
504.23215	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	503.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.2
58.00266	0.3
59.01383	3.1
60.99310	13.8
61.98823	0.7
70.09627	1.2
71.01389	0.6
80.74940	0.3
85.02947	0.4
88.98818	100.0
89.02468	0.5
89.99142	0.9
93.03465	0.5
99.04529	2.8
101.02451	1.1
121.87123	0.3
125.02458	1.4
138.50600	0.3
148.63176	0.3
151.00404	1.1
161.04622	0.4
173.04662	0.4
191.05632	1.0
227.03470	0.4
243.03105	0.4
255.03108	0.4
269.10358	0.7
271.02472	1.3
273.80609	0.3
300.02817	1.0
301.03568	4.6
311.02045	0.9
311.11407	0.4
327.01587	0.3
384.82718	0.3
413.14343	1.9
503.08578	1.0
504.11234	2.2
511.83902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.3
59.01384	15.3
65.03967	1.0
69.89306	5.3
71.01381	3.4
75.00863	0.9
78.95904	1.2
83.05029	3.5
85.02958	2.4
87.00893	5.2
89.02432	1.8
93.03474	2.0
95.01369	1.0
95.05069	0.9
99.04498	0.8
101.02454	3.0
107.05041	2.4
109.02972	1.5
109.06621	1.2
111.04552	1.4
111.08194	1.7
113.02470	4.5
119.03522	1.5
119.08662	0.8
121.06596	1.5
123.08183	10.1
124.05318	1.1
125.06107	5.6
134.03738	0.8
135.04578	4.3
137.06113	1.1
137.09680	1.4
139.07684	1.1
145.10269	1.0
151.07600	1.8
153.05559	1.6
153.09210	0.8
161.02478	1.3
161.04538	1.0
169.08862	1.0
171.11815	11.9
173.04562	1.8
175.11240	0.8
177.05585	0.8
179.03555	2.1
179.52911	0.8
189.12956	3.9
191.05609	7.1
201.12894	3.2
204.32434	0.7
207.13901	1.9
219.13940	1.8
237.14984	16.2
238.15305	1.4
261.14975	1.0
281.13950	100.0
282.14240	8.6
295.15536	2.5
305.13965	9.2
306.14139	0.9
323.15057	8.1
335.15259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41410	0.3
57.03430	0.7
59.01383	5.7
61.98841	0.6
69.37254	4.8
71.01388	3.1
72.99312	0.5
75.00886	0.5
78.01546	0.4
79.52371	0.4
82.25944	0.4
83.05021	0.6
85.02953	2.0
87.00885	1.1
89.02439	2.5
93.03450	2.8
95.01421	0.4
96.96008	1.0
98.19839	0.9
101.02474	1.1
105.36584	0.5
107.05029	1.2
109.02956	1.4
111.00919	0.7
111.04495	0.6
113.02457	1.6
117.03493	1.3
119.03540	0.6
119.05009	0.5
121.02962	0.5
123.04512	0.8
123.08181	0.6
132.02203	2.1
133.02985	18.7
134.03427	0.7
135.04549	46.0
136.04910	2.7
137.02449	2.5
139.00343	0.5
148.05211	0.5
149.06122	1.8
155.03516	0.5
159.04498	0.5
160.01697	2.6
161.02466	100.0
162.02800	6.4
163.04057	0.6
164.80753	0.4
171.11810	1.1
173.04581	3.5
175.04062	0.7
177.05608	2.6
179.03517	69.6
180.03909	3.9
191.05632	10.8
197.09770	1.6
203.03497	2.6
221.04581	3.6
233.04524	0.4
237.14935	1.6
243.06442	0.4
251.05539	0.7
260.88828	0.4
263.21777	0.4
269.08405	0.5
281.06674	1.1
281.13965	9.6
282.14200	1.0
297.07803	0.5
305.14032	1.1
311.05618	0.6
323.07678	6.8
323.14874	1.3
324.07996	0.8
330.10193	0.5
341.08795	74.6
342.09152	7.4
349.61493	0.4
353.08752	1.6
365.08887	0.5
383.09698	0.6
443.11838	0.7
489.40198	0.5
503.14075	20.4
504.14325	3.3
513.31091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39479	1.6
59.01379	4.6
61.46670	1.5
61.98834	39.7
69.03456	19.9
71.01391	2.3
71.05029	2.2
72.99318	1.5
75.00883	18.7
78.95926	13.9
82.03006	3.3
84.04558	2.7
85.02930	2.1
94.02997	4.0
101.02428	1.4
104.67638	1.3
110.02502	2.1
118.06668	2.1
124.00432	2.3
126.60280	1.7
135.03026	35.2
138.01962	3.0
140.01178	4.6
143.15523	1.4
147.46477	1.6
152.99629	2.6
176.07230	2.5
181.15999	5.3
196.03699	7.9
197.19202	1.8
206.19159	3.0
207.17566	5.8
209.19087	11.2
224.20120	8.4
229.43842	2.1
248.20197	8.5
252.19720	8.7
262.18307	1.9
264.19666	4.6
265.18124	1.8
276.19614	5.1
280.19202	99.3
281.19513	10.3
294.20712	3.2
305.24875	50.2
306.25232	6.4
308.18692	79.9
309.19086	7.3
320.18613	3.5
328.26260	1.8
340.26535	5.7
375.13080	1.7
380.25906	1.8
384.25467	100.0
385.25797	16.7
387.29575	1.7
398.27069	4.3
412.24969	57.1
413.25229	8.2
416.24335	4.7
424.25018	17.1
425.25562	3.2
442.26160	4.5
502.29446	21.2
503.30127	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	502.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30283	0.1
57.03421	0.4
59.01382	2.2
60.50525	0.1
61.98831	1.0
65.50117	0.2
71.01403	1.2
71.69956	0.3
83.01399	0.2
87.22411	0.2
88.98811	1.0
89.02465	1.0
90.83664	0.2
93.03483	0.8
99.04484	0.3
101.02415	0.6
109.02914	0.4
111.04453	0.3
113.02409	0.4
117.48217	0.2
119.03506	0.3
125.02441	0.3
133.02859	0.2
134.03569	0.1
135.04536	0.9
137.02397	0.2
145.02864	0.3
151.00484	0.2
155.03493	0.3
161.02426	0.6
161.04524	0.3
171.71730	0.1
173.04648	1.0
178.05099	0.2
179.03525	0.4
191.05684	1.6
197.06021	0.2
209.06020	0.4
224.04646	0.9
225.05571	7.0
226.05954	0.5
237.05534	0.5
238.02737	0.2
239.03391	0.2
239.07153	1.7
240.07841	0.3
252.04193	0.2
253.05061	8.6
254.05409	0.9
254.08003	0.3
255.02937	0.2
265.05026	0.6
267.06586	1.1
268.07413	5.5
268.10223	0.3
269.07770	0.6
281.07053	0.3
282.07730	7.1
283.08109	0.6
296.09201	1.2
300.06464	0.9
301.03293	0.4
307.08517	0.2
308.09250	0.3
309.06348	0.2
310.07220	11.7
311.07547	1.3
324.08710	1.6
325.09573	59.6
326.09912	7.5
326.13080	0.1
339.05328	0.2
340.11932	100.0
341.12256	14.3
446.08572	0.3
464.62570	0.2
502.17090	0.3
503.19037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17130	0.2
52.92339	0.2
57.03450	0.8
57.07125	0.2
59.01381	100.0
60.01720	1.5
61.98839	3.1
67.01913	0.4
70.61585	0.3
70.61935	1.0
71.01382	1.3
73.02967	0.4
78.95914	0.4
83.01408	0.4
85.02954	0.5
87.00871	0.3
88.29198	0.2
88.98820	0.5
89.02479	0.9
93.03455	1.4
96.96023	2.9
96.96999	0.4
99.04540	0.4
99.54986	0.3
101.02453	0.7
108.27898	0.3
109.02992	0.5
111.04556	0.5
112.09619	0.3
113.02499	0.4
119.05038	0.4
125.02438	0.4
135.04538	0.9
137.02539	0.5
139.04106	0.2
145.03160	0.3
151.00375	0.4
154.43800	0.3
161.02444	0.5
169.89389	0.3
173.04599	1.1
177.02022	0.4
179.03557	0.8
191.05663	1.9
256.10312	0.3
271.02740	0.3
300.02808	0.5
301.03555	0.8
339.11063	0.5
341.06735	0.5
343.73990	0.3
441.24881	0.3
445.07901	0.5
457.35812	0.3
465.12250	0.7
465.21207	0.3
501.08139	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01383	100.0
60.01717	1.1
61.98840	1.6
70.86057	0.6
71.01396	0.8
73.02972	0.4
78.95923	0.6
81.03479	0.2
83.01408	0.2
85.02999	0.4
89.02475	0.4
91.70564	0.2
93.03474	0.9
99.04543	0.9
101.02472	0.5
111.04523	0.3
113.02512	0.4
119.03545	0.2
125.02492	0.4
135.04520	0.3
137.02467	0.2
140.01260	0.2
141.08290	0.2
141.09201	0.9
165.05612	0.5
173.04549	1.3
179.03688	0.2
180.07901	0.4
189.19948	0.2
191.05624	1.0
195.10336	0.4
283.13568	0.3
293.54837	0.2
399.24039	0.5
422.46674	0.2
441.24966	0.3
501.34656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01387	2.2
60.99311	13.3
61.98832	3.1
71.01386	1.5
71.71318	0.4
72.99319	0.4
73.02952	0.5
75.00905	0.2
78.46303	0.2
83.01417	0.4
84.27050	0.3
85.02963	0.7
87.00890	0.5
87.54668	0.2
88.98820	100.0
89.02464	0.7
89.99154	1.3
93.03479	2.6
99.04519	0.4
101.02474	0.8
108.02207	0.3
109.02973	0.7
111.00918	0.6
111.04529	1.0
113.02456	0.7
119.03519	0.3
119.05061	0.5
121.02967	0.4
125.02454	2.0
125.75350	0.2
127.04063	0.2
133.02998	0.7
133.78105	0.3
134.03732	0.3
135.04568	1.6
137.02492	1.3
137.39801	0.3
138.02873	0.3
146.08281	0.2
149.02429	0.3
151.04047	0.3
152.01151	0.4
153.01920	0.4
155.03574	0.6
161.02513	0.6
161.04585	0.4
161.49605	0.2
165.01955	0.2
173.04579	2.4
173.05904	0.4
179.00073	0.4
179.03540	1.0
187.07603	0.3
188.07988	0.3
190.02818	0.4
191.05641	2.3
191.71524	0.2
192.06050	0.3
205.05101	0.3
215.07260	0.3
267.06854	0.5
274.15411	0.3
285.04120	0.5
293.04575	0.3
335.07837	0.4
357.11832	0.5
411.16733	0.7
465.10364	2.5
466.10931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21982	0.6
59.01372	2.0
66.05696	0.9
69.03465	4.0
71.01389	1.2
71.48956	2.0
72.99306	1.6
75.00451	1.1
75.00880	17.7
82.03008	1.8
84.04561	3.6
85.02960	3.9
89.02443	3.5
94.02971	1.3
97.02938	0.7
98.02493	78.5
99.00901	1.2
99.02837	2.2
100.04070	1.6
102.05634	1.5
110.02499	0.8
110.06142	1.2
112.07689	1.2
117.01942	1.1
122.06133	2.7
128.03568	7.2
128.07190	1.8
130.68912	0.9
135.03020	32.3
136.03333	0.9
138.05585	0.9
140.07211	2.1
146.04596	2.1
153.12854	1.5
158.30185	0.7
166.05063	1.0
166.65938	0.7
172.02542	2.1
176.07370	0.8
179.14439	5.4
180.06633	1.3
181.16008	2.9
184.06174	50.7
185.06523	3.6
189.64561	0.8
194.65987	0.6
195.13953	1.2
195.17549	0.8
196.17105	3.4
197.15530	1.5
202.03610	0.9
203.02831	0.7
219.71947	0.7
220.17035	2.0
220.26331	0.8
224.16524	1.4
234.14923	0.7
236.16566	2.8
237.14914	1.0
238.21788	2.3
248.16495	1.6
250.14551	1.2
250.21729	0.8
252.16118	8.9
264.19739	1.8
267.16003	3.1
276.19727	4.7
278.17551	1.4
279.15997	0.9
280.12546	1.4
280.15552	20.1
281.15930	2.1
282.20810	1.9
292.15582	0.8
292.19232	2.0
308.18628	1.7
314.31021	0.7
320.18759	3.4
326.19852	5.7
327.17993	1.2
334.20099	1.4
338.19742	100.0
339.20074	13.5
353.16080	1.6
366.19067	3.7
380.17300	1.6
382.18704	33.0
383.19043	4.2
394.22586	3.6
410.18204	1.9
438.21381	3.2
500.21628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01865	0.4
53.65755	0.4
57.03448	1.2
59.01385	7.0
61.98833	6.8
63.25417	0.4
66.03484	0.6
68.99798	0.7
69.03463	4.8
70.08728	0.4
70.85180	1.2
71.01390	3.4
72.00922	0.7
72.99333	2.8
73.02954	0.7
75.00883	33.3
81.03491	0.7
82.02989	2.3
83.01414	0.6
83.05029	0.9
84.04563	4.6
85.02975	4.0
87.00892	1.1
89.02460	4.8
89.39915	0.5
93.03492	1.3
94.03014	0.9
96.00961	0.7
98.02495	86.8
99.00898	2.3
99.02834	2.7
100.04057	2.3
101.02460	1.3
102.05631	2.5
108.04574	0.6
109.02978	0.9
110.02510	1.0
110.06136	1.3
111.00945	0.5
111.04514	0.8
112.04124	1.1
112.07681	1.1
113.02480	0.8
116.92889	0.4
117.01965	1.9
121.02979	0.5
122.06139	3.0
125.02493	0.5
126.01992	0.7
128.03568	15.7
128.07191	2.3
135.03026	72.8
136.03342	1.8
138.05583	1.1
140.07195	1.9
146.04669	2.2
148.04091	0.5
153.12888	1.9
158.04597	1.6
161.00830	0.5
161.02435	0.5
166.05144	2.2
169.16022	1.1
171.13936	2.0
172.01111	0.3
172.02557	7.4
173.04623	1.2
179.14427	7.4
180.06673	1.4
180.14717	0.6
181.16032	3.1
182.16048	0.5
184.06172	54.7
185.06461	3.2
191.05589	0.6
195.13960	1.9
195.17665	0.6
196.17065	3.2
197.15474	2.6
202.03633	1.1
209.15544	0.6
218.57896	0.5
220.17064	1.7
224.16586	2.3
234.14996	1.3
236.16585	4.0
236.20261	2.5
237.14928	2.2
238.21823	2.0
239.16789	0.5
248.16530	2.3
248.20265	0.9
250.14479	1.9
250.21687	0.6
251.12836	0.5
251.16454	0.7
252.16048	9.7
252.18494	0.8
253.16446	0.8
262.14520	0.6
264.19678	0.8
267.15994	1.7
274.18048	0.6
276.19659	6.5
277.20102	0.9
278.17706	1.2
280.15543	25.5
281.15836	2.5
282.20697	2.2
292.19095	3.2
293.19449	0.6
294.20728	1.3
308.18692	1.6
308.22400	1.5
309.52747	0.5
310.95795	0.5
320.18713	3.4
321.18738	0.5
322.20328	1.0
326.19769	8.5
327.20129	0.8
330.47778	0.5
334.20154	1.4
336.18167	0.5
338.19745	100.0
339.16248	0.9
339.20099	12.8
353.16141	2.0
357.06161	0.5
364.17694	0.8
366.19223	5.8
375.57388	0.5
380.17270	2.2
382.18738	29.2
383.19006	4.4
394.22348	1.7
410.18051	3.2
438.21252	1.4
440.19400	1.3
500.21274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00283	0.4
52.56126	0.4
53.93371	0.4
54.03822	0.4
57.03451	79.1
58.03798	1.4
59.01385	2.1
64.65115	0.5
68.31586	0.4
70.85044	1.0
70.85424	0.9
71.06937	0.4
78.95921	1.0
81.03469	0.7
81.35204	0.5
83.01390	0.6
99.04536	40.0
100.04887	0.9
101.02457	10.9
125.02469	13.4
135.04544	6.7
143.03534	0.7
151.00507	0.5
156.31001	0.6
163.04030	58.7
164.04356	3.8
178.06377	66.6
179.06715	4.8
179.90657	0.5
189.57805	0.5
193.08716	100.0
194.09059	6.5
460.33508	0.5
463.08051	0.5
499.18149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03440	0.7
58.02976	0.7
59.01384	10.0
61.98832	1.3
69.03463	8.5
70.02982	1.0
71.01387	2.0
71.05025	0.8
71.26115	0.6
72.91998	0.3
72.99316	1.5
73.02934	0.3
74.02503	0.3
75.00881	12.3
78.95916	0.8
80.02679	0.4
81.03452	0.7
82.02992	1.7
83.05058	0.4
84.04544	2.1
85.02964	0.5
86.02485	0.9
87.00876	0.5
89.02442	1.7
93.03480	0.8
94.02998	0.7
96.04563	0.4
96.96980	0.9
97.03034	0.4
98.02496	5.3
99.00885	0.8
100.04074	1.0
101.02435	0.6
101.07230	0.3
109.02964	0.6
110.06143	0.4
111.04579	0.4
111.05663	0.8
112.04109	0.5
113.02454	0.4
115.00443	0.3
117.01972	0.3
120.04624	0.4
123.00896	0.4
124.00437	2.5
124.04146	0.5
127.05164	2.3
127.08800	0.6
128.03548	1.3
135.03027	26.2
136.03258	0.4
137.02463	0.8
137.07213	0.7
140.03586	2.0
145.06227	0.6
151.11383	0.4
152.03596	0.3
153.12897	2.1
155.08333	1.4
157.06285	0.4
165.06671	0.6
166.05109	0.3
169.15964	0.9
171.04182	1.2
171.13972	0.5
173.04567	0.8
179.14470	2.3
181.15996	3.9
183.07776	23.8
184.08096	1.1
191.05659	1.0
191.14520	0.4
195.13899	0.9
196.17082	2.2
197.15514	0.8
201.05141	0.3
209.15483	1.4
210.06514	0.8
210.18639	0.4
211.07260	0.4
220.17117	0.9
221.44402	0.3
224.16602	1.2
225.05679	0.3
236.16591	2.6
237.14998	1.0
238.21790	0.6
242.05428	1.2
248.16547	1.3
250.14560	0.8
250.18164	0.5
252.16029	0.6
262.18066	0.3
264.16010	0.4
264.20123	0.4
267.15994	1.5
274.18106	0.9
276.16104	0.4
276.19580	1.1
278.17627	0.8
280.15591	3.8
281.22287	1.0
291.20816	1.0
294.17126	1.2
302.17609	0.6
309.21909	0.7
319.20398	2.2
325.21265	2.0
335.19846	1.6
337.21341	100.0
338.21695	12.8
365.20834	7.0
366.21045	0.9
377.21024	1.9
378.21054	0.3
379.18625	1.3
381.20343	19.4
382.20804	2.8
401.08813	0.4
409.19803	1.2
437.23096	2.4
438.23480	0.4
439.21271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89093	0.8
61.98835	100.0
62.99296	0.9
65.12425	0.8
70.89093	2.3
70.89465	1.2
71.48476	0.8
76.56779	0.7
94.01969	0.9
100.19855	0.8
214.05908	0.8
243.23250	0.8
258.36246	0.8
333.62054	0.9
410.57687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	81.8
58.03788	1.9
58.19069	0.3
59.01385	3.4
59.44287	0.3
61.98824	1.7
62.96364	0.3
69.51804	0.9
69.52238	1.4
71.01379	1.6
73.02961	0.7
81.03485	0.7
83.01399	0.9
85.02993	0.7
86.90760	0.3
98.20728	0.3
99.04535	46.0
100.04866	1.4
101.02460	13.5
102.02807	0.4
107.05043	0.3
113.02486	1.0
125.02470	14.8
126.02870	0.3
135.04538	6.3
135.05496	0.5
143.03522	0.7
149.06064	0.3
157.43900	0.3
161.04599	2.0
161.05803	0.3
163.04028	69.5
164.04370	4.0
173.04547	0.5
177.05624	0.6
178.06375	66.3
179.06726	5.0
187.94856	0.3
191.05605	0.3
193.08714	100.0
194.09053	7.8
235.76089	0.3
239.76604	0.3
271.02594	0.3
337.08841	0.3
355.13947	0.3
415.66513	0.2
463.08820	0.3
499.17923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44660	0.7
57.03443	1.7
59.01384	3.2
61.98838	6.9
69.03455	1.0
69.51141	6.3
71.01386	1.1
74.82419	0.6
77.68790	0.6
78.95900	3.2
80.46134	0.7
81.03029	0.8
81.03467	5.8
83.01401	3.1
83.05021	0.9
85.02946	1.4
87.00900	0.9
93.03455	7.5
95.01348	0.8
95.05033	3.9
96.96938	0.9
97.02976	2.2
99.04518	3.1
101.02445	0.9
107.05015	0.8
109.02971	4.4
111.04539	1.7
113.02504	1.7
119.05064	3.7
121.02969	1.2
122.03802	1.2
123.04539	9.8
125.02463	14.2
134.03745	2.9
135.04570	5.2
136.01678	1.3
137.02504	3.8
137.06102	7.9
139.04041	1.4
147.04544	1.3
149.02419	1.0
149.06046	0.7
151.04018	1.6
155.03523	2.1
161.02534	1.0
165.05605	4.4
167.03511	32.2
168.03894	1.5
168.32841	0.6
173.04555	9.0
175.03978	0.7
177.05591	0.7
179.03499	7.6
181.05122	1.2
187.07677	1.4
189.05565	2.1
191.05621	7.7
197.04510	3.2
202.06267	0.9
205.08658	0.9
209.04568	11.4
210.04897	1.1
221.04549	2.0
231.10243	0.9
239.05569	1.5
271.02493	2.3
273.03186	0.9
273.07635	7.5
274.08014	0.7
285.07791	1.8
300.02820	3.1
301.03439	2.4
302.03616	2.8
303.04156	1.6
307.11835	1.1
315.08743	100.0
316.05716	1.2
316.09079	11.7
325.12949	2.0
327.08685	1.6
335.07706	2.6
336.16516	0.8
345.09787	19.3
346.10135	2.7
372.09311	0.7
417.12109	2.2
435.08084	4.1
435.13013	18.8
436.13458	3.6
463.08731	2.7
467.15536	1.6
481.16757	1.6
498.21735	1.4
499.18228	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	498.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79104	0.1
57.03450	0.2
59.01368	0.2
61.98832	100.0
62.98538	0.3
63.99250	0.5
67.01891	0.2
67.26732	0.1
69.76386	0.5
69.76807	0.3
71.01394	0.2
81.03452	0.6
83.01424	0.3
93.03476	2.0
111.04561	0.4
119.05054	1.5
123.04545	1.7
125.02469	1.1
135.04535	0.7
137.02477	0.5
145.03020	0.1
149.02486	0.2
151.00414	0.2
155.03548	0.2
161.02493	0.2
163.04050	1.4
167.03519	6.0
168.03915	0.2
173.04570	7.9
179.03525	1.2
191.05617	0.9
200.10608	0.1
259.09521	0.1
273.07687	9.0
274.07965	1.1
301.03537	0.2
301.10980	0.1
337.09314	4.2
337.13147	0.2
353.08896	0.5
435.12930	1.9
436.13293	0.4
499.22202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	1.3
59.01383	20.4
61.98825	1.9
68.80200	0.5
69.41965	2.9
69.42390	2.6
71.01392	13.4
72.99297	1.1
78.95916	0.5
83.01389	1.5
85.02969	3.8
87.00894	0.6
89.02462	9.1
93.03452	1.8
95.01382	1.0
98.20675	0.9
99.04499	0.6
101.02479	6.8
107.05034	0.7
113.02463	4.0
116.94576	0.5
119.03540	3.9
123.04549	0.7
133.02956	0.7
134.03737	1.8
135.03609	0.9
135.04558	11.3
136.04877	0.6
137.02429	1.4
137.44662	0.6
151.00392	0.8
161.04588	0.6
162.03311	1.0
163.04045	0.6
173.04526	1.7
173.05911	0.7
174.06931	0.6
189.01762	0.7
190.02678	1.4
191.05624	2.9
200.75761	0.6
203.03458	0.5
231.16101	0.5
271.02441	0.8
271.16946	0.7
273.18579	2.3
289.18118	12.3
290.18420	1.7
299.16504	4.6
301.03326	0.6
316.71722	0.6
317.17593	7.9
318.17746	0.9
363.49084	0.5
422.54254	0.8
435.93796	0.5
469.24512	2.3
497.23926	100.0
498.24237	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	498.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43570	0.7
59.01377	3.4
61.98836	11.0
69.03439	1.0
71.01381	2.3
71.54565	0.6
81.03432	1.0
83.01390	2.1
85.02960	2.0
89.02479	0.8
93.03474	34.0
94.03802	2.2
98.20634	2.2
101.02412	0.7
108.02194	35.7
109.03007	15.6
110.03327	1.0
113.02436	1.1
121.02980	2.4
123.00939	0.9
123.04546	0.9
124.01641	1.0
125.02455	2.9
133.02977	2.0
135.04591	6.4
136.04907	1.7
137.02467	60.1
138.02788	2.7
149.99597	1.3
151.04001	1.1
152.01180	57.0
153.01979	21.3
154.02284	1.7
155.10709	0.9
161.02493	4.2
162.02782	2.4
163.04054	1.4
165.01979	0.9
167.03482	1.1
168.00607	2.4
173.04578	3.2
177.01917	0.9
179.03580	3.6
180.03831	1.8
191.05606	4.8
193.94931	0.8
211.07658	0.9
212.08014	1.3
226.95070	0.8
229.51866	0.9
255.06705	0.8
273.07684	1.3
274.08127	1.7
277.03931	1.0
278.04532	0.9
297.06119	8.0
298.06351	0.8
300.02747	1.0
315.07248	12.8
316.07611	0.9
318.07120	0.8
336.07867	0.7
435.09354	100.0
436.09683	13.8
497.16733	1.8
498.10809	0.8
498.16928	9.6
499.18259	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	497.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16389	4.3
51.40958	5.2
57.03442	5.9
59.01377	87.8
61.98832	100.0
63.32114	5.3
69.03461	5.0
71.01386	46.6
71.71436	7.8
73.02962	16.0
78.95901	10.6
81.73991	5.8
83.01408	12.2
85.02951	26.6
87.00872	8.6
88.98821	6.2
89.02457	43.4
93.03465	17.7
99.00884	14.8
101.02449	35.8
109.02959	7.5
111.00957	6.0
111.04539	10.5
113.02481	18.5
117.09750	6.0
125.02445	19.3
134.46603	5.2
135.04521	8.2
137.02492	16.5
149.04576	27.0
161.04570	8.2
164.37363	5.3
167.10869	9.4
173.04561	22.3
177.01944	7.1
179.03531	5.9
191.05612	41.2
291.18121	36.7
293.08685	68.2
329.06458	61.2
437.23834	75.1
438.24390	9.4
497.17798	29.7
497.30722	7.5
498.27542	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	497.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27374	0.5
59.01383	100.0
60.01732	1.4
60.11497	0.4
61.98840	8.9
62.03424	0.4
69.65176	0.9
69.65579	3.3
71.01385	1.7
73.02966	0.6
75.41074	0.4
78.95939	1.3
81.79443	0.5
83.05032	0.8
85.02997	0.8
88.98824	0.6
93.03478	2.8
99.00982	0.7
99.04552	0.5
101.02444	0.7
102.04817	0.5
109.03033	0.9
111.04590	1.6
113.02456	0.5
113.07507	0.5
131.93159	0.5
135.04546	0.6
136.16641	0.5
137.02498	2.1
152.99586	0.5
155.03439	0.6
173.04588	3.3
173.53607	0.5
177.02098	0.6
185.84135	0.5
191.05659	3.2
283.13565	1.3
290.20447	0.5
417.21484	1.7
437.24014	0.8
453.28870	1.5
461.10876	0.8
494.45212	0.6
497.31760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1668
Annotation	Globulusin B
Peak:m/z	Relative Intensity
57.03450	0.4
59.01374	1.7
61.98835	15.9
67.01908	0.4
69.03463	2.9
71.01393	1.0
71.25694	0.5
75.39460	0.3
79.10706	0.3
81.03489	1.0
83.01401	1.3
83.05059	0.6
85.02985	1.0
87.00873	0.4
87.40546	0.3
88.98820	1.8
89.02433	0.4
93.03471	6.1
95.01400	1.9
97.02966	2.0
99.04551	0.4
107.01421	1.1
107.05033	0.4
108.02189	1.2
109.03015	1.5
111.04531	1.2
113.02492	0.6
119.05033	0.4
121.02956	0.7
123.00902	6.1
123.01732	0.5
123.04541	0.8
124.01689	21.7
125.02473	52.4
126.02814	1.9
133.02975	2.3
134.03748	1.1
135.04550	22.3
136.04890	1.4
137.02483	4.5
138.02884	0.4
139.11354	0.5
143.10875	0.4
147.04581	0.4
149.02472	0.7
149.99615	26.9
151.00423	3.5
151.03986	0.6
152.01144	1.2
155.03526	0.8
161.02493	6.3
163.03996	0.5
165.01875	0.4
167.03528	2.5
168.00667	58.8
169.01358	5.0
173.04601	1.8
175.03972	0.5
177.02019	0.5
178.02568	0.3
179.03523	19.0
180.03854	1.2
191.03799	0.5
191.05626	3.9
211.07635	1.2
255.06639	0.8
261.07623	1.7
273.07419	0.5
313.05661	2.0
313.98975	1.3
314.99728	0.5
317.06729	0.6
329.01166	0.4
335.07809	2.8
336.08347	0.4
347.02475	1.9
403.45883	0.4
434.12131	0.3
497.11148	5.7
497.16702	100.0
498.11148	1.4
498.17078	16.7
510.75494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01374	1.7
61.98835	15.9
67.01908	0.4
69.03463	2.9
71.01393	1.0
71.25694	0.5
75.39460	0.3
79.10706	0.3
81.03489	1.0
83.01401	1.3
83.05059	0.6
85.02985	1.0
87.00873	0.4
87.40546	0.3
88.98820	1.8
89.02433	0.4
93.03471	6.1
95.01400	1.9
97.02966	2.0
99.04551	0.4
107.01421	1.1
107.05033	0.4
108.02189	1.2
109.03015	1.5
111.04531	1.2
113.02492	0.6
119.05033	0.4
121.02956	0.7
123.00902	6.1
123.01732	0.5
123.04541	0.8
124.01689	21.7
125.02473	52.4
126.02814	1.9
133.02975	2.3
134.03748	1.1
135.04550	22.3
136.04890	1.4
137.02483	4.5
138.02884	0.4
139.11354	0.5
143.10875	0.4
147.04581	0.4
149.02472	0.7
149.99615	26.9
151.00423	3.5
151.03986	0.6
152.01144	1.2
155.03526	0.8
161.02493	6.3
163.03996	0.5
165.01875	0.4
167.03528	2.5
168.00667	58.8
169.01358	5.0
173.04601	1.8
175.03972	0.5
177.02019	0.5
178.02568	0.3
179.03523	19.0
180.03854	1.2
191.03799	0.5
191.05626	3.9
211.07635	1.2
255.06639	0.8
261.07623	1.7
273.07419	0.5
313.05661	2.0
313.98975	1.3
314.99728	0.5
317.06729	0.6
329.01166	0.4
335.07809	2.8
336.08347	0.4
347.02475	1.9
403.45883	0.4
434.12131	0.3
497.11148	5.7
497.16702	100.0
498.11148	1.4
498.17078	16.7
510.75494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1302
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
57.03454	0.9
59.01384	1.8
61.98838	13.2
67.01865	0.4
69.81094	0.3
70.85450	0.4
71.01379	2.2
71.69547	0.6
72.99306	0.7
73.02955	1.0
77.55186	0.3
81.03476	1.3
83.01402	0.5
83.05027	1.4
85.02969	1.6
85.31034	0.3
87.00887	0.4
88.98833	0.9
89.02462	1.2
91.05553	0.4
93.03474	13.3
94.03821	0.4
99.00894	0.4
99.04512	1.0
101.02465	1.2
107.05052	1.6
109.02980	2.5
111.04540	3.6
113.02481	0.6
116.92904	0.9
117.03486	0.8
119.03546	0.4
123.04590	0.5
125.02484	1.0
127.04019	0.4
133.02988	7.5
134.03818	3.2
135.04552	100.0
136.04898	5.3
136.07683	0.6
137.02478	8.2
145.02940	0.5
146.03802	0.4
153.01974	0.5
155.03551	2.3
159.04582	0.7
161.02469	32.6
162.02779	1.9
173.04587	6.3
174.04994	0.5
177.01920	0.4
177.05658	0.5
178.02722	0.5
179.03523	99.4
180.03870	5.9
191.05630	8.4
192.05994	0.8
203.07195	0.6
205.05176	0.5
249.07855	0.6
272.09311	3.0
289.07108	0.6
291.08664	0.5
317.06769	0.6
323.07523	0.4
335.07755	65.2
336.08148	6.7
341.05338	0.4
341.08810	3.3
342.09106	0.7
353.08826	0.4
377.08746	1.8
378.09021	0.5
407.09631	0.5
434.14679	1.0
437.10767	0.9
497.13031	34.9
498.13205	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	496.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01374	1.2
61.98836	100.0
62.98539	0.3
63.76571	0.2
67.01898	0.2
69.56645	0.3
69.57050	1.3
71.01392	0.9
73.02974	0.3
78.93137	0.2
78.95493	0.2
78.95930	0.6
83.01410	0.5
85.02968	0.4
89.02457	0.2
93.03483	0.5
95.01389	0.2
98.14127	0.2
99.04547	0.3
101.02489	0.6
107.01421	0.4
109.02980	0.7
110.04831	0.2
111.32337	0.2
113.02460	0.4
117.03474	0.2
119.05073	0.2
121.03016	0.2
123.00935	0.3
124.01682	0.8
125.02460	1.9
130.06674	0.2
133.03004	0.3
135.04575	1.3
137.02460	0.3
139.00433	0.3
141.01984	0.4
145.02946	0.3
149.02516	0.2
149.99626	0.6
151.00371	1.3
152.01195	2.4
153.01920	0.3
158.06123	1.2
161.02525	0.7
161.04608	0.2
167.03564	0.2
168.00674	1.2
169.01485	0.2
173.04623	0.7
177.01956	0.3
178.99887	3.8
179.03497	1.2
180.00464	0.2
191.05615	1.4
193.01445	0.2
195.54091	0.2
201.05656	0.2
209.04639	0.2
222.95810	0.2
225.04082	0.2
253.11794	0.2
255.03081	0.2
259.06247	1.0
269.04529	2.0
270.05127	0.3
271.02536	0.2
271.06223	0.2
271.10345	0.2
287.05792	0.6
300.03027	0.6
301.03510	0.4
303.05383	0.3
322.03467	0.2
335.07767	0.5
387.07327	0.3
410.23251	0.2
433.11581	5.6
434.12073	0.8
437.11234	0.2
452.24240	0.4
461.14780	0.2
495.24185	0.3
495.32516	0.3
496.10669	0.3
496.25082	0.2
497.16486	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	496.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
59.60500	0.3
61.98833	17.1
63.02385	0.4
65.00315	0.8
69.76886	0.8
69.77290	2.2
69.78542	0.3
71.01398	0.4
73.02956	0.5
76.08386	0.3
83.01395	0.7
85.02985	0.5
88.98833	1.0
90.47263	0.3
93.03466	0.8
96.00926	0.5
107.01427	1.8
107.16824	0.3
108.02224	1.7
109.02964	3.3
111.04514	0.4
113.02446	0.4
117.88578	0.3
121.02963	1.7
125.02481	0.4
135.00832	0.5
135.04541	1.6
145.02983	0.8
145.06596	0.4
147.04434	0.7
148.01665	0.6
151.00383	9.7
152.01039	0.7
161.02443	1.0
161.06134	0.6
163.00371	2.2
164.01134	0.7
164.07179	1.2
173.04568	0.8
175.04041	0.4
178.99890	5.0
179.03516	1.3
187.03987	0.6
188.07178	5.9
189.07468	0.4
191.05618	2.5
199.03958	0.4
211.04066	0.8
226.02696	1.2
227.03488	2.1
228.04181	0.4
229.04990	0.6
239.03450	0.5
243.02988	7.8
244.03561	0.6
245.04541	1.1
254.02243	2.1
255.02977	20.0
255.93665	0.4
256.03329	2.3
271.02469	44.5
272.02908	4.6
273.03970	1.1
281.04562	1.0
283.02435	1.3
297.07822	0.4
299.01907	1.0
300.02759	85.3
301.03461	51.1
302.03879	4.4
341.06934	2.1
433.07770	100.0
434.08136	15.4
496.18405	0.5
497.17206	1.3
513.67181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
60.19904	0.3
61.98834	100.0
71.70538	0.6
72.99316	0.4
75.00880	1.0
75.07918	0.4
78.95917	2.2
81.17789	0.3
85.03027	0.4
94.98111	0.5
96.96976	0.5
112.98814	0.5
135.03050	3.4
137.02509	0.4
142.99945	0.5
152.99602	4.4
173.00964	0.8
181.16191	0.4
192.44194	0.4
209.19151	1.3
221.19183	0.7
225.18643	0.7
237.18723	0.6
253.18198	0.6
265.18170	1.0
277.18130	0.7
279.19720	0.7
293.17545	5.3
294.18201	0.5
307.19174	2.8
309.20688	0.5
321.17062	3.8
322.17484	0.4
353.19778	0.6
399.20148	1.9
431.22144	1.1
453.54550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78779	0.3
57.03456	0.6
59.01384	3.9
60.99310	11.8
60.99638	0.6
61.98829	2.6
63.89291	0.3
64.59652	0.3
67.01899	0.6
69.03440	0.3
70.26985	1.6
71.01386	2.9
72.99321	0.6
73.02973	1.1
78.95907	0.3
81.03480	0.5
83.01427	0.5
83.05060	0.4
85.02951	2.7
87.00907	1.7
88.00423	1.3
88.98817	100.0
89.01908	0.7
89.02453	12.4
89.03959	0.6
89.99142	0.8
93.03476	4.7
96.95999	0.4
97.84100	0.3
99.00922	0.5
99.04550	0.9
99.92613	1.0
101.02453	1.8
105.03506	0.8
109.02991	1.6
111.04525	1.7
111.18044	0.4
113.02451	0.9
115.92105	0.8
116.92883	6.3
117.92887	0.6
121.02969	0.7
123.04530	1.1
125.02458	1.2
127.04078	0.5
131.03517	0.4
133.02985	3.1
135.04585	2.0
136.04018	0.4
137.02454	1.1
143.03490	0.4
144.95383	0.3
145.02974	0.4
147.04520	0.6
149.02449	0.5
149.04553	1.6
151.04102	0.4
155.03503	0.7
159.04543	0.6
160.04068	0.4
161.02432	1.3
161.04538	0.4
167.03537	2.9
173.02454	0.3
173.03021	0.6
173.04570	7.6
174.03256	0.4
174.04857	0.4
175.03987	0.9
177.01947	30.8
178.02296	2.3
179.03493	1.2
191.05624	21.3
192.05795	0.7
193.06364	0.4
195.08154	0.7
209.06097	0.4
213.05566	0.3
219.02939	0.5
221.06129	0.9
223.07623	0.7
224.04796	0.5
226.96509	0.9
237.05553	0.4
238.06123	0.3
239.07042	0.7
249.05576	0.7
250.06090	0.4
251.07129	1.3
253.04843	0.4
265.05042	0.6
266.05954	0.5
267.06546	2.0
271.10977	0.3
293.04535	0.7
295.06110	2.9
299.05359	0.6
311.05652	0.6
321.04077	0.5
339.05093	13.6
340.05344	1.8
361.13666	0.3
387.08524	0.5
391.45615	0.4
407.07574	0.4
459.05948	0.5
495.09415	12.0
495.23267	0.9
496.09750	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	494.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98835	100.0
65.45993	0.2
67.01899	0.3
68.99818	0.2
69.03471	0.7
69.13912	0.3
70.45435	0.9
71.01405	0.5
71.05042	0.4
72.99317	2.9
75.00882	2.9
75.56997	0.2
78.95933	0.6
81.03490	0.5
83.01425	0.5
85.02974	1.0
86.93894	0.3
87.00900	0.3
89.02477	0.4
95.01385	0.3
97.02984	0.6
98.20006	0.4
98.20519	0.3
99.00911	0.7
111.00935	0.5
112.98842	1.7
113.34528	0.3
117.43669	0.3
123.00906	0.3
124.01694	0.6
125.02470	1.0
130.99837	1.3
135.03024	14.3
135.46547	0.2
136.03357	0.5
142.99854	1.7
152.01231	0.3
152.99652	0.7
173.00931	2.3
199.17067	0.3
203.80214	0.3
207.17603	0.7
209.19112	4.8
210.19441	0.6
221.19124	3.0
222.19525	0.3
223.17006	1.3
223.20601	0.3
225.18538	1.6
233.19159	0.4
237.18640	1.6
249.18636	1.6
253.18120	1.3
261.18637	0.4
263.16531	0.3
265.18115	5.1
266.18304	0.6
267.19571	0.4
277.18094	3.3
279.19690	1.8
280.20129	0.4
291.19751	0.4
293.17609	27.6
294.17960	3.3
295.19122	1.7
307.19186	11.8
308.19501	1.6
309.20798	0.8
313.20267	0.7
321.17114	9.0
322.17633	1.1
325.20267	0.3
337.20178	0.4
353.19684	2.1
355.21402	0.8
369.22916	0.9
375.32614	0.2
381.19162	0.6
399.20410	1.1
413.21899	0.9
431.21848	0.3
434.96146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03448	0.5
59.01382	0.7
61.98833	100.0
62.98502	0.3
67.61659	0.4
69.03449	0.7
70.28704	1.2
70.43510	0.4
71.01392	0.8
71.05028	1.3
72.99320	1.1
75.00883	1.6
78.95902	0.9
81.70353	0.3
83.01410	0.7
85.02959	0.8
87.00897	0.6
88.04015	0.4
98.19915	0.3
99.00921	0.7
101.02441	0.4
102.05614	0.4
103.87853	0.4
111.00883	0.8
112.98834	1.9
124.01675	1.5
125.02385	0.4
130.08763	0.4
131.25706	0.4
135.03024	5.6
137.02458	1.5
142.99886	1.4
145.03079	0.4
152.01175	0.6
154.29066	0.4
173.00894	1.7
207.17465	0.5
207.23199	0.4
207.63293	0.4
209.19109	10.6
209.21162	0.5
210.19528	1.0
221.19119	5.9
222.19403	0.4
223.20740	0.4
225.18625	0.6
237.18596	3.1
249.18571	1.3
253.18100	1.1
265.18106	6.6
266.18307	0.7
267.19601	0.9
277.18088	0.8
279.19608	0.7
279.23105	0.5
293.17581	62.8
294.17917	8.3
295.19147	2.6
321.17099	5.6
321.93866	0.5
322.17358	0.7
353.19623	1.6
357.20538	0.9
399.20151	0.5
467.20438	0.5
476.24719	0.6
494.35773	0.9
495.23923	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	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88523	0.1
61.98832	100.0
62.98527	0.3
71.70596	0.2
73.79115	0.1
85.53804	0.1
93.03457	0.1
98.97247	0.1
107.01382	0.1
109.02920	0.1
125.41089	0.1
129.74977	0.1
137.69194	0.1
151.00398	0.2
163.00356	0.3
181.26938	0.1
185.06125	0.2
187.04016	0.2
221.01868	0.1
227.03510	5.9
228.03790	0.6
229.05092	0.9
239.03476	0.2
240.76843	0.1
250.95160	0.1
255.02972	8.6
256.03534	1.5
257.04581	0.4
284.00729	0.2
284.03256	9.1
285.04010	8.9
286.04321	1.1
431.09827	18.2
432.10138	3.1
460.20184	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.1
59.01386	8.2
61.98834	46.6
71.01379	4.6
71.27743	2.4
73.02948	1.4
74.88974	1.2
78.95932	1.4
83.01395	1.5
85.02937	2.2
89.02478	1.0
93.03471	4.3
95.01402	1.4
99.04528	4.5
101.02465	4.3
108.02192	13.7
109.02959	6.6
113.02445	2.7
116.46752	0.9
117.03478	7.1
119.05053	1.2
121.02981	2.8
122.06153	1.0
123.00937	1.3
124.68720	1.1
125.02448	2.2
135.04523	2.8
137.02441	2.2
147.04509	1.1
149.02502	1.6
151.00435	1.4
152.01178	16.3
153.02023	5.1
159.04552	2.3
161.02475	6.3
163.04002	4.5
163.36752	1.2
165.01941	1.2
173.04543	4.0
179.03596	2.2
182.02164	1.3
183.03018	4.2
191.03465	1.9
191.05635	7.9
197.04608	1.3
197.06157	1.3
225.05688	1.3
239.07175	2.4
268.03589	1.3
269.04538	4.0
271.02411	2.6
281.04602	2.9
282.01935	1.0
282.05063	2.3
283.02939	2.2
283.06131	46.6
284.06473	4.0
287.02118	1.3
289.03534	2.6
293.04645	2.6
295.06119	1.8
299.01953	1.5
311.05618	92.4
312.05991	12.1
323.05698	4.8
327.07352	2.1
333.19003	1.2
339.05203	3.2
341.06595	9.7
382.54633	1.1
385.20779	1.2
418.15192	1.1
431.09851	100.0
432.10126	16.8
463.08301	1.7
493.29688	1.1
495.11438	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	493.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20237	0.2
59.01402	0.4
60.99310	13.7
61.98823	0.6
70.29451	0.5
70.29846	0.5
70.42228	0.2
72.99296	0.3
88.98820	100.0
89.99155	1.0
93.03477	0.8
100.31544	0.2
114.11046	0.2
117.09297	0.2
121.02854	0.2
135.03003	1.5
137.02490	1.3
142.99896	0.3
173.00897	0.3
173.45363	0.3
181.16028	0.6
193.15901	0.3
209.15428	0.3
237.15036	0.5
265.14432	2.2
266.14792	0.4
266.66025	0.3
279.16162	0.8
293.13992	1.2
308.91696	0.3
380.44531	0.3
390.82098	0.2
480.25616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47663	0.4
59.01387	0.6
59.13578	0.4
60.99311	13.0
61.98830	2.8
69.45752	4.1
79.34673	0.4
84.37490	0.5
88.98820	100.0
89.99157	1.1
98.20216	1.9
105.08196	0.4
135.03023	0.8
169.15982	0.9
171.07187	0.4
181.16052	1.0
183.31102	0.4
239.06995	0.8
247.00340	0.4
265.14502	4.2
293.14035	1.1
294.86078	0.4
294.93686	0.5
372.12378	0.7
467.70053	0.4
493.17883	1.0
494.27109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2444
Annotation	Sordaricin-1-glucose ester
Peak:m/z	Relative Intensity
55.01876	0.5
57.03447	0.5
58.00574	1.5
59.01381	33.4
60.99308	3.0
61.98813	2.0
71.01389	22.9
71.69521	0.5
71.70042	0.7
72.99315	2.9
73.02957	0.9
83.01395	2.3
85.02960	5.4
87.00890	1.0
88.98817	21.5
89.02454	19.5
89.99144	0.8
93.03446	0.4
95.01385	1.7
99.00893	0.9
101.02455	14.2
102.02794	0.5
113.02460	7.4
117.24517	0.4
119.03522	8.4
131.03531	0.6
143.03508	0.5
143.05058	0.6
147.04565	0.7
156.05836	0.5
158.03696	2.0
159.04446	1.2
170.94565	0.4
171.04518	1.7
171.08102	0.6
172.05305	8.4
179.05650	1.0
181.01498	0.5
186.06963	0.5
188.04726	0.4
191.05663	0.4
195.47398	0.4
199.79150	0.4
200.04790	5.7
257.19131	1.3
285.18536	1.8
301.18027	1.9
313.18091	100.0
314.18436	13.4
331.19028	0.8
359.16711	0.5
493.24432	53.3
494.24707	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	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03455	5.6
58.00603	0.5
58.15206	0.4
59.01089	0.6
59.01381	12.9
61.36677	0.3
61.98837	16.2
63.86589	0.3
71.01391	9.1
71.70175	0.4
71.70554	0.5
72.99316	0.8
73.02953	2.6
77.72942	0.3
78.95901	0.8
80.14871	0.4
83.01389	2.0
85.02963	4.7
86.00077	0.4
87.00877	1.9
88.98808	1.0
89.02445	1.7
93.03462	0.7
95.01395	0.8
99.00923	0.9
99.04533	5.1
101.02455	5.6
109.02951	0.7
111.00906	0.6
113.02466	2.5
119.03482	0.3
125.02477	2.1
126.85874	0.3
127.11307	1.5
133.02922	0.6
135.04547	0.7
143.03539	0.5
155.10811	0.5
157.12347	0.8
161.02415	0.9
161.04547	0.6
171.10326	0.6
173.04491	1.0
187.13408	0.6
191.05659	1.8
201.11458	0.5
255.03125	0.7
284.03204	0.8
285.04175	0.5
313.23822	3.3
329.23376	1.2
331.24927	18.1
332.25235	2.9
349.22400	1.1
373.26022	0.6
431.09943	1.7
431.19116	0.5
447.22430	0.5
457.27576	0.4
475.29175	4.3
476.29419	0.8
493.30197	100.0
494.30496	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28268	0.3
59.01376	0.6
59.91951	0.3
61.98833	1.7
62.32338	0.3
65.00327	3.5
71.70952	0.6
73.27417	0.3
78.95905	0.4
80.02650	0.3
81.03444	0.4
82.02796	0.4
83.05015	0.6
91.01881	0.9
92.99828	0.8
93.03470	0.5
94.26327	0.4
95.01408	0.6
95.05013	0.4
108.02173	0.4
109.02969	1.5
110.00105	2.3
114.94367	0.3
119.01411	0.4
120.02174	1.0
120.99326	0.6
123.08135	0.4
125.09713	0.6
132.02164	0.5
133.02977	22.2
134.03322	0.9
135.00899	2.5
135.04480	0.4
136.98824	4.3
137.02507	0.4
137.99554	0.8
143.05019	0.8
146.03717	0.5
149.38393	0.3
157.02922	0.5
159.04530	1.0
163.00404	6.3
163.04010	0.7
163.11243	0.5
164.01170	6.3
164.04825	0.3
164.98322	3.9
165.99084	1.6
171.04536	1.1
171.10294	6.1
172.05305	0.4
173.02438	0.6
173.04553	0.8
174.03223	0.4
175.04034	1.3
183.04518	1.3
185.02475	0.6
187.03926	0.7
191.05658	1.0
198.03204	1.3
199.04022	20.3
200.04324	1.6
201.01974	5.4
202.02319	0.4
203.03458	1.8
209.11842	15.6
210.12149	0.7
211.04037	0.6
213.01904	0.6
215.03500	2.0
216.04262	1.3
226.02666	0.5
227.03513	7.0
227.12904	0.6
228.04109	1.4
229.01457	0.9
230.02174	0.5
231.02983	0.4
242.02182	0.4
243.02980	7.2
244.03528	0.8
247.13438	1.8
255.02965	5.0
256.03448	0.5
265.14435	0.8
271.02484	13.4
272.02957	1.7
281.00864	0.5
282.01724	0.8
283.02478	0.5
284.03262	0.5
298.01114	0.5
299.01981	100.0
300.02710	66.5
300.06360	0.7
301.03238	8.9
313.03503	3.8
314.04120	1.7
315.05035	1.5
372.30301	0.4
375.25571	0.4
401.23285	0.7
436.00650	0.3
457.25406	0.4
475.26907	1.4
493.11426	29.0
493.26984	2.2
494.11752	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	492.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11436	0.8
61.98824	3.1
69.03452	2.1
69.85909	4.3
82.02997	1.3
84.00921	1.1
91.74488	0.7
98.02487	1.9
109.87182	0.8
110.02480	3.1
111.99949	0.7
112.04044	0.9
122.02500	2.1
124.00381	1.1
140.03551	7.7
142.33521	0.8
142.82939	0.9
153.12837	1.6
156.86626	0.8
197.15488	99.6
198.15855	6.3
235.17001	0.9
248.16684	1.9
264.16058	19.2
265.09677	0.9
265.16336	2.2
276.16077	1.9
294.17136	100.0
295.17450	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	491.2136
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
57.03451	100.0
58.00598	1.6
58.03784	2.8
59.01382	79.4
60.01709	1.1
61.98836	4.9
69.03461	1.5
69.78323	6.0
71.01389	38.6
72.99315	1.6
73.02955	25.4
73.67345	0.7
75.00898	1.2
78.02742	0.8
79.05542	1.2
81.03462	2.5
83.01389	8.2
85.02956	7.8
86.02328	0.8
87.00896	2.6
88.98824	2.6
89.01909	1.9
89.02457	26.8
89.03001	1.6
90.02785	0.9
93.03471	2.4
95.01388	2.2
97.02955	2.0
97.06613	3.1
99.00924	1.9
99.04536	75.4
100.04882	2.7
101.02461	55.2
102.02825	1.0
109.03001	1.9
109.06618	0.8
111.00895	0.9
111.04575	0.9
113.02467	18.4
113.06099	3.4
119.03535	13.1
123.03706	1.5
123.04554	16.2
124.04957	1.2
125.02473	30.8
131.03516	4.2
135.04573	2.6
137.02524	1.4
139.03915	1.1
141.05594	2.8
143.03558	8.0
145.10382	0.9
149.02473	0.8
149.04605	5.1
153.01863	0.9
153.05612	2.0
155.03542	1.0
161.04582	16.2
173.04602	3.9
179.03505	1.1
179.03970	1.4
179.05638	16.4
180.05907	1.0
191.05623	7.4
192.05917	1.1
221.06665	4.1
232.66531	0.8
261.09769	1.0
329.16156	2.9
347.17139	11.0
348.17941	1.1
356.93274	0.9
370.71545	0.8
389.18188	6.5
390.18488	0.9
447.22260	1.4
491.21387	42.7
492.21567	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	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58166	0.6
54.63941	0.5
57.03452	12.5
59.01382	14.9
60.99300	0.7
61.98841	1.4
67.01891	3.9
69.03462	2.7
69.75365	3.7
71.01386	8.0
72.99359	0.6
73.02961	2.7
80.08086	0.5
81.03480	1.3
81.50286	0.6
82.07425	0.5
83.01402	1.2
83.05051	1.2
85.02966	7.7
86.76072	0.7
87.00876	6.4
88.98804	0.8
89.02466	3.1
93.03474	23.9
94.03835	1.0
95.01384	0.6
96.96028	0.6
97.02975	2.0
98.95633	0.7
99.00906	0.9
99.04539	11.4
99.92614	0.8
101.02460	7.0
108.02206	0.6
109.02972	3.1
111.00902	1.1
111.04533	4.8
113.02467	2.1
115.92118	1.0
119.03555	1.8
120.01225	0.5
121.03028	0.8
123.04558	1.5
125.02485	4.9
127.04026	0.9
129.01959	0.9
131.03647	0.5
135.04544	3.1
137.02498	2.4
137.06152	0.6
143.03520	1.3
145.02953	1.1
147.04498	1.0
149.04482	0.7
155.03535	3.6
155.04843	0.9
155.08707	1.0
158.03806	0.9
159.04533	4.3
160.01714	0.7
161.02444	1.3
161.04596	1.9
161.05983	0.7
165.07201	0.8
167.03531	0.8
167.05025	1.0
167.08643	0.9
169.06624	1.1
171.04507	1.2
172.05351	0.8
173.04582	43.3
173.05952	2.1
174.03252	3.4
174.04926	2.1
175.04041	0.9
179.03529	1.6
179.05670	1.4
181.06552	0.8
183.04524	1.3
183.08142	1.4
184.05339	0.7
185.02470	3.5
185.06090	2.3
186.02959	0.6
187.04041	3.2
187.07672	1.2
189.05551	0.9
191.05634	68.2
192.06007	3.8
193.06587	1.2
195.04492	3.0
196.05324	2.9
198.03246	4.6
199.04018	4.6
199.07683	1.7
200.01204	1.5
200.04556	1.0
201.05545	2.6
208.05357	1.6
209.06096	15.8
210.06650	2.3
211.04295	6.2
211.07660	39.4
212.04820	6.7
212.07942	4.0
213.05524	2.9
216.04356	2.7
225.05576	5.4
226.06262	1.3
227.03561	5.1
227.07092	6.3
229.05081	5.1
230.05609	1.0
237.05638	1.1
240.04298	0.8
245.08220	2.5
255.06639	21.2
256.06989	2.4
271.06113	3.7
272.06534	0.7
273.07687	47.0
274.08060	5.1
280.90570	0.6
289.07147	2.9
299.02087	0.9
299.05630	57.7
300.05936	6.2
317.06686	100.0
318.07059	12.0
347.17038	2.2
379.95358	0.6
389.17886	1.3
410.97641	2.3
431.23102	1.1
491.11935	58.7
491.20834	4.2
492.12299	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	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	41.5
57.25000	15.8
59.01373	77.6
61.98825	63.4
68.31992	17.1
69.88055	16.6
70.89212	53.5
71.01379	32.1
85.02986	26.2
91.08916	16.3
93.03504	20.9
93.44138	17.3
99.04515	24.1
105.82040	17.0
109.02953	21.2
131.60513	18.1
135.04591	29.9
173.04610	29.1
191.05554	27.6
229.02919	18.0
234.91270	18.3
255.02919	23.0
284.03198	40.9
285.03979	100.0
298.01279	24.8
313.03470	32.3
333.04346	16.3
347.17148	65.4
389.18393	24.7
431.09808	46.0
491.11938	38.7
491.19000	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
58.31754	0.3
59.01384	7.1
60.08353	0.3
61.98840	2.4
67.01892	1.2
69.03462	0.9
71.01392	3.0
71.09229	0.8
73.02963	0.7
74.52692	0.3
81.03490	0.4
83.01407	0.5
83.05056	0.6
83.95129	0.3
85.02962	1.8
87.00889	1.3
88.98821	0.9
89.02469	3.3
93.03477	5.7
94.03814	0.4
99.00914	0.4
99.04533	1.1
101.02474	1.8
101.27824	0.4
102.04890	0.3
108.02192	0.4
109.02979	1.3
111.00894	0.6
111.04543	2.5
113.02452	1.3
119.03503	0.8
119.05021	0.4
120.99665	0.7
121.02968	0.6
123.04530	0.6
125.02475	0.9
127.04079	0.3
129.01915	0.5
133.03018	1.6
133.56961	0.4
134.03763	0.8
135.04555	5.0
136.04906	0.4
137.02457	2.2
138.01941	0.6
138.05656	0.6
145.03015	0.8
146.03749	0.7
147.04582	0.5
152.01154	0.4
152.06326	0.6
153.01915	0.5
153.05623	1.8
155.03513	3.3
155.08650	0.4
158.03781	0.5
159.04562	2.6
161.02483	1.2
161.04594	0.5
161.06105	0.5
163.04015	0.4
165.07130	0.9
167.03555	0.9
167.04944	0.7
167.08678	0.9
169.06647	0.5
171.04556	0.6
172.05309	0.6
173.04591	17.0
173.05960	0.7
174.03244	2.5
174.04796	0.7
175.03931	0.9
177.01997	0.3
177.96815	0.3
178.02740	0.7
179.03554	2.8
179.05569	0.8
181.06526	0.5
183.04515	0.9
183.08168	1.6
185.02528	1.7
185.06094	1.5
186.03297	0.5
187.04045	1.8
187.07689	0.7
191.05634	7.7
191.07344	0.5
192.05890	0.6
193.06619	1.0
195.04498	2.8
196.05264	2.5
197.05838	0.5
198.03238	0.5
199.04008	0.8
199.07651	1.4
200.01250	0.8
201.05635	3.0
203.03528	0.4
208.05295	0.6
209.06105	7.7
210.06773	2.3
211.04141	1.6
211.07661	47.3
212.04866	2.8
212.07971	4.5
213.05565	1.2
215.07413	0.4
216.04185	0.5
217.05125	0.7
218.97600	0.5
225.05515	0.7
226.06238	0.4
227.03535	4.5
227.07095	4.0
228.03932	0.4
228.07715	0.5
229.05057	6.2
229.08649	0.7
230.05437	0.7
237.05569	0.9
240.04280	0.5
245.04668	0.5
245.08148	2.2
253.05156	0.7
255.06596	4.9
256.07062	0.6
258.09012	0.4
271.06122	0.6
271.87711	0.3
273.07703	20.6
274.08081	2.2
289.07220	3.2
291.08798	0.4
299.05759	1.9
317.06696	100.0
318.03329	0.7
318.07034	11.9
334.06912	2.8
335.07785	3.2
410.97641	0.9
431.15503	1.6
431.23276	0.4
432.15207	0.4
447.13403	0.5
485.34122	0.3
491.11945	13.6
491.19061	0.7
492.12357	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	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31285	0.3
57.03447	1.4
59.01384	3.9
60.01721	0.3
61.98837	3.8
69.03457	0.5
71.01394	3.8
71.04765	0.7
72.99310	0.5
73.02959	0.9
73.64497	0.3
74.02442	0.3
76.73396	0.3
81.03465	1.3
83.01390	0.8
85.02962	2.3
85.36575	0.3
87.00922	0.4
89.02468	1.3
93.03495	1.8
95.01411	1.6
96.96036	1.0
97.02972	0.4
99.00903	0.5
99.04538	1.1
101.02448	1.4
108.02191	54.8
109.02994	23.0
110.03296	0.8
110.63069	0.3
111.04534	0.7
113.02464	1.2
116.59116	0.3
116.92909	0.3
117.03506	0.4
119.05048	0.8
120.99670	3.8
121.02974	2.8
123.00904	1.0
123.04526	1.0
125.02493	0.8
132.02190	6.0
133.03001	4.3
134.03775	6.7
135.00890	1.0
135.04582	4.9
136.04854	0.5
137.02483	1.4
139.03989	0.3
143.03502	0.3
147.04596	0.5
149.06120	1.1
150.03302	0.3
151.04062	0.7
152.01178	66.5
153.01970	19.9
154.02333	1.1
159.04498	0.3
160.01683	29.6
161.02472	18.6
161.04561	0.5
162.02824	1.1
162.20862	0.2
163.04044	1.3
165.01947	0.8
167.03520	1.0
173.04573	1.3
173.05894	0.3
175.04024	23.5
176.04305	1.9
177.01846	0.4
177.05557	0.5
178.02750	0.5
179.03529	4.4
180.03912	0.6
181.05127	0.3
191.05605	3.1
191.07106	0.3
193.05092	3.7
194.73500	0.3
195.03085	0.4
202.06178	0.3
221.04536	0.6
225.03972	0.4
227.03590	0.6
228.04289	0.7
242.05879	0.4
243.06627	1.3
265.07275	0.4
281.04523	0.4
284.03412	0.6
284.06610	0.3
285.04086	1.4
285.07339	0.4
300.02673	0.6
301.03391	0.8
312.02386	0.5
313.03406	0.5
314.03778	0.3
315.07217	15.7
316.07639	1.2
323.07739	3.2
337.09262	0.9
347.17224	0.7
385.34018	0.3
430.38681	0.3
431.22839	0.7
447.13571	1.5
448.09262	0.4
459.09192	1.4
491.11945	100.0
491.26660	2.2
492.12311	17.9
492.24274	0.9
506.54315	0.3
512.58282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52089	0.5
56.15487	0.6
58.24181	0.6
58.30239	0.5
59.01376	3.3
61.98826	0.5
66.18956	0.5
67.01905	0.6
69.50301	5.4
71.01391	2.1
71.19890	0.6
85.02964	5.6
87.00886	1.5
88.55251	0.6
89.02461	0.5
93.03474	4.6
99.04564	1.0
101.02471	0.9
109.02981	1.6
111.04517	1.8
113.02496	0.6
118.98103	0.8
119.05021	0.8
123.04510	0.7
125.06092	0.5
127.04046	2.2
128.36668	0.5
133.03001	1.5
135.04564	4.1
137.02469	4.5
145.73944	0.5
155.03528	1.5
159.04645	0.6
161.02467	2.0
161.08232	1.0
163.04033	1.2
167.03481	1.6
170.29823	0.5
173.04576	6.6
179.03506	4.1
191.05644	100.0
192.05983	5.0
211.07687	4.4
229.08833	0.7
255.06496	1.1
273.07690	1.3
281.04419	0.7
291.08823	1.1
299.05710	1.4
317.06662	4.6
318.07132	0.7
335.07849	1.2
353.08795	12.3
354.09052	2.0
361.10107	0.7
454.93457	0.6
491.12183	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.39251	0.5
53.45166	0.5
54.52396	0.5
57.03442	1.6
59.01384	4.6
61.98833	1.6
70.86761	1.3
71.01385	1.4
73.02954	1.0
85.02986	0.7
88.98792	0.4
99.04526	2.2
101.02475	1.0
103.95296	0.5
110.00085	0.7
119.05070	1.0
121.21667	0.5
134.00107	0.7
135.04440	0.5
149.03960	0.5
163.04015	1.1
165.01956	4.8
173.04669	0.9
182.03714	0.8
183.03125	0.5
191.05710	0.7
198.03229	2.7
199.03958	0.8
210.03186	1.0
213.05591	1.3
214.02681	2.5
215.03409	1.1
226.02695	4.7
227.03363	1.9
241.01436	0.7
241.05019	2.0
242.02226	17.7
243.02956	9.7
245.00897	2.0
254.02199	9.7
255.02754	1.5
257.04562	11.3
258.05194	1.6
269.04541	8.5
270.01733	17.7
270.04849	1.4
271.02448	18.2
272.02945	1.4
285.04047	15.8
286.04620	3.3
298.01196	5.5
299.01981	23.6
300.02292	3.4
301.07138	1.4
313.03543	100.0
314.04254	45.4
315.04706	4.5
328.05902	73.7
329.06641	95.8
329.23331	1.1
330.03040	0.3
330.06985	9.3
341.06982	0.5
371.07791	1.2
491.11938	92.0
491.27896	2.5
492.12253	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	490.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06441	0.5
57.03453	22.1
58.03812	0.4
59.01384	17.9
61.98836	92.9
65.00340	1.0
65.62232	0.4
69.64024	2.6
69.64444	1.1
71.01378	6.2
73.02954	4.1
78.12478	0.4
83.01413	1.5
85.02979	1.7
89.02450	4.3
93.03489	0.8
95.01441	0.7
97.06625	0.6
99.04539	22.0
100.04855	0.5
101.02467	11.3
101.03090	0.9
102.02821	0.7
109.02988	1.2
113.02460	3.1
113.06110	0.7
114.05672	0.5
119.03541	1.2
120.07676	0.5
123.04526	2.9
125.02470	9.7
131.03554	1.0
132.02200	2.2
133.02953	0.7
134.03769	0.6
135.00919	1.4
135.04556	1.1
136.98840	1.9
137.02493	1.0
143.03532	2.1
143.04442	0.5
147.04518	2.3
149.04550	1.6
152.01216	0.6
153.01961	0.9
160.01682	1.2
161.02455	1.4
161.04561	2.8
163.00377	3.2
164.98305	1.7
165.99130	0.5
170.03734	0.9
173.04590	1.3
175.04047	1.8
179.03563	0.9
179.05615	1.8
191.05640	1.9
198.03268	1.5
199.04243	0.4
214.02736	1.9
221.06674	1.3
226.02802	1.3
227.03535	0.8
242.02226	4.6
253.01546	0.5
254.02266	0.8
255.03021	1.0
257.01010	1.0
259.95508	0.5
267.03003	0.6
269.00854	2.3
269.98767	1.0
270.01694	15.9
271.02438	2.8
282.01639	2.7
283.02570	0.9
284.03424	1.1
285.04074	6.7
298.01208	28.3
299.01968	4.1
299.05334	0.9
300.02774	1.8
312.02731	2.2
313.03549	86.5
314.04404	4.9
315.05069	1.9
325.12872	0.6
327.05045	4.8
328.05838	3.4
329.06757	1.0
347.17239	1.2
427.16098	10.6
428.16394	1.6
476.09628	13.0
490.27539	0.6
491.11945	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	490.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41229	0.4
56.76472	0.4
59.01383	1.3
61.98842	0.5
66.03492	0.6
69.03465	10.5
71.01385	0.8
71.05024	0.6
71.69641	0.6
72.00904	0.5
72.99304	0.9
75.00883	29.9
81.03483	0.5
82.02997	1.6
82.61302	0.4
83.05054	0.7
84.04549	0.5
84.74593	0.4
85.02966	0.5
89.02443	1.0
93.03483	1.3
94.03014	0.9
96.00914	0.5
98.02489	5.6
99.00896	0.6
101.02473	0.5
106.04273	0.6
112.04076	1.5
115.00383	0.9
117.01952	0.7
118.78276	0.4
119.05089	0.4
124.00430	0.4
126.01974	0.6
130.10077	0.4
134.06110	0.7
135.03026	17.0
136.07668	0.7
151.00366	0.5
153.12851	2.8
162.05663	1.2
171.01816	2.2
171.13863	0.4
174.09276	1.6
179.14502	2.1
180.49529	0.5
181.15985	3.7
191.05637	0.7
192.06657	0.8
196.17058	1.9
208.17238	0.4
209.15553	0.6
218.08241	13.9
219.08633	1.1
220.17091	3.3
222.18640	6.2
223.19095	0.6
224.16606	3.1
234.14909	0.6
236.16583	2.7
237.14980	1.0
238.18137	0.9
245.22270	0.4
248.16582	4.1
248.81596	0.4
249.14825	0.6
252.16052	10.5
253.16342	1.1
266.17749	1.9
279.15936	0.8
280.15567	16.8
281.15857	1.6
306.17001	2.8
316.22769	0.4
328.22778	3.3
344.05093	0.4
366.19287	1.1
368.22235	0.8
372.21832	100.0
373.22186	15.4
386.23370	2.3
400.21347	6.6
401.21622	0.9
412.21393	1.1
490.10904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.98829	0.8
64.17474	0.3
69.03460	0.5
69.40522	4.0
72.98956	0.3
77.39349	0.3
84.95124	0.4
85.02959	0.6
93.03482	0.8
97.03055	0.4
99.92594	8.7
100.92587	0.7
111.00948	0.7
113.02534	0.4
115.42195	0.3
116.92879	100.0
117.92883	7.4
124.01688	0.4
127.07565	0.3
135.03044	0.4
135.04552	0.4
146.01891	0.4
147.08583	0.3
165.86201	0.3
173.01010	0.5
173.04643	0.7
181.16016	1.1
183.02927	0.4
191.05669	1.9
197.15468	0.5
209.15570	0.6
218.93050	0.3
221.15498	0.5
234.89775	0.4
237.15004	1.0
265.14322	2.0
266.14771	0.6
293.13934	13.4
294.14258	1.2
325.16559	0.8
353.16122	0.8
361.16501	0.4
371.17029	0.7
489.21628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98206	0.3
53.74066	0.3
59.01378	0.8
61.98835	100.0
63.69587	0.3
70.54407	1.1
78.95938	1.0
84.77576	0.3
87.57212	0.3
92.97474	0.3
93.03493	0.3
98.19917	0.3
120.00111	0.3
131.80934	0.3
134.89516	0.5
135.73511	0.3
191.05574	0.5
218.53288	0.3
225.79369	0.3
274.00510	0.3
426.30118	0.4
510.74133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07071	0.7
59.01369	2.4
60.89914	0.7
61.98835	10.8
71.70049	1.4
72.55711	0.6
78.73997	0.7
78.95930	0.9
80.82880	0.6
88.98799	0.7
98.02505	1.2
100.04102	1.2
104.05077	1.2
109.03076	0.7
109.67807	0.7
119.40392	0.7
131.03770	1.3
169.16046	1.4
191.17929	0.7
193.15973	1.0
195.17606	1.0
196.65588	0.7
218.19037	1.1
225.14938	1.2
244.17131	3.7
244.20662	1.3
245.40327	0.7
246.22284	23.9
247.22620	3.3
258.18582	4.4
259.19135	0.8
270.18689	2.9
272.20361	0.9
273.21048	3.7
274.21735	0.9
286.21756	3.7
320.37332	0.8
321.16855	0.8
345.31677	4.0
358.31186	59.6
359.31549	8.4
382.34906	2.1
400.35889	100.0
401.36209	20.9
401.41354	1.4
444.34879	12.3
445.35144	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	488.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15869	1.9
59.01373	7.6
61.98842	4.3
71.01376	3.1
71.70401	3.8
72.00936	2.1
72.99316	4.3
75.00885	40.9
82.02976	3.0
83.05024	2.3
84.04109	2.2
84.04570	21.5
85.02968	2.4
87.00878	2.9
89.02443	2.6
93.03452	5.4
96.00933	6.0
96.04562	7.4
98.02494	14.5
101.02458	2.2
102.05612	5.2
102.98638	2.4
103.50787	2.1
111.04547	3.3
117.01984	2.3
125.02509	3.5
126.02033	1.9
126.90425	8.4
130.05112	2.3
135.03026	38.3
135.04520	3.8
146.59258	1.8
153.12917	2.1
158.04634	4.0
165.00732	2.1
167.42415	2.2
171.13863	3.3
173.04585	6.9
174.04076	3.2
179.14433	100.0
180.14749	7.1
182.04559	9.0
184.06194	13.1
185.15436	2.7
188.05655	2.8
191.05649	5.8
195.13876	2.9
197.15582	2.0
221.15440	3.9
236.16466	2.8
237.15083	1.8
249.14888	5.0
250.14471	27.2
251.14749	2.5
266.14703	2.6
273.17102	3.9
274.14606	3.6
280.15515	7.2
291.61017	2.3
292.15536	5.8
316.19214	14.7
336.18179	76.6
337.18604	14.8
338.19800	30.8
339.20041	3.5
360.18271	10.3
365.99622	2.2
366.19043	5.0
378.19180	14.7
396.20197	5.1
410.21912	30.4
411.22177	5.0
447.33307	1.9
487.40408	2.3
489.34314	6.5
495.91315	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	487.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64122	0.4
57.03445	0.6
59.01385	2.0
61.98835	0.7
63.68326	0.3
65.80109	0.4
67.01872	0.6
69.03458	0.4
69.67844	0.3
71.01387	3.9
73.02934	0.6
77.86554	0.4
81.03468	1.0
82.28534	0.4
83.05032	1.6
85.02966	1.0
87.00900	0.9
87.48286	0.3
93.03477	6.5
98.20746	0.7
99.00907	0.5
99.39870	0.4
104.11244	0.4
109.02942	0.7
111.04530	5.4
113.02470	0.4
122.03773	0.4
127.04000	0.7
129.01935	0.6
133.03044	0.5
135.04512	0.9
137.02444	0.9
141.21481	0.4
155.03528	4.8
156.05823	0.4
159.04507	3.5
172.05334	4.9
173.04567	17.3
173.06085	3.7
173.09564	0.4
174.03235	2.7
174.04903	1.2
174.06787	1.4
175.03714	0.5
179.03503	0.7
181.06602	0.5
182.07355	2.6
183.08157	1.0
185.06104	9.6
186.06912	2.7
187.03978	1.1
188.04800	0.9
189.05501	0.5
191.05632	5.8
198.06848	2.6
199.07661	6.0
200.08427	4.7
203.03479	0.7
204.04282	0.5
213.05536	0.7
213.12993	0.5
214.06422	1.4
227.14394	0.6
229.05066	9.2
230.05840	9.9
231.06345	1.2
241.12349	3.6
241.16087	0.5
243.13904	41.1
244.07458	3.9
244.14240	4.2
245.07782	0.5
251.14406	3.8
253.12474	0.6
267.13931	4.2
268.14212	0.5
269.15466	21.8
270.15778	2.6
295.13416	3.3
311.12875	0.7
313.14468	100.0
314.14792	11.7
347.43631	0.4
390.63986	0.4
424.11554	0.4
487.19785	9.0
488.20096	1.7
504.57953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01382	1.3
60.99291	0.3
61.98838	0.2
65.03959	0.2
67.01897	3.8
69.03458	0.9
71.01389	2.7
81.03468	0.8
83.05046	0.8
85.02960	0.6
86.02493	0.2
87.00909	0.4
93.03472	23.7
94.03802	0.9
95.01408	0.2
98.20631	0.3
99.00894	0.2
99.04535	0.3
99.88924	0.1
102.15029	0.1
108.02186	0.1
109.02972	1.1
111.00878	0.7
111.04539	4.5
113.02472	0.3
121.02858	0.1
127.04047	0.4
129.01860	0.1
137.02467	3.7
138.02791	0.2
155.03523	3.8
155.04718	0.2
156.03908	0.1
158.78499	0.1
159.04559	0.3
161.02412	0.1
172.05344	1.0
173.04581	100.0
174.04919	4.3
174.06731	0.7
175.03986	0.2
182.07399	0.3
185.06120	0.7
187.03986	0.2
188.04796	0.3
189.05545	0.2
191.05630	1.5
196.17114	0.4
198.06960	0.3
199.07660	1.8
200.08444	1.3
204.04211	0.1
214.06400	0.3
220.06250	0.2
222.18623	0.1
230.05891	0.1
241.12347	1.0
243.13898	4.6
243.16357	0.2
244.07399	1.0
244.14264	0.7
251.14435	0.6
255.12767	0.1
267.13922	0.3
269.15463	1.9
270.15854	0.2
295.13501	0.4
313.14465	8.5
314.14847	0.9
391.22589	0.4
443.25641	0.2
451.24658	0.4
487.19684	2.5
487.26007	0.2
488.20401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.00592	0.2
59.01386	2.0
60.99309	0.5
61.98840	1.5
65.03967	0.3
67.01898	4.5
69.03465	1.1
69.41625	0.6
69.42045	1.5
71.01397	3.7
72.99332	0.3
81.03466	0.9
83.05038	1.2
85.02959	1.2
86.02460	0.2
86.68743	0.2
87.00890	0.7
93.03476	25.9
94.03796	0.9
98.19846	0.4
99.00890	0.4
99.04550	0.3
109.03001	1.0
111.00920	0.6
111.04539	4.4
113.02482	0.4
115.00379	1.4
124.98943	0.2
125.02448	0.2
127.04035	0.5
129.02048	0.2
133.01460	3.0
133.03011	0.3
135.04538	0.5
137.02481	3.8
142.99921	0.2
155.03532	4.0
156.03870	0.3
159.04582	0.4
161.02475	0.5
172.05313	0.6
173.04582	100.0
174.03365	0.3
174.04919	4.0
174.06578	0.3
178.99998	0.3
179.12062	0.2
181.16043	0.2
182.07368	0.5
185.06102	1.1
186.06767	0.3
191.05649	7.4
192.06087	0.3
196.17072	0.2
198.06839	0.3
199.07649	1.1
200.08453	0.7
229.05070	1.2
230.05911	1.1
241.12434	0.6
243.13918	5.5
244.07399	0.6
244.14163	0.5
251.14674	0.4
265.14514	0.3
267.13943	0.8
269.15460	2.4
270.15784	0.4
295.13455	0.3
313.14465	9.1
314.14789	0.8
335.14932	0.3
389.11227	0.2
431.89960	0.2
451.24509	0.3
474.15408	0.3
487.19821	3.0
488.19659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.6
61.98839	0.6
67.01894	0.4
68.79284	0.3
69.03470	0.3
71.01379	1.8
71.25603	0.7
81.03475	1.0
83.05058	1.7
85.02948	0.8
87.00893	0.8
91.45161	0.4
93.03468	6.4
94.03807	0.3
99.00900	0.5
109.03007	0.7
111.04549	4.7
122.03764	0.5
127.04045	0.7
129.02039	0.6
135.04539	1.3
137.02446	1.0
145.02946	0.4
147.04541	0.5
155.03531	4.9
158.03784	0.4
159.04529	1.7
163.04010	0.5
172.05327	8.3
173.04572	17.2
173.06097	27.9
174.04955	0.8
174.06804	4.9
175.04034	1.5
179.03555	0.5
182.07413	2.3
183.07816	0.3
185.06100	6.6
186.06754	1.0
187.04018	1.7
188.04814	2.2
189.05614	1.3
191.05652	4.4
197.06100	1.1
198.06894	2.5
199.07663	16.2
200.08415	10.8
201.05598	0.6
201.08873	1.1
202.06398	0.4
204.04330	1.9
205.05104	0.4
207.02863	0.5
213.05614	0.8
214.06404	2.5
215.14447	0.6
227.14444	0.4
229.04868	0.4
230.05798	1.2
231.06505	0.3
239.14438	0.7
241.12347	8.9
241.15913	0.7
242.12746	0.6
243.06725	1.0
243.13908	39.9
244.07407	9.5
244.14214	3.8
245.07646	0.7
251.14439	4.9
252.14864	0.5
253.59982	0.3
258.05417	0.7
267.13898	1.7
269.15469	19.0
270.15726	1.8
295.13394	4.6
296.13818	0.6
313.14474	100.0
314.14816	13.0
487.19659	7.5
488.20282	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	486.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36589	1.7
55.74607	1.6
61.98837	100.0
69.86184	1.6
70.68065	4.5
74.00706	1.8
80.57850	1.8
111.06860	1.9
171.14005	3.7
181.16003	4.0
197.15501	3.9
225.14944	6.1
251.16612	2.6
297.89792	1.7
313.88852	1.7
324.20929	1.8
335.73987	2.1
377.30606	5.6
423.31219	7.4
424.31677	1.8
471.39471	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.98830	1.6
69.02825	0.2
71.01382	0.4
71.70966	0.4
73.77985	0.2
80.03644	0.2
82.98365	0.2
85.02942	0.2
86.61566	0.2
88.98825	0.2
93.03490	0.4
109.02975	0.3
113.02395	0.3
115.00379	0.5
117.03465	0.7
119.05043	79.9
120.05382	4.0
121.03040	0.3
123.04583	0.3
127.07578	0.2
133.01454	1.9
133.06631	0.5
135.04517	0.5
137.02583	0.2
137.03905	0.2
145.02975	3.4
146.03336	0.2
147.04504	0.5
161.04744	0.2
161.06104	0.9
163.04027	100.0
164.04359	6.0
169.01448	0.3
173.04579	0.8
179.03625	0.4
187.04037	0.4
191.05656	1.9
205.05055	0.7
243.20094	0.2
244.25070	0.2
269.08148	0.3
313.07123	0.2
325.09286	17.7
326.09506	1.9
487.34399	0.2
505.39835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
58.34161	0.1
59.01381	1.0
61.98833	100.0
62.98530	0.2
63.85091	0.1
67.01884	0.1
71.01395	0.5
71.71227	0.2
71.71623	0.2
78.95936	0.3
83.01385	0.1
85.02986	0.2
93.03481	0.9
99.92622	0.2
109.03011	0.4
111.04580	0.2
115.92093	0.4
116.92908	0.8
121.03072	0.2
123.04552	0.4
123.81702	0.2
133.03033	0.5
134.03757	0.2
135.04564	0.5
137.02513	0.2
144.99524	0.1
145.03003	0.2
151.04060	0.2
162.03453	0.1
163.03960	0.2
173.04608	1.0
174.05017	0.2
177.02031	0.3
191.05690	0.9
211.92743	0.1
221.95703	0.1
246.11104	0.1
268.07425	0.3
269.08316	0.7
275.09195	0.3
276.09723	0.2
307.06360	0.2
323.05771	0.2
341.06653	0.2
363.05286	0.3
393.06201	0.2
448.09637	0.3
486.20358	0.2
486.32980	0.2
487.10507	2.6
487.16898	0.3
487.25763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85546	1.0
57.03456	1.9
59.01375	6.3
61.98827	3.8
66.03474	1.3
69.03459	11.7
69.77210	1.0
71.01368	2.8
71.05043	1.7
71.09569	1.1
71.70433	1.7
72.99308	2.7
75.00885	19.5
80.02696	1.2
80.05066	2.3
81.03439	1.3
82.02982	1.5
86.02487	1.8
87.00896	2.2
89.02477	3.1
93.03463	3.1
95.01351	1.5
95.81119	1.1
96.00931	2.1
97.85284	1.2
99.00880	5.2
100.00416	3.3
100.86115	1.2
104.03531	1.2
108.04563	1.3
109.02926	1.0
112.04064	4.5
114.01999	1.4
115.00365	1.8
116.04883	1.0
116.18542	1.0
117.01958	1.4
123.00929	5.7
123.04529	1.3
124.00463	1.3
124.04066	91.8
125.02444	3.2
125.04401	4.1
130.01462	5.0
135.03023	39.0
137.02440	3.3
139.27129	1.1
147.04503	3.9
148.04849	3.1
173.04462	2.7
181.16010	4.3
191.05609	3.6
197.19083	3.3
199.16988	5.2
207.17532	6.4
209.19157	5.4
223.17038	2.3
223.20644	2.1
225.18581	2.3
227.76202	1.2
237.18596	3.2
248.20174	8.7
250.21754	8.2
260.20184	2.5
262.21823	4.4
264.19659	1.6
265.14383	3.1
265.18127	2.0
266.21255	1.4
276.19760	6.0
278.21286	5.6
288.19647	2.2
290.21240	1.7
292.19247	11.9
294.20779	2.0
301.18011	2.5
302.18472	6.0
306.20764	100.0
307.21140	10.9
308.18680	4.8
312.21805	4.6
322.20456	2.9
324.21863	26.0
325.22141	3.7
334.20264	16.6
335.20636	2.3
346.20120	1.7
350.19696	1.8
352.21317	3.7
364.21246	3.1
366.19363	2.3
368.20816	28.9
369.21066	3.4
396.20087	1.9
406.22125	1.6
424.23349	4.2
425.23569	1.4
426.20978	1.2
434.37723	1.2
486.23218	1.9
505.58719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83520	0.2
53.57194	0.1
57.03447	0.2
59.01387	1.2
61.98837	1.8
65.03972	0.2
71.01385	0.5
71.71303	0.2
71.71654	0.2
84.28838	0.1
84.55549	0.1
85.02982	0.2
93.03474	22.3
94.03800	0.8
101.02473	0.3
109.02979	0.3
113.02483	0.1
113.06077	0.3
113.36707	0.2
116.05085	4.2
117.03504	0.2
117.05437	0.2
125.96264	0.2
131.03772	0.3
132.04576	0.3
135.04544	0.3
137.02469	33.6
138.02805	1.4
159.03275	1.2
160.04068	100.0
161.04419	6.0
173.04579	0.6
174.02063	0.2
174.05585	0.4
177.01994	0.7
178.02304	0.4
191.05611	0.3
202.05116	0.7
204.03036	12.4
205.03343	0.8
262.05170	0.4
280.06207	0.5
302.04068	0.2
304.08289	0.7
341.06506	0.2
348.07263	6.2
349.07672	0.7
366.08328	3.7
367.08807	0.5
372.13602	0.2
442.11148	0.2
448.09650	0.3
466.98026	0.2
485.32385	0.2
486.10449	19.5
487.04044	0.3
487.10828	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	486.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.1
59.01374	3.1
65.31390	0.8
67.75595	0.7
69.03466	10.0
71.01388	19.8
71.05028	0.8
71.07995	2.1
72.00910	1.0
72.99326	1.1
75.00455	1.0
75.00880	18.1
75.01290	1.2
76.95880	0.6
80.05061	1.3
82.02998	2.9
87.00891	1.5
88.04058	1.3
89.02456	2.9
94.03039	1.3
96.00940	0.9
98.02496	43.7
99.00895	2.4
99.02814	0.9
108.04556	2.0
110.02494	0.8
114.01990	1.1
114.05640	1.7
115.00397	35.2
116.00737	0.9
117.02032	1.1
124.04065	0.8
126.02006	2.3
126.05651	1.6
128.03447	0.7
132.03059	4.4
135.03029	31.0
137.02437	0.8
138.02010	1.4
138.03195	1.0
148.04034	1.1
150.01965	0.8
153.12924	3.5
158.00986	3.6
165.04323	2.2
166.05148	5.7
169.16011	2.0
170.04623	34.2
170.94084	0.7
171.13965	1.5
173.04576	0.7
179.14415	3.9
181.16011	7.8
188.02124	1.1
194.15536	0.8
195.13976	1.4
196.03841	0.7
196.17101	15.7
196.18840	1.3
197.15532	1.4
197.17371	1.5
220.17085	3.1
222.18555	1.5
224.16566	5.6
234.15025	1.6
234.18649	2.4
236.16534	4.9
236.20207	1.2
237.14955	1.6
248.16542	4.7
250.14516	8.3
252.16058	60.0
253.16431	5.5
262.18146	5.2
263.14911	0.7
268.19342	3.4
278.17572	2.7
280.15555	75.3
281.15878	7.5
292.15646	1.8
294.20892	1.3
308.18628	1.5
312.18198	16.5
313.18488	1.5
320.18732	7.6
321.19067	0.9
322.16690	0.9
324.18182	100.0
325.18478	12.2
326.19925	0.8
350.15927	0.8
352.17612	1.7
353.16034	2.4
366.15588	1.3
368.17160	22.3
369.17468	2.9
380.20813	11.8
381.21249	1.5
396.16528	0.8
426.17624	0.8
486.19791	17.7
487.20239	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	485.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03443	1.4
59.01381	15.0
61.98838	0.8
67.01894	1.9
70.24979	2.7
71.01388	17.2
72.99303	1.0
73.02955	4.4
80.71094	0.5
83.01417	1.3
83.05030	1.0
84.36062	0.6
85.02958	7.7
86.00099	0.8
87.00879	7.0
89.02461	6.8
93.03463	13.4
95.01396	1.7
96.96033	0.6
96.96962	0.7
99.00889	1.8
101.02457	10.2
108.02186	0.7
109.03009	0.8
110.57095	0.5
111.00861	0.8
111.04527	4.6
113.02471	6.3
113.77779	0.5
119.03488	2.8
127.04007	1.3
129.01938	0.9
131.03496	3.7
134.03743	1.1
136.01721	0.7
137.02451	1.6
143.03526	0.6
145.07765	1.0
146.04839	1.2
147.04514	1.1
148.05342	1.0
155.03516	3.7
159.03009	1.1
159.04381	0.6
160.06429	3.3
161.02466	2.0
161.04584	5.7
161.07220	40.4
162.07556	2.1
173.04567	26.2
174.04868	0.7
175.04050	0.8
175.07356	0.9
175.08792	15.0
176.04803	17.0
176.09091	1.3
177.05125	1.2
177.09227	20.0
178.09589	1.8
179.05629	0.6
187.07486	5.5
187.08905	1.5
189.06709	60.5
190.06886	4.3
191.05624	40.3
192.06017	1.6
201.10359	0.7
202.06381	3.3
203.08296	13.9
204.04233	0.8
204.08582	1.2
205.08704	29.0
206.08911	2.7
221.06660	4.6
229.09837	1.1
231.10243	5.3
233.08214	2.3
249.11317	31.7
250.11665	2.7
257.08231	1.9
261.06155	1.4
267.12363	11.9
268.12625	1.0
277.12021	0.9
293.10394	3.7
305.11414	8.0
311.05374	0.8
311.11334	1.6
323.12445	1.4
449.14667	1.2
467.15628	13.7
468.16058	2.1
485.17471	100.0
486.17761	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	485.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60313	0.7
57.03443	0.9
59.01384	6.1
60.99294	1.3
67.01900	4.8
69.03451	0.9
71.01395	5.7
71.03295	2.1
73.02933	0.9
78.95918	6.1
81.03455	1.5
83.05027	1.7
85.02966	8.2
87.00886	5.6
88.56025	0.7
93.03471	31.0
94.03837	0.9
95.01383	0.8
96.96040	5.9
96.96977	13.3
99.04517	1.4
107.44279	0.7
108.02171	0.8
109.02965	1.9
111.04552	6.9
125.09783	0.8
127.04019	1.8
129.01979	0.8
131.63335	0.8
134.03758	4.1
135.04568	1.8
136.01678	2.7
137.02460	2.9
146.03729	0.8
147.04530	2.1
148.05418	0.8
149.06013	0.7
155.03548	6.1
161.02512	1.6
164.21103	0.8
171.03006	1.0
172.05344	1.2
173.04573	60.5
173.91634	0.7
174.03323	1.5
174.04924	2.4
174.54460	0.7
175.04063	1.1
175.07683	1.2
176.04811	26.4
177.05228	1.4
177.09232	31.5
178.09547	1.8
187.07684	12.6
190.06357	4.6
191.05629	100.0
192.06012	4.7
202.06387	3.8
203.07120	2.7
205.08708	52.0
206.09087	3.7
215.07133	0.9
231.10265	8.8
232.97424	0.8
233.06346	1.5
233.08255	2.3
249.11324	52.6
250.11584	4.7
257.08154	0.9
261.06091	2.4
267.12375	17.3
268.12634	1.4
275.09256	2.0
293.10272	5.7
311.11398	4.0
312.11734	1.0
467.15591	26.3
468.15817	4.9
485.16675	68.5
486.16962	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	485.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77086	0.2
55.68220	0.2
57.03480	0.2
57.09281	0.2
59.01387	1.0
61.98824	0.5
71.01385	1.1
71.26170	0.2
71.26504	0.4
72.99339	0.3
73.02950	0.4
78.95918	0.5
81.03478	0.4
83.01419	0.4
83.05048	0.9
85.02971	0.7
87.00919	0.6
89.02438	0.2
93.03469	2.5
96.96024	0.3
96.96969	0.2
99.04554	0.3
101.02486	0.5
108.02191	22.1
109.02421	0.5
109.03011	0.9
111.00927	0.3
111.04530	1.9
113.02487	0.3
116.92866	0.6
116.95628	0.2
123.04545	10.1
124.04879	0.4
125.02464	0.2
133.01450	0.3
133.02914	0.5
135.04555	0.5
137.02480	0.5
146.03862	0.2
152.01178	49.7
153.01523	2.2
155.03526	1.5
159.04532	0.4
161.02512	0.3
167.03519	100.0
168.03857	5.0
173.04582	5.5
174.04938	0.3
176.01225	0.5
176.04814	0.7
177.01947	5.4
177.09200	1.2
178.02324	0.3
179.03558	0.4
179.05612	0.3
187.07686	1.2
191.05629	6.0
191.07339	0.3
192.05983	0.5
202.06511	0.4
203.10805	0.3
205.08675	1.5
219.10289	0.5
223.09666	0.4
231.10255	2.2
233.08231	0.7
237.05681	0.3
249.11301	2.0
250.11716	0.2
267.06583	0.5
267.12372	0.6
293.04355	0.5
293.10150	0.5
299.07809	0.3
311.05624	0.7
311.11346	0.7
329.08792	2.0
455.88693	0.3
467.15860	1.4
473.29941	0.2
485.12161	4.8
485.32413	0.8
485.39267	0.2
486.13132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50871	0.7
57.03447	6.4
59.01381	13.7
61.98834	12.8
67.01881	3.9
69.03452	0.9
71.01390	9.3
72.01719	1.2
72.07759	0.8
72.99310	1.9
73.02967	1.7
75.00883	0.9
78.95909	1.0
81.03488	1.7
83.01408	2.4
83.05036	2.7
85.02961	6.5
87.00894	5.2
87.01353	0.8
88.98839	2.1
89.02459	3.2
93.03467	24.3
94.03812	1.3
96.96993	1.0
97.03002	1.1
99.00902	1.0
99.04566	5.3
99.57248	0.9
101.02454	6.4
102.09554	0.9
107.01400	1.0
108.02195	1.1
109.02964	7.3
111.04526	8.6
113.02482	3.3
119.03507	1.4
119.05091	1.0
121.02962	1.4
122.03793	1.3
123.04532	2.1
125.02473	3.5
127.04017	2.0
129.01979	1.4
130.04279	1.1
133.03015	1.5
134.03755	5.9
135.04568	6.2
136.01741	1.9
137.02483	7.6
139.04114	0.9
143.03615	1.1
143.08710	0.9
145.02991	1.9
146.03755	2.6
149.02516	1.1
151.00444	4.1
151.04015	2.9
151.07764	1.7
153.01886	1.5
155.03537	7.4
158.03719	4.0
159.04533	6.7
159.08173	3.6
160.03940	1.5
161.02499	1.8
161.04633	4.2
161.05922	0.9
161.09657	1.2
167.03630	1.0
172.05321	7.6
173.04604	72.6
173.06093	12.7
174.03253	2.5
174.04944	2.4
174.06857	6.2
175.07603	4.6
176.04843	1.4
177.01961	1.0
178.02902	0.9
178.99892	1.2
179.03502	2.1
179.05722	1.1
185.09709	1.4
187.04097	7.9
187.07664	100.0
188.04535	1.4
188.07993	9.0
189.09187	1.0
191.05632	68.4
192.05936	2.9
200.04825	1.4
201.05569	8.9
201.09268	2.3
201.12854	1.5
202.06374	39.5
202.09996	3.1
203.06984	5.9
203.10835	7.8
204.11464	2.6
213.09219	8.5
215.07159	6.9
216.07954	4.4
217.08064	1.0
219.13959	3.0
228.04205	1.5
229.08693	5.2
231.06598	4.6
231.10265	87.0
232.10580	8.4
243.03038	1.4
243.14204	1.0
246.05507	2.4
247.06410	12.1
255.03015	4.5
257.08200	5.3
262.08661	1.5
263.12915	9.2
265.07492	2.9
271.02460	7.6
272.02927	1.1
275.09247	56.5
276.09476	5.5
280.09830	10.3
283.02567	1.1
284.03143	1.1
285.04160	7.4
286.04279	1.3
293.10202	2.5
300.02744	15.2
301.03458	11.5
302.03723	2.5
311.06796	1.0
311.11392	2.5
323.09940	2.5
324.08908	1.3
334.32758	0.9
413.03766	1.2
447.09378	22.3
448.09637	3.0
449.14709	30.3
450.15002	4.6
467.15561	5.7
484.23047	2.6
485.11459	9.4
485.23157	3.8
485.32294	1.1
486.12039	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	484.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88636	0.7
55.01885	0.9
56.89345	0.7
57.03434	1.0
59.01367	2.5
60.63749	0.7
61.98839	4.8
64.11195	0.7
65.11276	0.6
69.03470	8.7
71.01383	1.7
71.05000	1.0
71.58092	1.7
72.99313	1.8
75.00887	16.5
78.95917	1.9
80.91723	1.1
82.02975	1.1
84.04554	2.3
85.02950	3.2
88.42381	0.6
89.02460	2.2
93.03461	1.0
98.02496	52.8
99.02818	1.3
100.04061	0.7
102.05632	1.1
112.04103	1.0
113.08644	0.6
122.06133	1.7
123.03276	1.9
135.03033	30.7
136.95636	0.8
137.02524	1.7
140.07202	1.9
140.10869	3.8
142.99812	1.0
150.09320	0.7
152.07193	7.1
153.12903	2.1
156.06635	1.5
165.01907	1.6
166.05151	1.2
167.06168	1.6
168.10330	52.1
169.10648	3.0
169.15987	1.1
173.04588	0.9
179.14392	2.0
181.16028	8.2
184.06169	33.1
185.06487	1.7
191.05611	0.9
192.06580	0.9
193.16014	1.0
195.13834	0.8
207.17555	2.8
208.09798	2.6
209.15543	0.9
209.19176	1.3
235.15785	0.8
236.16521	0.8
264.19696	1.2
276.19699	1.0
276.23358	1.8
278.24872	2.3
280.15787	1.5
280.19177	4.7
292.22879	1.2
294.24362	2.1
301.18234	4.4
304.22858	4.7
304.87402	0.8
305.23322	0.8
308.18683	5.9
309.19217	1.0
314.93674	0.8
320.22125	2.5
322.23889	40.8
323.24149	5.5
348.21564	1.0
350.23328	6.5
354.23038	1.3
362.23450	2.3
364.21210	1.5
366.22888	100.0
367.23270	13.0
394.22543	3.3
410.53436	0.9
422.25555	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	484.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.1
59.01381	1.0
64.39319	0.5
65.63864	0.6
71.01392	17.0
72.99321	2.3
74.95376	0.6
76.50741	0.5
78.95912	1.1
83.01404	0.8
84.02187	1.8
85.02974	1.2
86.00101	2.5
87.00908	1.0
87.92545	29.1
88.98799	1.4
90.94907	2.5
93.03474	1.5
95.89010	0.5
95.89648	0.5
96.96957	0.6
97.02956	1.8
101.02505	0.6
103.92052	33.9
104.92828	28.3
105.93604	5.4
106.94410	1.4
111.00880	0.9
113.94106	0.7
114.94896	4.1
115.00437	0.5
118.94391	0.9
119.91547	0.7
123.94678	12.6
130.94377	7.4
133.01434	1.5
133.02974	1.7
135.04553	0.7
140.96449	1.0
142.05156	0.6
143.95128	0.7
144.95995	1.0
147.94685	1.7
156.95970	2.5
158.93922	3.6
165.81981	0.5
168.95947	1.5
171.94673	100.0
172.95447	4.7
173.04611	3.6
175.94188	1.1
177.01929	1.2
179.03540	0.6
184.95473	2.9
185.96294	2.5
186.93361	0.8
191.05617	6.6
197.96257	2.1
198.97009	2.1
199.94173	1.8
201.92104	4.0
201.95718	31.8
202.96060	1.6
206.97420	0.6
213.95699	2.7
214.08586	0.5
214.94579	0.6
214.96388	3.0
215.97231	2.0
216.98094	2.8
225.95732	2.4
226.96405	0.9
230.62880	0.5
231.96782	5.2
232.97597	1.2
233.98341	1.6
234.99033	1.5
241.95253	2.1
243.96716	0.7
249.97780	6.3
255.96767	2.0
257.98309	22.4
258.98904	2.1
261.97766	1.5
271.96182	1.8
273.97806	7.2
274.98511	2.8
275.99411	1.9
285.97873	1.1
287.99371	6.0
289.00018	0.6
293.08749	1.6
299.99448	0.7
301.97412	1.2
303.98706	1.1
306.00522	5.0
307.00555	0.7
319.98456	1.2
321.96408	1.1
321.99902	8.5
350.61411	0.7
361.99429	2.6
373.99542	1.5
377.23660	0.6
378.02686	2.0
380.00916	1.2
392.00653	1.6
396.03644	43.7
397.03995	4.4
410.01715	2.9
412.03088	9.9
413.03375	0.7
427.01743	2.0
484.01532	10.7
484.13141	0.7
485.01956	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	483.2729
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
51.55861	0.2
62.95249	0.2
68.33843	0.2
70.41045	0.5
70.41433	0.4
75.48210	0.2
77.62829	0.2
78.95908	8.3
79.56648	0.2
79.80833	0.2
85.60509	0.2
88.38109	0.2
96.96987	0.5
98.20559	0.3
107.49243	0.2
152.99609	16.7
171.00690	1.2
217.33585	0.2
227.03233	3.2
245.04314	1.3
255.23286	100.0
256.23630	10.9
259.46790	0.3
483.27283	37.5
484.27603	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	483.2025
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
57.03444	2.0
58.91973	0.5
59.01369	1.0
60.88198	0.7
61.98824	2.3
69.03461	0.9
71.05010	0.6
71.71964	0.7
81.03470	5.4
82.03844	0.6
83.01398	3.2
93.03481	1.4
95.05032	4.0
96.96028	0.7
97.02972	2.7
99.04540	3.7
105.03461	0.9
109.02983	2.2
117.03477	0.8
119.05116	0.6
121.02988	1.4
123.04535	1.6
125.02471	11.5
132.02208	0.6
133.03003	1.8
135.04590	0.8
137.02483	17.4
138.02834	0.8
139.04036	1.5
145.02994	1.4
146.03734	2.1
147.04501	1.6
149.02441	0.8
151.00372	1.4
151.04010	1.1
159.04562	1.3
160.01678	1.4
161.02467	10.7
162.03242	3.7
163.00446	1.3
163.04050	3.1
164.01147	1.1
165.01950	6.7
167.03522	16.4
168.03835	0.7
171.04536	1.0
172.05348	1.6
173.02492	1.4
174.03244	4.2
175.04028	6.5
176.04709	0.7
177.02010	0.7
179.03552	0.7
180.35826	0.6
187.00308	1.1
187.04031	1.3
188.01103	1.9
188.04710	0.7
189.01956	51.1
190.02551	5.4
191.03467	1.7
197.15530	0.7
199.03973	1.1
200.04810	1.2
201.05528	0.8
202.01105	0.7
202.02715	3.2
203.03523	5.7
207.03055	1.1
214.02805	0.8
224.04692	0.6
225.05617	0.6
239.03386	0.8
239.07092	0.8
241.05034	0.9
255.03093	1.0
259.17102	0.9
265.04999	1.2
271.02524	0.7
271.16974	3.4
273.14725	0.8
274.15771	0.8
275.16583	0.9
283.06122	1.4
287.13684	0.7
287.16577	3.7
293.04553	1.4
299.16589	4.9
300.02774	1.8
300.16980	0.8
301.03574	1.2
301.14423	1.9
301.17996	1.2
302.15250	47.4
303.15707	6.5
304.16098	0.6
311.05573	0.7
315.16187	4.2
316.16531	1.6
317.17615	7.1
318.17935	0.9
327.16095	1.3
329.17624	0.9
345.17157	2.9
351.20166	0.7
357.17093	1.5
393.20596	0.7
397.20285	0.9
411.21701	0.7
437.19513	1.1
439.20990	0.8
447.09409	3.8
448.09540	0.8
455.20163	0.8
483.20258	100.0
484.20624	20.7
484.27493	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	483.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66751	0.6
57.03444	1.0
59.01382	5.9
61.98831	11.1
67.01904	3.6
69.03448	1.2
71.01388	6.7
71.70584	0.7
73.02943	1.8
81.03465	0.8
83.01379	1.6
83.05035	0.6
85.02989	3.6
87.00853	0.9
89.02457	2.4
93.03476	21.2
94.03804	1.8
99.04546	0.9
101.02468	4.4
108.02209	1.0
108.38212	0.7
109.02968	2.1
111.00878	1.0
111.04536	4.6
113.02453	2.6
119.05050	16.3
119.05897	0.8
121.02966	0.9
125.02451	0.8
127.04015	1.3
133.02980	0.9
135.04544	3.4
137.02457	6.3
138.02809	0.6
143.31125	0.6
145.02992	2.2
145.10826	0.8
151.00395	2.0
152.99583	0.9
155.03546	3.3
161.02487	0.8
161.04581	2.7
163.00377	1.1
163.04028	16.6
164.04335	1.1
173.04568	100.0
174.04878	5.1
178.99899	1.1
179.03497	1.4
191.05629	13.1
192.05933	0.9
195.90494	0.6
212.76965	0.7
217.86597	0.5
243.03000	1.0
255.02913	3.2
256.03448	0.8
271.02457	6.9
272.02927	1.2
291.18030	1.0
300.02728	13.0
301.03503	12.2
302.03918	1.6
315.18045	3.2
319.08261	1.8
337.09277	40.6
338.09656	4.4
423.22177	2.8
447.09305	22.6
447.22290	22.8
447.28503	0.9
448.09683	3.6
448.22498	3.0
483.20016	73.1
484.12695	1.0
484.20279	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	483.2004
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
52.20855	0.9
57.03447	3.1
59.01385	8.4
60.99294	1.2
61.98835	19.7
67.01870	3.1
69.03439	1.4
71.01384	10.2
71.71461	1.1
73.02954	4.3
83.01379	1.3
85.02965	5.1
87.00858	1.0
89.02480	1.5
93.03469	25.2
94.03807	1.9
94.11658	1.0
99.00914	1.7
99.04576	1.1
101.02436	5.9
108.02187	1.1
109.02976	2.9
111.00877	1.1
111.04524	6.4
113.02474	4.3
114.96925	1.0
119.05051	15.4
121.02943	1.3
123.04600	1.0
125.02448	1.5
127.03999	2.1
130.02835	1.0
135.04541	3.7
137.02492	5.9
145.02983	2.6
150.10146	0.9
151.00360	4.2
155.03526	5.8
156.95584	0.9
161.04552	2.9
163.02724	1.5
163.04031	18.3
164.04361	1.1
173.04575	100.0
174.04909	4.5
176.83057	0.9
177.02002	0.9
178.99854	2.7
179.03572	1.9
191.05605	14.4
192.06020	2.0
215.18513	1.0
243.02916	2.4
255.03111	6.2
271.02475	11.0
291.18152	1.9
300.02771	24.8
301.03448	17.3
302.03632	1.5
315.18213	4.0
319.08276	2.2
337.09311	35.2
338.09628	4.3
423.22174	6.0
447.09351	35.5
447.22348	28.9
448.09631	4.5
448.22629	3.0
483.20038	82.9
484.20364	11.2
485.70050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.5
59.01380	3.7
61.98838	8.8
62.81059	0.3
67.01900	3.4
69.03465	0.6
71.01386	3.5
71.18235	0.9
72.99319	0.4
78.95911	3.1
80.01768	0.3
81.03476	0.8
82.95437	1.2
83.01403	0.6
83.05037	0.7
85.02962	1.3
87.00898	0.8
88.54359	0.3
89.02466	1.0
89.41533	0.3
93.03474	21.6
94.03815	1.1
99.00874	0.5
99.04540	1.7
101.02460	0.9
102.03514	0.3
104.97678	0.3
109.02973	1.0
111.00920	1.2
111.04537	4.7
113.02450	0.9
113.06088	0.5
119.05047	13.6
119.05898	0.7
120.05416	0.8
125.02461	0.5
127.04003	0.5
132.99638	0.4
133.02985	0.5
135.04549	1.1
137.02473	6.0
143.99210	0.4
145.03009	1.4
151.00388	0.4
152.99615	3.3
155.03545	4.7
161.02510	1.2
161.04570	0.4
163.04037	19.3
164.04388	0.7
173.04576	100.0
174.04907	4.5
179.03447	1.0
191.05641	3.8
209.30185	0.3
222.08578	0.3
255.02980	0.6
271.02649	1.7
271.05106	0.3
277.16626	0.4
281.06616	0.4
300.02795	2.7
301.03601	2.8
302.03714	0.3
314.04794	0.3
319.08191	1.2
337.09302	47.0
338.09686	5.4
379.89825	0.3
409.35614	0.4
421.20728	0.6
447.09363	5.2
448.09592	0.8
483.12976	0.7
483.24429	1.8
483.33276	1.3
484.24194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57682	0.2
55.50943	0.2
57.03454	0.9
59.01375	2.2
60.99314	0.5
61.98838	3.5
65.03979	0.5
67.01894	3.3
68.55544	0.2
69.03475	0.7
69.51668	2.2
71.01385	2.8
81.03459	0.6
83.01418	0.3
83.05051	1.1
83.18165	0.2
85.02977	0.8
87.00890	0.6
93.03472	28.4
94.03803	0.8
98.20599	0.4
99.00863	0.3
99.04556	0.4
101.02438	0.3
109.02930	1.3
111.00914	0.9
111.04539	4.4
113.02422	0.3
117.03493	1.0
118.88242	0.2
119.05044	22.7
120.05395	1.0
126.85303	0.2
127.04041	0.5
133.02974	0.3
135.04520	0.8
137.02466	12.8
138.02806	0.8
145.02977	5.2
146.03346	0.4
151.00412	0.3
153.01869	0.2
155.03529	6.3
161.02431	0.3
161.74486	0.3
163.04028	29.0
164.04372	1.9
173.04575	100.0
174.04919	4.4
176.53409	0.3
177.01923	0.3
179.03543	0.4
180.36273	0.3
191.05663	4.0
192.05994	0.4
243.03081	0.3
247.20999	0.3
255.02954	0.9
271.02533	1.6
300.02795	3.4
301.03448	2.5
302.04117	0.3
319.08252	5.0
320.08667	0.8
337.09302	50.4
338.09668	5.6
447.09290	5.2
448.09497	0.7
483.12717	1.1
483.20642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61520	0.6
60.94626	0.6
64.89318	0.6
71.53728	1.3
73.11705	0.7
78.95913	41.4
85.96720	0.5
96.96987	3.2
109.46585	0.6
112.17580	0.6
137.34555	0.7
143.40904	0.7
152.99614	61.4
154.00014	1.0
154.81493	0.6
169.09344	0.6
171.00655	17.1
172.00958	0.8
183.58044	0.7
195.13428	0.6
201.56740	0.7
213.77940	0.6
227.03297	2.9
245.04315	100.0
246.04666	4.5
253.21724	62.4
254.22052	7.2
449.97391	0.7
481.25735	50.4
482.26062	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71731	0.5
59.01385	0.6
60.40359	0.5
61.70229	0.4
71.03777	1.0
71.17626	0.5
78.95911	41.7
96.26536	0.5
96.96970	2.8
110.14443	0.5
136.88800	0.5
150.98007	0.6
152.99612	59.1
153.99942	0.9
171.00661	17.0
227.03259	4.2
245.04315	100.0
246.04678	5.0
253.21724	61.2
254.22052	6.0
280.29343	0.5
333.33707	0.6
481.25711	46.8
482.26080	8.6
482.32376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40249	0.2
57.03451	0.5
59.01384	1.3
61.98824	0.9
64.95251	0.4
69.75290	1.5
71.01387	1.8
71.05042	0.2
72.99320	0.2
81.86584	0.2
83.01414	0.2
85.02971	0.6
85.69953	0.2
87.00885	1.0
89.02447	1.3
93.03475	0.8
96.96041	0.2
96.96991	0.3
99.04528	0.2
101.02457	0.5
103.79025	0.2
109.02961	0.3
111.04529	0.2
113.02504	0.2
116.01781	0.3
116.05084	2.7
119.05026	0.3
128.01750	0.3
133.05092	6.3
135.04526	0.5
136.04849	0.2
146.08258	0.8
147.89418	0.2
155.03568	0.2
159.03258	1.1
160.04065	100.0
161.04414	6.0
165.01823	0.2
173.04616	1.3
174.01913	0.2
174.05614	0.3
176.01210	0.3
179.03543	0.3
184.98239	0.2
191.05618	3.0
202.05098	0.8
203.07111	0.8
204.03035	6.6
205.03368	0.5
208.99060	0.4
210.86208	0.2
265.10748	0.2
269.26981	0.2
275.10699	0.5
277.12250	0.3
304.08237	1.2
309.09546	0.7
322.09317	0.8
348.07254	3.1
349.07422	0.4
366.08273	2.0
367.08356	0.3
438.05014	0.2
438.10605	0.7
470.27246	0.3
482.13040	29.9
483.13593	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	483.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36319	0.8
53.84401	0.7
63.66387	0.8
69.47141	2.6
69.47549	5.0
83.01382	0.9
89.52666	0.8
107.01408	1.8
109.02932	1.2
110.38675	0.9
121.02982	1.8
129.51611	0.8
131.80901	0.8
134.65329	0.9
151.00381	11.5
163.00357	3.5
178.99913	3.9
226.03075	0.9
227.03450	1.6
229.05086	1.2
243.02988	5.8
245.04471	1.0
254.02136	1.2
255.02995	12.6
256.03342	1.7
271.02481	25.5
272.02859	3.3
283.02435	1.9
300.02756	68.1
301.03500	49.4
302.03912	5.9
447.09335	100.0
448.09604	17.5
481.56064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39732	0.3
59.01378	1.5
61.98832	15.6
63.99261	0.4
67.01893	0.4
69.65015	0.7
69.65414	1.6
71.01392	0.9
71.68175	0.3
78.39004	0.3
81.03474	0.5
81.26732	0.3
83.05029	1.5
85.02964	0.5
87.00894	0.5
89.09491	0.3
93.03475	4.0
97.06600	5.9
102.23473	0.3
105.03465	0.6
108.02203	0.6
109.02953	1.2
111.04533	3.9
121.03006	0.4
125.02509	0.4
127.03985	0.4
133.02979	4.1
134.03761	100.0
135.04625	8.8
136.04907	0.4
137.02458	2.8
139.04079	0.8
146.03743	0.4
146.38425	0.3
147.42604	0.3
151.00400	0.8
155.03531	4.6
159.04486	1.2
173.04579	9.7
174.04886	0.6
176.04839	0.5
177.01955	5.5
178.02733	20.6
179.03427	2.4
187.04045	1.1
187.07668	0.6
191.05638	5.1
192.06033	0.5
202.06375	0.4
203.10721	1.7
213.09209	0.5
216.07935	0.5
217.08055	0.3
231.10281	6.0
232.10440	0.5
255.03169	0.4
256.09735	1.3
257.08182	0.3
263.12891	3.4
275.09222	5.0
276.09302	0.7
301.03500	1.3
307.11877	92.6
308.12210	10.2
362.48160	0.3
402.15628	0.3
407.07858	1.0
445.07611	0.4
481.17197	7.9
482.17282	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.3
59.01380	1.8
60.56116	0.2
60.99311	1.6
61.98837	1.1
67.01897	7.3
69.03465	2.3
71.01384	3.8
71.18841	0.5
72.54170	0.2
72.99320	0.3
78.95914	0.2
79.40897	0.2
81.03474	1.8
83.05039	1.5
85.02962	1.0
87.00884	4.6
93.03473	47.0
94.03813	2.0
94.55466	0.2
95.01347	0.2
97.06611	1.2
99.00896	0.5
99.04522	0.7
101.02482	0.4
103.85999	0.2
106.04308	0.2
108.02164	0.3
109.02973	1.4
111.00905	1.0
111.04537	8.1
111.36253	0.2
112.04858	0.3
113.02470	0.6
115.04058	0.5
121.02959	0.3
126.65874	0.2
126.72656	0.2
127.04071	0.3
128.11327	0.2
129.01965	0.7
133.02975	2.3
134.03766	22.3
135.04628	2.7
137.02467	5.5
138.54211	0.2
139.04033	0.4
143.03482	0.3
152.01178	0.2
152.99615	0.4
155.03532	5.4
156.03914	0.2
162.03215	0.2
166.76318	0.2
173.04576	100.0
174.04901	4.9
177.01953	3.1
178.02739	9.7
179.03432	1.1
191.05672	1.4
216.02591	0.2
231.10283	1.1
259.19086	0.3
268.57843	0.2
275.09229	3.4
307.11905	11.0
308.12192	1.2
329.05698	0.2
449.14624	3.2
450.14835	0.5
481.17151	15.4
482.17462	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	480.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05804	0.4
59.01378	1.1
61.98835	100.0
64.57183	0.5
67.01916	0.7
68.99850	0.5
69.03464	0.6
71.01378	0.6
71.70545	0.5
71.70966	0.5
72.99313	2.5
75.00872	3.3
78.95949	0.5
81.03458	0.4
85.02975	1.0
89.02473	0.6
89.21541	0.4
97.02962	0.7
99.00899	0.5
108.02219	0.6
108.24192	0.5
111.00900	0.5
112.98868	1.6
116.92921	0.7
124.01734	0.4
125.02506	0.6
130.99913	1.6
135.01988	0.8
135.03029	15.5
136.03403	0.5
142.99887	1.5
173.00958	2.1
178.06314	0.4
195.17580	5.2
207.17538	2.8
209.15550	1.9
211.17168	1.2
219.17702	0.6
223.17119	1.8
235.17047	1.2
239.16591	0.9
245.50774	0.4
246.64743	0.4
249.07967	0.4
251.16521	4.9
252.16978	0.4
263.16565	3.0
265.18091	1.6
279.16031	25.6
280.16364	3.7
281.17740	1.7
293.17569	10.5
294.18030	1.2
295.19177	0.6
299.18805	0.8
307.15543	7.9
308.16089	1.6
311.18680	0.7
339.18277	2.0
341.19568	0.5
355.21396	0.6
367.17624	0.8
385.18909	1.1
399.20303	1.0
480.22183	0.8
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	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
56.05197	0.4
60.63495	0.4
61.98815	1.9
71.70633	0.6
78.95911	18.1
94.62094	0.4
94.78271	0.4
122.00169	0.6
124.94949	0.4
140.01201	5.0
152.99629	2.3
170.46786	0.4
196.03807	9.3
214.04929	1.8
229.93004	0.4
255.23395	1.4
283.26437	100.0
284.26746	12.1
363.11932	0.6
375.60776	0.4
383.60242	0.4
480.30994	37.9
481.31436	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	480.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60535	0.9
55.68375	1.0
58.91029	0.9
59.01381	1.2
61.98833	100.0
73.76164	1.0
75.00861	1.7
78.95925	1.1
79.21708	1.1
88.04039	1.1
89.02460	1.1
112.98827	2.0
116.92851	1.3
117.92097	1.0
124.01643	1.0
127.73139	1.0
135.02997	5.4
142.99892	1.9
173.00941	1.5
191.05658	2.5
195.17558	9.0
207.17587	5.7
223.17041	3.2
229.71091	1.6
235.17039	1.3
239.16458	1.2
251.16475	6.3
253.21730	4.2
279.16028	61.7
280.16449	6.3
281.17563	1.7
299.18579	1.0
307.15442	4.5
339.18204	1.4
358.30984	2.0
480.34595	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	480.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64722	0.6
57.03458	0.6
59.01385	3.0
60.99832	0.5
61.98835	100.0
69.80122	3.7
85.02937	2.6
86.28500	0.5
87.00910	0.6
93.03483	2.4
96.96049	0.6
108.02183	1.8
109.03078	1.0
111.04549	1.2
123.04617	0.7
128.93532	0.5
133.91937	0.5
137.02536	0.7
149.06169	0.9
152.01166	1.1
153.01872	0.8
173.04585	4.1
174.04811	0.7
187.04048	0.8
187.07823	0.7
191.05627	26.2
197.17169	0.6
202.06453	1.3
227.03502	17.9
227.05652	1.1
228.03966	1.3
231.10320	1.0
244.90260	0.5
255.02985	23.3
256.03607	3.9
284.03268	30.7
285.03903	10.6
289.10904	0.9
300.02798	0.9
307.11774	1.1
341.07007	1.3
417.08313	55.9
418.08688	8.1
480.12982	0.8
480.20215	2.0
481.05753	0.7
481.17654	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	2.4
69.94810	0.2
70.32454	0.3
70.32857	0.5
78.95919	4.9
98.20454	0.3
140.01215	1.9
152.99596	0.7
174.27148	0.1
196.03862	1.2
214.04909	2.7
225.05522	0.7
237.05466	0.2
253.05086	0.5
254.05850	1.5
281.24872	100.0
282.25214	12.3
286.04813	0.4
311.07773	0.2
316.76599	0.2
358.31180	0.8
376.11435	0.2
377.61185	0.2
406.61334	0.2
452.57126	0.2
463.23276	0.2
478.30020	10.8
479.30405	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	479.0831
Annotation	CHEBI:75817
Peak:m/z	Relative Intensity
57.03428	0.7
59.01373	2.1
61.98837	2.3
63.02408	1.2
65.00331	1.4
67.25832	0.5
69.81906	2.0
69.82320	1.0
71.01382	1.8
81.03433	0.7
83.01394	1.7
85.02976	1.3
87.00893	0.6
89.02441	1.1
93.03468	1.9
95.01401	1.4
99.02946	0.5
99.04557	0.5
101.02456	1.3
107.01385	3.3
108.02206	2.7
109.03003	3.2
111.00893	0.6
111.04490	0.6
123.00938	0.9
124.01676	3.5
125.02470	2.4
133.02975	1.1
135.00925	0.5
135.04529	1.6
137.02454	2.1
137.74750	0.6
140.42740	0.5
145.02910	0.6
147.03343	0.6
149.02382	0.5
151.00397	13.4
152.01180	8.3
153.01872	1.5
158.03758	1.3
161.02498	2.8
161.04581	0.7
162.02878	0.7
163.00398	1.7
164.01196	3.2
165.99043	0.7
169.01460	1.1
170.03699	0.5
171.04514	1.7
172.05247	0.5
173.04544	1.8
174.03229	1.0
175.04037	0.9
178.99879	6.4
179.03493	1.3
180.00169	0.5
180.42989	0.4
183.04558	1.2
185.02338	0.9
186.03253	1.4
187.03981	1.4
188.04768	1.2
189.01907	1.4
191.05629	6.9
192.00626	1.7
192.05992	0.8
193.01358	0.8
199.04004	2.8
200.04694	1.2
201.01860	0.9
201.05321	0.6
202.02740	1.1
203.03487	1.2
205.01416	0.6
209.04546	0.8
211.03969	0.9
211.07654	0.6
214.02777	4.0
215.03502	3.8
216.04315	3.1
217.01288	0.7
217.05055	1.1
218.02156	0.6
226.02782	0.6
227.03532	7.9
228.04034	1.1
229.01439	0.8
232.03551	0.7
241.01445	5.3
242.02162	8.1
243.02931	6.3
244.03773	2.6
245.00929	3.5
245.04442	2.0
246.01616	0.9
253.01166	0.6
255.02979	4.8
256.03558	1.3
257.04504	0.7
270.01706	12.1
271.02460	26.6
272.03204	19.5
273.03818	3.7
285.09576	0.6
287.01834	2.3
288.02728	1.4
298.01193	9.5
299.01981	45.8
300.02374	5.8
301.03333	1.6
316.02246	17.2
316.06329	0.8
316.07605	0.7
317.02982	8.1
317.07245	0.8
369.04617	0.8
435.09341	5.9
436.09686	1.0
461.07224	8.2
462.07620	1.3
479.08270	100.0
479.24493	2.0
480.08640	16.2
503.68066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43474	0.1
54.24548	0.1
59.01381	100.0
60.01712	1.2
60.36981	0.1
61.98840	0.5
71.01402	0.2
86.52685	0.1
101.02473	0.2
102.79581	0.1
118.85521	0.1
410.46497	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.5
57.03451	91.3
58.03788	1.9
59.01384	97.7
59.19431	0.5
60.01704	1.8
61.98831	4.4
68.87659	0.6
70.46638	2.0
70.47005	1.2
71.01388	24.4
72.99327	1.6
73.02950	6.9
75.00900	0.8
81.03474	1.7
83.01397	2.8
85.02970	7.3
87.00877	1.3
89.02456	13.7
93.03504	0.5
95.01406	1.5
98.20548	0.7
99.00894	1.7
99.04537	100.0
100.04868	4.1
101.02458	34.8
102.02782	1.1
113.02470	11.2
119.03534	5.4
122.62650	0.6
123.04591	0.7
125.02467	31.0
126.02797	1.3
131.03520	0.9
133.86633	0.6
137.02521	0.6
141.43604	0.6
143.03522	5.4
144.03903	0.7
149.04626	0.8
159.03015	1.6
161.04576	10.4
179.05606	0.9
194.73796	0.7
203.05705	0.8
207.69438	0.6
300.02594	1.2
301.03595	1.3
315.05099	1.7
315.18039	0.9
333.19183	20.2
334.19452	1.9
375.20288	15.4
376.20544	2.6
415.23352	2.7
433.24573	1.3
477.23419	32.3
478.23920	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	478.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48394	0.2
59.01370	0.3
59.08140	0.2
61.95402	0.2
61.98820	0.7
62.96420	0.3
71.70554	0.2
71.70924	0.3
72.60460	0.2
78.95918	22.7
94.23537	0.2
96.96957	0.3
104.97523	0.2
115.67149	0.2
122.00145	0.8
126.54543	0.2
134.98575	0.4
140.01215	6.0
152.99632	2.4
171.00624	1.2
196.03819	9.6
197.04242	0.4
197.19136	0.3
214.04893	2.7
240.67793	0.2
255.96324	0.2
281.24869	100.0
282.25211	12.5
291.21667	0.2
316.22836	0.4
332.09183	0.3
342.95313	0.2
404.25873	0.2
478.29425	38.0
479.29736	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	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95850	0.7
57.03456	1.2
57.55066	0.5
59.01377	6.6
60.46061	0.5
60.99310	12.5
61.98827	1.2
71.01386	2.5
71.71236	0.8
72.99313	2.5
76.22015	0.5
80.88174	0.6
85.02994	0.8
87.00886	1.3
88.00405	2.1
88.98817	100.0
89.02456	19.4
89.99165	1.7
90.99252	0.7
97.87053	0.6
99.04547	1.6
101.02500	1.1
102.98629	1.4
109.02956	0.7
111.00899	3.0
111.04594	0.6
116.52232	0.6
118.98116	0.9
125.02447	0.7
133.05357	0.7
135.04564	0.8
137.02483	0.8
137.06163	0.7
139.07646	2.5
141.19528	0.6
146.08282	0.6
156.79173	0.6
161.04539	0.6
168.07953	1.0
169.08647	0.6
173.04622	1.3
175.99309	0.6
191.05650	2.9
205.12541	0.7
206.97525	0.8
238.08704	6.5
238.10889	0.7
256.09882	1.5
279.12402	4.8
297.00439	0.6
358.93097	0.7
374.28439	0.7
416.40323	0.6
477.10672	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	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03447	2.6
57.16875	0.8
58.98721	0.9
59.01384	100.0
60.01720	1.6
60.99310	12.2
61.98822	5.3
68.83657	0.8
69.55730	3.4
69.56155	3.8
71.01391	18.7
72.99319	0.9
73.02956	5.5
76.67466	0.8
78.95941	1.7
83.01395	3.1
85.02962	9.3
87.00893	2.2
87.11552	0.9
88.00401	1.5
88.98819	89.7
89.02464	22.2
89.99185	1.7
93.03458	6.0
96.95990	1.5
96.96986	1.7
97.02988	1.6
99.00892	2.0
99.04552	1.8
101.02457	13.1
109.02967	2.6
111.04570	1.9
113.02465	8.3
114.39653	0.8
118.32605	0.8
118.98161	1.3
119.03535	3.9
121.02967	9.0
123.04520	1.5
125.02493	1.2
128.03513	0.9
131.03494	0.9
133.02957	1.3
133.05081	3.6
135.04514	2.4
137.02490	1.5
143.03581	1.5
149.02490	1.4
157.05115	0.9
159.03076	1.2
161.02533	1.4
161.04585	19.9
166.06378	64.3
167.03484	1.1
167.06694	4.2
173.04576	11.5
177.02031	1.1
179.05663	2.3
181.08733	89.6
182.09067	5.3
185.06094	4.2
187.07745	1.3
191.05658	8.7
229.05086	3.0
231.06641	2.0
235.08228	12.1
241.05115	1.1
255.78459	1.1
268.04379	1.8
270.05881	1.3
301.03574	1.3
315.01572	0.9
315.10779	1.3
343.14020	19.0
344.14261	2.0
417.16794	10.9
417.21741	4.9
418.17386	1.3
418.22314	1.2
459.09506	2.1
477.10486	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	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03465	0.7
58.86529	0.4
59.01383	84.9
60.01720	1.1
61.98838	0.8
69.55669	1.4
69.56100	3.0
71.01388	11.8
73.02950	3.8
78.95930	0.5
80.57704	0.5
83.01407	1.4
85.02962	3.3
87.00912	0.8
88.98833	0.9
89.02473	3.4
93.03464	0.7
96.96037	1.1
96.96985	1.0
97.02961	0.5
99.00914	1.7
99.04539	0.5
101.02455	7.9
105.35735	0.5
113.02480	5.1
119.03515	1.8
121.02985	10.0
122.03339	0.8
125.02486	0.8
133.05075	3.1
135.04504	2.9
143.03540	1.4
143.06554	0.5
159.03035	0.8
161.04596	17.8
163.52480	0.5
166.06377	71.4
167.06693	3.8
173.04608	1.9
179.05708	0.7
181.08728	100.0
182.09056	5.1
191.05580	1.5
229.04999	0.6
235.08224	12.4
236.08685	0.6
406.09854	0.5
417.17578	10.0
418.17950	1.9
477.10950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59723	0.2
54.64133	0.2
57.03437	0.8
59.01382	2.2
59.02156	0.2
61.98825	0.9
65.00338	1.1
67.63194	0.2
69.44824	0.5
69.45160	2.6
71.01389	0.6
71.60994	0.2
73.02969	0.3
80.05675	0.2
89.00316	0.5
89.62485	0.3
93.03509	0.6
97.02974	1.0
99.04517	0.9
99.92611	0.3
101.02453	0.7
107.01422	0.5
108.02227	0.4
109.02976	2.7
113.02464	0.3
116.92828	0.4
121.02975	4.5
125.02449	0.3
133.02943	0.4
139.04036	0.4
147.00925	0.5
149.02496	0.4
149.99657	0.4
151.00424	1.2
163.00417	0.8
163.04025	0.3
165.01950	13.6
166.02280	0.6
171.04547	0.3
175.04004	0.6
179.03523	0.3
183.02997	0.4
183.04494	0.4
187.04010	0.5
193.01477	2.8
199.03999	2.0
200.04337	0.3
201.01990	0.4
203.03560	0.7
207.02805	0.2
210.03328	0.3
215.03568	1.2
221.04590	0.3
226.02759	1.3
227.03532	3.1
228.04099	0.8
229.01570	0.3
235.54291	0.3
242.02205	0.8
243.03003	6.3
244.03467	0.8
254.02245	1.7
255.02957	2.1
256.03726	0.6
257.04626	0.3
259.06143	0.5
268.03778	0.3
269.04526	2.2
270.01678	1.1
270.04544	0.3
271.02469	66.7
272.02838	6.8
282.01636	0.5
285.04047	3.2
286.04654	0.7
287.05566	1.2
297.04092	0.6
299.01981	99.6
300.02521	16.1
301.03119	1.2
313.03424	0.5
314.04321	100.0
315.05042	61.7
316.05496	5.2
316.09097	0.2
357.06223	1.0
401.86743	0.3
417.24829	0.3
460.27911	0.3
467.94025	0.3
477.10391	95.3
478.10760	16.1
478.17737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19037	0.1
57.03447	0.3
59.01379	1.3
60.40985	0.1
61.98816	0.5
65.00325	2.2
70.82803	0.3
71.01363	0.3
95.01396	0.2
99.04543	0.3
101.02449	0.4
108.02150	0.3
109.02947	0.2
110.00130	0.6
111.00888	0.3
113.02442	0.2
119.01403	0.2
120.02378	0.1
125.02451	0.2
125.19434	0.1
133.02954	2.1
134.03809	0.7
135.00917	0.2
136.98827	5.3
137.02437	0.2
138.14711	0.2
139.00377	0.4
147.04486	0.1
149.99585	0.7
161.02499	0.3
163.00389	1.8
164.01175	0.4
164.98323	0.7
165.01927	0.4
165.99104	0.8
166.99800	0.2
167.03564	0.2
171.04507	0.2
172.05284	0.4
173.02425	0.3
174.03204	0.6
175.04073	0.2
177.01930	0.3
183.04440	0.2
185.02444	0.3
187.04057	0.2
188.04791	0.4
190.99852	0.5
199.02342	0.3
199.04034	2.7
200.04803	1.1
201.01944	1.4
202.02686	1.1
203.03468	0.3
204.04225	0.2
211.04015	0.3
212.04784	0.2
213.01926	0.5
214.02701	0.4
215.03487	0.6
216.04230	1.4
217.05005	0.4
226.02744	0.2
227.03505	2.2
228.04253	1.9
229.01399	0.3
230.02213	0.5
239.03539	0.1
243.03012	1.7
243.06592	0.5
244.03593	0.5
253.01486	0.1
254.02330	0.2
255.02945	1.9
256.03683	1.5
257.04343	0.2
271.02460	3.9
271.05594	0.2
272.03091	1.2
273.03519	0.2
282.01746	0.2
283.02579	0.8
284.02963	0.2
285.04013	0.2
298.01126	0.2
298.98550	0.2
299.01984	6.5
300.02753	40.6
301.03070	4.3
313.03656	0.3
314.04318	9.3
315.05090	100.0
316.05444	10.5
327.05026	0.3
417.24814	0.4
477.10394	26.0
478.10739	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	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	13.0
58.03788	0.5
59.01382	19.3
60.99288	0.6
61.98829	7.0
63.02387	0.9
65.00323	2.7
70.98019	0.4
71.01390	3.9
71.04967	0.4
71.71539	0.7
72.23878	0.4
72.99306	0.7
73.02952	1.4
83.01399	2.2
85.02953	2.0
87.00896	0.6
88.98808	1.6
89.02462	2.2
91.01917	0.4
93.03465	1.2
97.02945	0.4
99.00882	0.9
99.04533	12.0
101.02467	6.0
104.78101	0.4
107.01411	5.2
108.02216	0.8
109.02976	4.7
113.02464	1.9
117.03349	0.4
119.01430	0.7
119.03514	0.7
121.02976	4.2
125.02476	4.9
126.02714	0.5
135.00851	0.8
135.04526	0.9
137.02444	1.7
139.04077	0.8
143.03543	0.6
145.02943	0.7
148.01675	1.0
149.02388	1.2
151.00386	19.4
152.00928	0.7
152.49925	0.4
159.04514	0.9
161.02481	0.6
161.04544	1.3
163.00406	4.1
163.04015	0.5
164.01138	0.7
165.01920	0.5
169.01411	1.4
173.04530	0.6
175.04083	0.5
177.01823	0.4
178.99879	9.7
179.03493	0.6
180.00258	0.5
183.04514	1.1
185.06082	0.5
187.04007	0.7
190.99951	0.5
191.05663	0.9
192.00690	0.7
197.67001	0.5
199.03992	0.9
201.05588	1.0
203.03418	0.5
211.03987	2.0
212.04741	0.4
213.01859	0.7
215.03529	0.6
216.04155	0.6
226.02682	1.1
227.03554	3.0
228.04231	1.1
229.05046	1.4
239.03516	0.7
243.02994	5.6
244.03564	0.5
245.04532	3.5
254.02243	1.5
255.02962	11.3
256.03439	1.7
266.02286	0.9
271.02457	24.7
272.02930	3.4
273.03964	1.9
274.04242	0.5
283.02420	2.7
284.03128	0.6
285.03952	0.9
295.02469	0.5
299.01990	1.0
300.02765	42.0
301.03525	100.0
302.03906	10.2
314.04291	0.6
315.05072	6.4
315.18097	0.5
316.05386	0.6
333.19098	2.5
375.19965	1.1
417.24921	0.9
445.07767	37.0
446.08093	4.4
477.10471	10.4
477.17041	0.6
477.23523	2.4
477.30716	3.5
478.10593	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	477.1038
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
52.09848	0.3
55.01520	0.3
57.03442	0.9
59.01373	1.4
61.98815	0.5
65.00327	2.4
69.33474	0.4
71.71319	0.4
71.71716	0.6
71.78484	0.4
83.01401	0.4
88.98817	0.9
89.53404	0.4
93.81778	0.3
99.04523	0.6
107.01418	0.8
109.02982	0.4
110.00134	0.7
111.00912	0.4
125.02443	1.6
133.03018	1.3
134.03761	0.8
136.98817	4.3
137.02367	0.4
149.99608	1.1
151.00392	2.3
161.02536	0.7
165.99088	0.7
168.00665	0.8
171.04539	1.1
173.04614	0.4
174.03152	0.5
175.03946	0.4
178.99831	0.5
189.02194	0.4
190.99852	0.6
199.04007	3.8
200.04688	1.3
201.01979	2.2
202.02667	1.2
203.03371	1.2
211.04045	0.6
215.03477	3.5
216.04201	1.8
217.05055	0.6
226.02661	1.1
227.03476	5.5
227.11647	0.5
228.04230	2.2
229.01357	1.0
230.02115	0.5
242.02202	8.1
243.02968	37.7
244.03404	3.7
255.03041	2.0
256.03754	1.2
257.04553	10.4
258.04871	1.1
270.01685	10.2
271.02463	38.1
272.02905	4.9
283.02579	0.8
285.04047	21.5
286.04681	8.3
287.02051	0.5
299.02008	10.2
300.02759	44.7
301.03113	4.7
314.04333	47.5
315.05081	100.0
316.05441	10.4
357.06134	0.7
409.52100	0.4
447.99716	0.4
477.10394	99.0
478.10715	15.2
478.17899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98833	1.7
62.96414	0.3
70.37161	0.5
78.95913	100.0
85.06596	0.2
96.96980	7.8
97.67175	0.2
99.42859	0.2
116.92856	0.2
140.01212	0.7
150.98059	0.2
152.99612	17.4
153.99904	0.4
161.56090	0.2
171.00667	19.7
172.01057	0.3
194.66589	0.2
196.03732	0.4
214.04825	0.5
279.23294	6.3
280.23642	0.6
300.99881	0.2
301.03574	0.2
402.24219	1.4
476.27829	64.1
477.28217	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01381	1.8
60.17686	0.4
61.98828	0.7
70.84826	0.8
71.01386	2.4
73.02974	0.8
77.18464	0.4
81.03472	1.2
83.01337	0.6
85.02968	1.9
88.98811	1.8
89.02455	0.7
93.03457	0.9
95.01385	1.2
95.05077	0.6
97.02960	0.6
99.00890	0.6
99.04536	1.5
101.02437	1.0
102.83245	0.4
108.02190	41.2
108.14623	0.4
109.02988	18.5
110.03340	0.8
113.02482	0.4
117.03472	0.5
121.02971	1.1
123.00900	0.6
123.04567	1.7
125.02453	2.7
128.49205	0.4
132.02168	1.0
133.02979	19.0
134.03307	0.7
135.04552	8.4
136.04857	0.4
137.02477	1.0
139.04065	0.7
151.04070	1.3
152.01178	58.9
153.01971	19.7
154.02257	0.8
161.02467	50.7
162.02805	2.8
163.04022	1.4
165.01938	1.7
167.03528	6.5
175.04073	0.5
177.05574	0.4
179.03497	4.4
181.05075	0.7
189.08832	0.4
197.04590	1.4
209.04549	0.5
215.69867	0.4
221.04565	0.7
257.00934	0.7
314.00748	0.7
315.07224	36.4
316.07663	3.5
323.07678	1.0
357.09836	2.8
357.92474	0.4
387.11066	1.1
427.28998	0.5
433.11404	3.9
477.10413	100.0
478.10678	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	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52979	0.3
57.03439	0.5
59.01379	1.5
60.99311	12.4
71.01387	0.9
71.70990	0.3
71.71402	0.6
73.01186	0.4
87.00898	2.4
88.00418	0.9
88.98820	100.0
89.02459	7.5
89.99157	1.2
93.03466	0.5
99.04528	0.5
101.02437	0.8
123.04581	0.3
135.04501	0.5
161.02502	0.5
161.04584	0.5
173.04575	0.5
179.05582	0.4
191.05586	1.1
326.17755	0.4
430.72949	0.3
500.30380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52134	0.5
55.01871	0.7
57.03452	100.0
58.00578	0.6
58.03785	2.0
58.83863	0.7
59.01384	72.8
60.01723	0.6
60.99317	1.0
61.98825	2.7
63.72002	0.6
70.52222	2.5
71.01393	20.5
73.02956	7.6
81.03468	1.9
83.01411	3.7
85.02962	10.6
86.86440	0.6
87.00882	1.4
88.98812	11.1
89.02464	4.3
93.03481	1.0
95.01422	1.9
98.99271	0.6
99.00909	3.0
99.04536	98.5
100.04895	3.4
101.02462	34.8
102.02761	0.8
113.02478	10.2
118.98103	1.2
119.03541	1.5
123.04572	0.8
125.02475	25.9
126.02794	0.8
129.01907	0.6
130.33200	0.6
133.02986	1.5
137.02432	0.8
139.04137	0.7
143.03526	4.2
152.01151	1.0
152.39854	0.7
153.02086	0.7
153.05495	0.8
159.03049	1.4
161.04575	11.7
173.04617	1.2
177.01949	0.8
179.05647	0.9
191.05724	1.1
205.17976	0.7
238.08762	1.3
268.04370	1.7
331.17627	19.6
332.18185	1.7
373.18643	6.8
374.18857	0.8
413.21786	2.9
475.21790	30.9
476.22406	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	476.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	24.6
58.03793	0.5
59.01382	22.4
60.01720	0.4
61.98833	100.0
63.16307	0.4
69.59907	0.7
69.60322	2.2
71.01389	3.3
73.02959	1.7
75.10558	0.3
81.03479	0.4
83.01399	1.0
85.02960	2.0
89.02470	0.6
93.03501	1.2
95.80293	0.3
99.00880	0.9
99.04535	28.8
100.04873	0.8
101.02457	8.6
101.03075	0.5
113.02444	2.2
115.92091	0.8
116.92915	1.0
125.02472	9.7
143.03535	1.3
149.71820	0.4
161.02525	0.4
161.04568	2.0
165.07745	0.3
191.05577	0.5
254.08372	1.1
269.10318	5.6
270.10742	0.7
311.11353	4.2
332.24991	0.3
351.14673	1.5
413.14539	12.9
414.15118	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98832	0.1
63.83282	0.1
70.85109	0.3
78.95913	5.9
85.54333	0.1
90.02441	0.1
114.39563	0.1
122.00130	0.2
140.00224	0.1
140.01210	2.2
152.99635	0.7
171.00603	0.3
196.03819	1.4
214.04851	2.9
219.07690	0.1
261.22192	0.5
263.90671	0.1
279.23285	100.0
280.23636	11.8
409.57669	0.1
476.27823	12.0
477.28183	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	476.2784
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01381	0.4
61.98836	0.3
62.96402	0.2
70.16988	0.3
70.17382	0.5
78.95913	23.9
83.05034	0.1
86.63654	0.2
96.96972	0.5
98.20113	0.4
116.05244	0.1
121.53168	0.1
122.00177	0.9
122.98542	0.2
134.98557	0.2
140.01216	5.7
148.04250	0.2
152.99599	2.3
161.94054	0.1
166.19115	0.1
171.00665	0.8
196.03824	10.9
197.04129	0.3
214.04887	2.7
238.08713	0.3
261.22156	0.5
279.23294	100.0
280.23645	11.6
332.51907	0.2
437.30087	0.2
476.27838	36.1
477.21350	0.3
477.28207	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	475.0884
Annotation	Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)
Peak:m/z	Relative Intensity
57.03461	0.4
59.01381	100.0
60.01730	0.6
61.98841	1.6
65.00333	0.5
67.01897	0.5
68.99844	0.6
69.03506	0.3
70.86758	0.8
70.87132	0.3
71.01389	1.2
75.00869	1.3
78.57725	0.3
82.43099	0.3
83.01397	0.5
84.82977	0.3
85.02951	0.3
88.98828	1.4
89.02465	0.4
91.01901	0.5
93.03474	0.7
95.01395	0.3
101.02449	0.8
107.01424	0.5
108.02199	0.5
109.02972	1.8
111.00928	0.3
113.02493	0.4
119.01423	0.7
121.02973	1.4
124.01679	0.5
125.06126	0.6
129.00804	0.3
135.00908	1.3
137.02457	0.4
139.04164	0.3
139.51163	0.3
147.00981	0.4
148.01665	1.5
149.02483	0.5
151.00406	0.6
152.01265	0.4
153.01979	0.4
159.04517	0.5
161.02554	0.4
161.04573	0.3
162.02002	0.7
162.28529	0.3
163.00362	2.3
164.01149	0.9
165.01955	0.9
173.04623	0.5
176.98309	0.6
178.99875	9.8
180.00197	0.4
182.03722	0.5
183.04529	1.2
187.04028	1.0
189.99124	1.0
190.99889	2.8
191.05679	0.3
192.00667	4.5
193.01132	0.5
195.04518	0.3
198.03180	1.4
199.04025	0.9
200.04697	0.4
201.05574	0.4
203.03578	0.7
206.99400	1.3
211.04024	4.3
212.04594	0.8
213.02017	0.6
213.05566	0.7
214.02757	0.5
215.03473	1.0
216.04233	0.4
225.05600	0.3
226.02708	3.3
227.03520	5.7
228.04182	1.2
229.01460	0.4
229.05081	1.5
230.02267	0.3
237.02039	0.6
239.03508	4.2
239.07104	0.3
240.04243	1.0
243.02985	1.6
244.03633	0.6
245.04591	0.7
253.05118	0.5
254.02202	1.2
254.08264	0.6
255.02983	11.6
255.06641	0.9
256.03549	2.5
256.07486	0.3
257.04514	1.1
258.01648	0.3
266.02289	0.6
268.07339	0.6
269.01001	0.5
271.02475	26.6
271.09793	1.6
272.02914	3.1
273.04065	0.6
281.00974	0.7
282.01724	2.4
282.07733	2.0
283.02481	18.5
284.02850	1.7
285.04010	0.6
297.10062	6.8
298.10556	0.8
299.02011	4.5
300.02737	3.0
301.03537	6.2
302.03900	0.7
311.01971	5.1
312.02399	0.4
312.12408	7.0
313.03635	0.5
313.12833	0.5
313.16580	0.5
327.99228	0.8
328.02240	52.4
329.03006	66.2
330.03406	6.0
331.17627	0.7
337.12109	0.7
373.18658	1.2
475.08850	48.4
475.14807	2.9
475.26855	1.3
476.09195	8.7
476.15204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29333	0.5
59.01366	0.6
70.03529	2.2
71.01390	13.3
72.99312	3.0
87.00867	0.9
89.02467	2.4
98.20501	0.7
115.00390	41.2
132.94652	1.1
133.01454	100.0
134.01782	2.6
173.04596	1.1
175.46001	0.6
191.05608	1.9
210.48871	0.8
341.10849	1.1
377.08527	1.3
393.33917	0.6
421.66003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48067	0.1
54.40995	0.1
55.41992	0.1
55.88322	0.1
56.43717	0.1
57.03452	1.4
59.01382	2.4
60.99312	0.2
61.98833	100.0
62.98547	0.3
62.99261	0.1
70.58113	0.4
71.01396	1.0
72.99312	0.1
73.02955	0.3
74.82050	0.1
83.01405	0.2
85.02977	0.4
87.00908	0.3
88.98825	1.2
88.99250	0.1
89.02458	1.0
93.03488	0.2
99.00912	0.3
99.04537	1.7
101.02469	0.9
108.02229	0.2
109.02976	0.2
113.02495	0.4
114.24823	0.1
116.92918	0.2
119.03559	0.2
123.05476	0.1
125.02448	0.5
134.02621	0.1
135.04494	0.1
137.02490	0.1
142.57567	0.1
143.03444	0.1
148.34163	0.1
149.04628	0.4
153.01958	0.2
155.29501	0.1
161.04651	0.2
173.04625	0.5
187.07689	0.2
191.05620	0.5
202.06378	0.3
231.10387	0.3
256.74356	0.1
272.09076	0.1
298.08292	0.1
316.07669	0.2
325.53595	0.1
331.17603	0.2
345.90585	0.1
353.06659	0.1
354.07098	0.1
373.18826	0.2
411.16614	1.7
412.17355	0.3
415.16193	0.4
474.11420	0.3
475.09604	0.1
475.22000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51749	0.1
59.01381	1.4
61.98818	0.5
62.96408	0.5
69.38896	1.1
69.39320	0.9
71.01383	0.3
78.95913	31.6
83.05040	0.3
86.12630	0.2
88.98824	0.2
93.47993	0.2
96.96979	0.7
113.06112	0.2
122.00181	1.2
122.98522	0.3
125.06107	0.2
127.07693	0.2
134.98418	0.3
140.01218	7.5
152.99612	3.5
164.20903	0.2
171.00639	1.0
196.03822	12.8
197.04155	0.4
214.04878	3.2
215.05359	0.2
233.22813	0.5
259.20633	0.6
275.20181	0.4
277.21735	100.0
278.22076	12.5
307.15320	0.2
347.04330	0.2
405.91406	0.2
474.26266	40.7
475.26630	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.7
61.51239	0.3
61.98812	0.3
69.03466	3.9
69.38402	1.0
69.38826	2.2
70.02970	0.3
71.01376	0.3
72.00923	0.2
72.99333	0.3
75.00885	3.2
78.95915	8.3
82.02988	0.9
82.34027	0.3
84.04600	0.3
89.02441	0.5
91.05575	0.3
94.03009	0.7
98.02512	0.4
108.86221	0.2
118.06599	0.5
122.00071	0.3
123.81309	0.3
126.02052	0.4
135.03026	6.5
138.01994	0.3
140.01221	3.4
141.34186	0.3
152.99644	1.0
153.12904	1.2
169.15990	0.6
171.00745	0.4
171.14078	0.3
175.96202	0.3
176.07201	0.8
178.16110	0.4
179.14432	1.1
181.16031	2.1
196.03822	1.3
196.17117	2.3
214.04884	4.0
220.17053	1.4
224.16600	2.3
236.16547	1.6
237.14969	1.0
248.16565	1.9
252.16060	20.3
253.16489	1.7
259.20609	0.4
260.09183	0.4
264.16034	0.3
265.51398	0.3
266.17679	0.6
273.59024	0.3
275.20309	0.4
277.21738	100.0
278.18976	0.3
278.22083	13.1
280.15558	15.3
281.15891	1.8
292.15646	0.6
312.23376	0.9
342.24677	0.3
356.22354	18.3
357.22678	3.1
370.23999	0.7
384.21844	9.9
385.22229	1.6
396.21777	2.7
397.22592	0.4
414.22836	1.0
474.26279	12.7
475.26566	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	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18048	0.6
57.03447	2.5
59.01384	50.5
61.98835	4.9
62.14284	0.9
68.98206	0.6
69.03452	2.5
70.50554	0.8
71.01381	1.9
71.05025	1.4
71.72220	0.6
78.95912	0.9
85.02950	1.0
85.06607	1.1
89.02452	0.7
93.03456	1.3
99.04552	5.3
101.02444	1.0
111.04484	0.9
113.02459	0.9
119.03574	0.6
121.02983	1.3
135.04517	0.8
161.04639	1.1
167.10741	0.7
173.04573	2.6
191.05675	3.0
245.18257	0.7
251.16533	100.0
252.16878	10.9
260.08722	0.6
286.28854	0.7
435.90356	0.6
473.25943	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07749	1.3
53.96710	1.3
56.07914	1.2
57.03448	3.0
59.01384	100.0
61.98840	7.0
71.01381	3.8
78.95908	2.4
81.03473	1.4
85.02969	2.4
89.02464	2.2
93.03474	2.1
96.59647	1.4
98.19826	2.3
99.04545	2.3
101.02456	3.0
111.08141	2.2
113.02447	4.1
119.03577	2.6
121.03003	2.4
125.02479	2.0
135.02989	1.3
135.04565	2.0
137.09734	4.2
142.57539	1.4
147.88686	1.3
161.04582	2.6
162.96928	1.1
167.10725	1.8
173.04477	1.6
191.05617	6.2
229.80099	1.3
232.90009	1.2
251.16536	82.6
252.16876	8.0
268.95593	1.3
309.20636	1.3
413.21442	1.6
473.26230	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	472.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.52648	0.4
86.62080	0.2
95.24883	0.2
98.70879	0.2
100.16816	0.2
102.90183	0.2
111.52623	0.2
201.30667	0.2
205.96866	0.2
236.50537	0.2
247.06374	1.6
275.05978	0.8
275.46646	0.2
303.05563	0.7
338.32797	0.2
405.77658	0.2
429.19528	0.5
457.19150	0.8
458.19720	0.2
472.21432	1.2
473.22144	0.2
473.28555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30556	0.8
57.03451	89.9
58.03786	1.6
59.01381	24.1
59.98513	0.9
61.98826	3.3
66.66766	0.7
70.78466	1.2
70.78798	1.6
71.01392	14.1
73.02954	17.5
76.17204	0.8
78.95907	1.5
79.05518	1.7
81.03455	3.9
83.01406	5.2
85.02984	2.0
89.02457	1.8
91.90582	0.8
93.03467	2.4
95.01401	1.3
95.05083	1.0
97.02939	1.6
97.06595	2.4
99.04535	59.5
100.04897	2.0
101.01792	1.3
101.02457	26.3
102.00201	0.7
109.06598	1.0
111.04675	0.7
113.02457	5.1
113.06102	2.8
119.03524	1.0
121.02968	1.2
122.03773	1.3
123.04542	13.4
124.04970	0.8
125.02468	36.0
126.02860	1.0
137.02487	1.2
141.05580	2.7
143.03568	4.5
144.03941	0.8
149.79118	0.8
149.98288	0.7
155.03519	1.4
161.04601	6.6
167.10800	100.0
168.11154	6.4
173.04593	2.7
179.05629	2.2
181.12312	4.1
191.05623	2.1
191.10793	2.7
203.05646	1.5
209.11870	4.7
242.51906	0.8
263.07739	2.9
283.61554	0.7
291.36295	0.8
305.08762	3.7
322.82062	1.0
323.09872	7.5
329.15863	1.5
333.50842	1.0
473.20276	2.9
473.26508	1.7
479.42307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13002	1.8
57.03450	4.2
59.01381	100.0
61.98835	12.5
69.03445	8.9
71.01382	10.4
71.70266	3.3
72.99326	3.9
73.02980	2.5
75.00877	25.2
78.95910	6.7
79.65086	1.7
81.03472	2.1
82.02991	3.2
83.05021	3.0
84.04561	2.9
85.02963	4.5
87.00877	3.7
89.02451	8.7
93.03477	5.0
96.00942	2.8
97.02955	2.4
99.00907	4.5
99.04523	2.6
100.00423	6.0
100.04078	2.9
101.02462	3.9
109.02959	3.6
110.02474	3.6
111.08192	2.9
112.04068	15.3
113.02482	5.3
116.07883	2.0
117.02000	1.6
119.03506	2.4
121.02934	2.6
121.47263	1.8
123.00892	5.5
125.02507	1.9
130.05206	1.7
135.03012	71.1
135.04526	3.3
136.03296	2.6
137.02460	3.1
137.09770	4.0
138.05630	75.9
139.02676	1.7
139.05984	4.7
144.03053	12.5
153.12912	4.5
165.04312	2.1
167.10786	2.3
171.13907	5.2
173.04541	7.0
179.14447	6.4
181.15990	7.2
191.03625	2.4
191.05623	6.3
197.15530	4.5
209.11870	4.0
209.15477	5.0
220.17073	7.7
236.20096	2.5
237.14983	2.2
248.16559	7.4
248.20427	2.3
251.16513	89.9
262.18057	2.6
264.16058	9.7
264.19382	1.5
266.17542	8.5
292.19180	89.9
293.19656	10.3
294.17175	4.3
298.20215	3.5
310.16812	3.0
310.20267	22.0
311.20395	2.5
320.18689	8.4
338.19760	3.9
352.17761	2.7
354.19214	21.0
410.21939	2.7
471.34659	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	472.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	24.3
70.69685	1.5
75.65152	0.5
86.05798	0.4
90.17681	0.4
150.39436	0.4
171.13925	5.0
205.15945	0.6
211.28882	0.5
218.06128	0.9
232.07755	0.6
245.08423	0.7
246.05571	2.4
247.06386	100.0
248.06793	12.4
259.06247	0.7
260.07184	6.0
261.07516	0.5
271.06360	0.6
273.04288	0.6
274.05127	8.1
274.08350	0.7
275.05872	58.4
276.06253	5.7
279.05389	2.5
286.05219	0.5
287.05734	0.4
288.06729	1.7
289.07382	1.8
290.08115	2.1
291.08289	0.5
302.04608	4.1
302.08258	6.4
303.05374	45.9
304.05750	6.7
316.06250	0.5
318.07736	8.8
319.08047	0.9
330.04034	1.3
330.07800	1.1
344.12924	0.8
345.56573	0.4
359.19199	0.8
387.18417	1.3
401.20026	9.7
402.20374	1.9
402.27176	0.4
415.21329	0.7
428.18683	1.2
429.19470	35.6
430.19876	6.7
440.18481	0.8
442.20093	0.5
444.21774	6.5
445.22174	1.4
456.18268	0.7
457.18961	60.7
458.19330	11.0
471.34741	0.7
472.21323	75.4
473.14737	0.9
473.21765	16.2
473.28348	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	472.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18277	0.7
53.26160	0.6
55.01880	1.2
57.03453	1.0
59.01369	2.6
61.98818	1.8
67.51405	0.8
69.03468	6.9
70.02992	0.9
71.01379	1.9
71.19209	1.5
71.19554	0.7
72.00897	1.0
72.99320	1.1
75.00875	9.3
82.02990	1.6
83.05022	1.4
84.04569	4.1
85.02960	4.1
87.00893	1.2
89.02473	1.3
94.03000	1.8
94.06641	0.8
96.00906	1.1
97.02926	1.0
98.02493	100.0
99.00871	2.0
99.02811	2.7
100.00470	0.8
100.04064	1.7
101.02481	0.9
102.05631	9.2
105.01942	1.5
106.06588	1.0
108.04552	0.9
112.04079	5.7
112.07734	1.4
122.06136	1.6
123.00916	1.8
124.04047	0.9
128.03548	7.6
135.03029	16.7
138.05630	26.9
139.05969	1.6
140.07173	3.0
144.03035	3.1
146.04616	50.2
147.04947	1.5
153.12877	2.9
154.14905	0.7
155.14285	0.8
166.05103	1.8
169.16031	1.2
171.13939	3.5
171.90651	0.8
173.04588	0.8
179.14417	4.9
181.16011	4.2
184.06168	52.9
185.06509	2.2
191.05612	1.2
192.17520	1.0
195.13844	3.4
195.17703	0.8
196.17078	0.9
197.15523	4.2
209.15422	2.2
210.18661	0.9
220.17078	2.5
224.16537	2.9
234.15053	1.6
236.16429	1.3
236.20186	2.5
237.14900	2.3
248.16472	3.2
248.20152	3.0
252.16092	10.0
253.16397	1.1
260.20322	1.1
262.18097	0.9
264.16037	5.3
264.19699	1.3
265.14441	2.4
266.17758	1.4
267.15793	1.3
274.18109	1.5
276.19650	2.6
279.15848	1.0
280.15640	1.2
288.19678	1.7
292.19199	38.0
293.19510	2.9
294.17072	1.5
298.20248	1.8
302.17624	0.8
310.16696	2.0
310.20251	8.8
320.18665	4.9
325.16580	3.1
338.19742	93.3
339.20093	11.9
350.19751	2.7
354.19247	11.6
355.19595	1.1
382.18729	17.0
383.19000	2.8
410.21982	3.8
472.21713	1.9
485.48297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2027
Annotation	Kushenol H
Peak:m/z	Relative Intensity
57.03454	5.9
59.01377	1.3
61.98829	2.3
65.60706	0.7
69.03460	1.0
71.70644	1.0
72.38632	0.8
78.95908	1.8
81.03457	2.8
83.01397	6.1
87.46300	0.9
93.03491	2.9
95.01394	0.9
95.05045	2.8
97.02958	2.5
97.06587	0.9
99.04537	1.4
105.03460	0.9
107.05061	0.8
108.02193	3.4
109.02973	12.8
116.92883	1.9
121.02976	3.2
122.03761	5.2
123.00879	1.0
123.04546	14.4
124.04930	1.2
125.02460	31.5
125.09731	6.9
126.02792	1.3
133.03087	1.0
135.04501	1.6
137.02455	10.6
139.04039	2.7
139.34148	0.8
145.02936	0.9
149.02480	2.3
150.03258	5.0
151.04057	13.2
159.04533	2.3
161.02422	1.4
161.06148	1.4
162.03275	1.8
163.04010	3.0
164.01187	3.8
165.01935	5.0
167.03529	7.2
173.04628	0.9
174.03326	1.0
175.04012	1.2
175.07489	0.9
178.02771	1.0
179.03542	4.9
187.04063	1.6
187.09804	2.9
188.04778	1.0
191.05539	1.8
201.05649	0.9
203.07169	1.2
204.04364	1.4
205.05107	1.6
213.05534	1.5
215.03441	0.9
221.08080	1.6
221.19124	2.5
229.05096	1.6
245.08189	2.3
247.17029	2.2
254.63692	0.9
259.17294	0.8
263.16513	17.4
264.16873	1.7
265.17969	1.1
277.18112	4.7
283.19113	1.3
287.16507	4.0
289.18030	1.2
291.15994	11.9
292.16431	1.1
303.16031	2.7
304.16580	1.3
305.17621	16.6
306.17856	1.4
315.16211	1.8
317.17545	1.8
327.15918	1.5
329.83789	0.9
331.15433	1.8
332.16309	1.1
333.17087	27.3
334.17480	2.9
341.17255	1.0
345.16879	3.9
357.20999	1.8
359.18826	1.0
375.21796	0.9
387.18130	2.6
398.90884	0.8
399.21945	2.2
409.20087	1.1
427.21121	7.7
428.21567	1.6
453.19165	2.2
471.20270	100.0
471.28610	9.5
471.34982	3.7
472.20490	16.5
472.29962	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41724	0.6
59.01383	3.6
60.53691	0.7
67.01901	1.7
69.33804	0.6
70.96484	1.3
70.96837	0.9
71.01387	3.9
73.02956	2.6
81.25844	0.7
85.02966	6.5
87.00893	1.9
88.36388	0.6
88.98819	2.7
89.02479	3.0
93.03482	11.2
96.96019	2.0
96.96968	1.2
98.95592	2.1
99.00936	0.8
99.04510	0.7
99.92612	7.0
100.83965	0.6
101.02465	1.7
108.02164	1.0
109.02982	1.9
111.00909	1.3
111.04543	2.7
113.02454	1.7
115.92117	8.1
116.63941	0.6
116.92880	11.6
117.01978	2.9
117.92953	1.1
119.03505	1.1
125.02513	0.9
127.04019	1.9
133.02968	1.6
134.03786	0.9
135.04553	29.6
136.01747	0.8
136.04865	3.1
137.02451	2.2
137.05099	1.4
152.01224	0.7
155.03537	2.2
159.88893	0.7
161.02409	3.0
161.04568	0.9
162.63408	0.8
173.04582	35.6
174.04942	2.0
179.03523	20.7
179.05267	1.1
180.03874	2.0
191.05640	100.0
192.06018	4.6
198.95424	0.7
217.96812	4.8
218.97552	3.6
219.94713	4.0
220.95506	5.9
221.95772	0.7
265.09387	1.1
329.01663	0.8
341.10898	4.2
349.00137	1.4
353.08823	38.1
354.09274	3.4
371.09607	1.1
373.10464	2.6
391.01294	11.9
392.01550	2.2
471.11597	2.4
471.34338	1.0
485.94275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1147
Annotation	Clofazimine
Peak:m/z	Relative Intensity
55.01874	0.3
57.03440	0.5
59.01376	1.0
61.98840	0.5
67.01887	0.5
69.03468	0.8
70.56456	1.5
71.01392	4.9
73.02969	1.8
81.03477	2.2
83.01397	3.2
83.05038	3.7
85.02952	3.3
88.98842	0.5
92.88533	0.4
93.03472	8.8
94.03813	0.6
94.07362	0.3
95.01391	2.4
96.96034	0.5
97.02967	0.6
99.00892	1.2
99.92616	0.5
101.02449	1.9
106.52370	0.4
108.02193	44.7
109.02980	35.2
110.03333	1.3
111.00889	2.2
111.04539	9.4
112.04863	0.4
113.02463	1.6
116.92884	8.0
117.92924	0.5
120.22708	0.4
121.02978	1.5
123.00937	1.7
123.04539	0.9
125.02452	0.5
127.04031	0.8
133.02948	0.7
135.00891	0.5
135.04553	0.6
137.02481	6.4
138.02844	0.5
151.04060	2.0
152.01184	55.4
153.01981	20.9
154.02321	1.1
155.03535	2.0
161.04597	0.5
163.04050	1.2
165.01994	1.7
173.04594	1.4
177.01945	0.4
191.05643	0.8
225.04112	0.4
236.56619	0.4
275.25360	0.4
297.06058	0.8
315.07211	15.2
316.07483	1.1
319.28409	0.4
353.08780	0.4
411.27234	0.4
435.09433	1.2
439.92554	0.3
453.10410	6.3
454.10742	0.9
465.69067	0.3
471.11459	100.0
472.11777	15.0
494.62878	0.4
498.15488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20625	0.2
57.03444	0.2
59.01374	0.4
61.98833	0.2
70.86292	0.2
70.86635	0.5
71.01385	0.5
85.02966	0.5
87.00901	0.3
93.03456	1.4
96.96053	0.2
97.97813	0.2
99.04527	0.2
99.92597	7.8
100.92621	0.6
109.02959	0.7
111.04504	0.4
113.02502	0.4
115.92114	1.3
116.92878	100.0
117.92887	6.8
133.03117	0.3
135.04570	2.0
136.63779	0.2
137.02444	0.2
151.07785	0.2
151.61815	0.2
153.01947	0.4
155.03503	0.4
160.03998	0.2
161.02495	0.5
173.04584	3.3
177.02022	0.2
179.03506	1.4
191.05643	2.8
216.96030	0.8
217.96530	0.2
220.95380	0.2
227.07187	0.5
235.92706	0.2
244.41060	0.2
244.95398	0.8
262.96490	0.5
299.05591	0.4
304.97449	0.3
353.08810	2.0
373.00195	0.5
391.01309	5.5
391.96786	0.2
392.01465	1.1
470.33752	0.4
471.14581	0.3
471.34930	0.9
472.14398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07985	1.1
53.20597	1.0
53.20899	1.0
57.03445	9.4
58.32917	1.3
59.01377	17.0
61.98838	11.8
64.10616	1.1
65.00314	1.4
69.88377	1.2
71.01390	6.5
73.02958	1.4
75.55379	1.3
78.95913	12.7
80.03057	1.2
83.01395	17.9
85.02978	2.4
89.02465	4.6
93.03477	4.3
95.01394	1.4
95.82639	1.3
96.96971	3.5
98.19846	3.5
99.00870	1.8
99.03948	1.3
99.04517	6.0
101.02448	5.7
101.92453	1.2
107.01411	2.0
108.02203	2.6
109.02970	3.0
113.02457	2.8
115.92087	2.4
116.92913	1.8
121.03007	1.9
123.08147	1.8
125.02469	6.2
130.08751	3.2
135.04469	2.2
137.02457	3.7
139.00342	1.2
151.00377	14.2
151.04100	1.6
152.01074	1.8
155.03513	2.0
161.02441	1.7
161.04552	1.2
162.97130	1.2
163.00493	1.9
166.08745	2.8
167.03508	1.3
173.04601	6.2
175.05270	1.3
178.99911	6.0
179.05630	2.5
187.07692	1.5
191.05563	6.5
195.06628	2.0
219.13974	1.7
227.03503	2.8
229.46382	1.7
231.06645	1.4
236.07484	1.2
243.02956	9.1
254.02356	2.1
255.02959	23.7
256.03287	3.4
263.12875	4.4
271.02463	49.9
272.02850	7.5
273.03085	5.2
283.02612	1.7
285.04004	3.5
300.02774	88.9
301.03485	53.2
302.03558	11.5
303.04413	4.5
347.39264	1.5
411.16580	1.9
427.09921	1.5
433.07755	100.0
434.08096	17.2
435.08496	17.1
436.08783	2.4
466.43201	1.5
470.33694	2.8
471.06503	1.8
471.15378	5.3
471.28247	4.6
471.34695	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82804	0.6
59.01373	3.0
60.99311	1.2
61.98826	2.2
67.01896	3.5
69.76795	0.5
69.77084	4.6
71.01386	3.5
72.18864	0.6
72.99333	0.8
73.11496	0.6
78.95924	0.7
79.95748	1.7
81.03479	0.9
84.17117	0.5
85.02960	4.2
87.00890	2.2
88.98817	2.4
93.03477	19.2
96.96027	100.0
99.92600	2.0
101.02448	1.2
109.02953	2.3
111.04537	4.4
111.17763	0.6
114.32909	0.6
114.93445	1.7
115.92082	4.5
116.92864	6.0
121.02995	1.1
122.38866	0.6
123.04538	1.8
127.04028	1.6
133.03001	2.0
135.04547	34.3
136.04865	2.0
137.02448	3.8
147.04520	1.0
153.05646	1.4
155.03532	2.5
157.60867	0.6
161.04568	1.0
164.07249	1.3
171.03035	1.0
173.04581	61.0
174.04863	3.7
177.01941	1.0
179.03535	5.5
191.05635	70.5
192.05988	2.9
197.04552	1.6
227.97224	0.8
231.20517	0.6
306.07507	0.7
341.08792	3.5
353.08731	6.7
354.09061	0.7
371.09860	66.9
372.10254	8.4
407.00333	0.6
448.69376	0.7
469.06314	1.2
469.33267	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	470.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37684	0.4
57.03452	18.6
59.01381	16.9
59.34147	0.3
61.98835	100.0
67.01924	0.5
69.53197	4.0
71.01389	2.7
73.02966	1.4
73.41553	0.4
83.01428	1.2
85.02969	1.2
87.00896	0.6
89.02457	0.6
93.03474	3.6
94.03876	0.6
99.00894	0.7
99.04536	19.9
100.04935	0.5
101.02465	8.0
109.02956	0.6
111.04573	0.5
113.00073	0.4
113.02491	1.2
117.03499	1.0
119.05039	2.8
120.99669	0.5
123.04553	0.5
125.02467	6.1
133.03024	1.1
135.04564	1.1
137.02502	0.6
141.65173	0.4
143.03555	1.2
145.02953	3.1
151.99420	0.5
161.04623	1.2
163.03999	2.1
173.04561	3.1
174.04903	1.1
175.05089	0.9
176.05478	0.5
177.02007	0.4
178.02740	0.7
189.01968	0.8
191.05681	2.0
192.06131	0.6
200.00958	1.0
217.01447	0.8
243.04852	1.3
257.02417	0.4
263.15015	5.6
263.17648	0.5
305.15979	2.2
307.08377	1.5
341.06784	1.0
345.19196	0.7
354.10361	0.5
374.06168	1.0
407.19269	11.0
408.19839	1.2
417.19604	0.4
435.11029	1.8
452.16040	2.5
469.33685	1.2
469.85291	0.5
470.17233	1.3
470.34079	0.9
471.13040	0.4
471.26468	0.6
471.35068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.3
55.49930	0.5
57.03450	1.0
59.01392	3.7
69.03458	12.3
69.38684	4.2
71.01390	3.2
71.05029	1.5
72.99306	2.5
74.16890	0.5
75.00881	27.3
80.02692	0.9
81.02225	0.7
81.03489	0.6
82.03009	0.7
83.05023	0.7
84.43614	0.5
87.00903	1.1
89.02449	4.0
93.03442	0.5
94.03017	0.5
96.00957	0.9
99.00911	1.2
99.04504	0.6
107.39104	0.4
108.04588	1.1
108.08252	1.1
109.01739	0.7
111.23575	0.5
112.01686	0.7
113.37196	0.5
116.92970	0.5
117.01974	1.4
123.03277	4.3
124.00452	1.2
124.07682	1.5
126.05631	1.9
126.09286	6.0
128.07188	1.2
135.03023	54.1
136.03383	1.7
136.07721	2.1
137.02472	1.8
138.05630	15.7
138.09331	0.7
142.05118	3.2
142.99902	1.1
150.01982	0.6
153.12888	3.6
154.08765	100.0
155.09111	4.7
165.07964	0.6
168.06738	0.7
169.16017	2.3
171.13986	0.6
178.05118	0.9
179.14432	3.0
181.07552	0.8
181.16016	11.0
182.08311	0.7
183.17616	0.8
189.25340	0.6
191.05583	0.5
191.14470	0.8
193.07480	2.3
193.16003	1.6
194.08235	7.8
195.08627	0.7
195.13922	1.4
195.17622	0.5
196.17091	1.1
197.15439	0.5
198.07878	0.6
208.18880	0.6
209.15517	2.2
213.06444	1.1
220.17056	1.1
235.15776	2.3
236.16490	0.6
237.14983	1.6
250.21758	0.7
252.23289	2.0
262.21759	2.6
264.16080	1.3
264.23364	4.0
267.15887	0.9
278.21268	2.3
279.15771	0.7
280.15652	1.3
280.22833	2.8
290.21191	6.0
291.21759	0.8
292.19183	0.7
292.22876	0.8
296.22348	2.1
304.22760	1.0
306.20685	4.9
308.22330	75.7
309.22705	9.9
332.55408	0.5
336.21771	8.7
337.22202	1.1
340.21304	2.1
348.21683	5.7
349.22388	0.7
350.19696	2.2
352.21307	66.4
353.21674	8.1
378.85956	0.5
380.20551	2.4
392.20477	0.7
408.23950	6.6
409.24503	1.0
452.22675	0.8
470.33646	0.6
471.35007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37428	0.5
57.55723	0.5
58.35137	0.4
59.01376	1.2
62.55693	0.5
67.01881	0.9
69.03479	0.5
70.56944	1.8
71.01394	1.1
79.95724	1.0
85.02944	4.4
87.00886	1.6
88.98795	0.6
93.03476	7.5
96.96026	48.1
99.92584	0.6
105.33062	0.5
109.02970	1.0
111.04539	2.5
115.92078	0.8
116.92890	1.1
123.04510	0.9
127.04047	0.9
135.04544	22.0
136.04869	1.3
137.02484	2.1
153.05582	1.6
155.03542	0.8
161.02481	3.0
173.04572	20.7
174.04933	1.2
179.03525	1.4
191.05624	100.0
192.05962	5.1
196.64467	0.6
197.04611	2.4
233.06647	0.5
233.16702	0.5
299.35425	0.5
305.01279	0.5
341.08817	0.9
353.08746	6.3
370.77472	0.5
371.09842	55.6
372.10135	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	469.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07846	0.8
57.03447	0.9
59.01373	3.7
61.98831	2.5
66.82187	0.9
67.01897	1.5
71.01387	1.0
71.08088	2.6
76.32368	0.9
83.01357	1.2
85.02976	2.0
87.00902	2.2
88.08960	0.8
93.03443	5.9
94.03838	1.5
101.02478	1.1
108.02197	2.7
109.02981	4.1
110.25087	0.9
111.04520	2.0
121.02985	2.2
125.02474	1.0
133.03000	1.3
134.03766	3.9
135.04346	1.7
136.01651	1.1
137.02457	1.4
151.00385	5.3
161.12346	0.9
163.00372	1.0
168.08640	0.9
173.04591	10.2
174.04910	4.2
175.05060	1.2
178.02888	1.0
178.99843	2.7
191.05606	6.3
192.06023	2.1
193.06038	1.7
205.05133	0.9
216.04190	1.0
219.47934	0.8
226.02667	1.1
227.03580	1.7
227.07176	2.2
232.10788	1.3
237.54187	1.0
243.02946	6.6
254.02188	1.7
255.02985	18.8
256.03287	2.6
269.32452	0.9
271.02478	39.7
271.05811	3.0
272.02820	5.1
274.33591	1.1
276.09622	1.1
293.10324	2.8
294.10703	3.0
295.10907	2.7
300.02768	97.7
301.03381	26.9
433.07745	100.0
434.08075	13.9
468.16245	1.9
469.16064	1.5
469.33081	1.1
470.11322	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80918	0.4
58.70678	0.4
59.01386	1.9
61.98835	100.0
69.45826	0.3
71.01407	1.3
71.69498	0.5
76.63583	0.3
78.95925	0.4
81.03587	0.4
83.01402	0.7
85.02972	0.5
88.98831	1.0
89.02467	1.1
93.03495	0.4
96.96025	1.3
100.60587	0.3
101.02462	0.8
104.48474	0.4
109.02990	0.6
111.00911	1.1
111.04588	0.4
114.93466	1.2
115.92059	0.5
116.92882	1.5
119.03580	0.3
125.02516	0.6
135.04517	0.8
146.08258	0.8
161.02480	0.5
163.04091	0.3
172.54857	0.4
173.04610	1.1
179.03580	0.7
191.05644	2.4
229.09840	0.4
249.59952	0.4
253.09964	0.3
310.30176	0.4
332.07092	0.6
353.08734	0.3
386.17020	0.4
402.93997	0.4
468.15369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01383	1.5
60.01718	0.3
61.01825	0.2
61.98835	100.0
70.47027	0.8
71.01405	0.4
78.95927	1.1
85.02974	0.7
87.00886	0.3
89.02457	0.4
93.03482	0.7
94.03841	0.3
101.02461	0.6
109.03013	0.2
111.04522	0.3
123.04574	0.3
135.04611	0.4
137.02477	0.4
138.53119	0.2
149.06129	0.2
165.01994	0.3
167.03618	0.3
167.10799	0.4
168.11169	0.2
173.04549	1.5
174.05022	0.4
175.04016	0.4
176.04849	0.4
177.05199	0.4
177.09262	0.7
178.09650	0.8
179.03728	0.3
180.04384	0.2
187.07748	0.6
188.08064	0.6
191.05618	2.7
192.06012	0.6
195.06630	0.4
203.06693	0.3
205.08817	0.7
206.09085	0.9
232.10431	0.6
249.11395	0.9
250.11694	1.4
294.10776	0.2
337.05600	0.4
362.43533	0.2
408.22311	0.6
458.44556	0.2
468.15918	2.0
469.17206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.2
59.01376	2.2
61.98832	11.1
65.03952	0.7
67.01916	1.0
69.03466	2.4
71.70611	0.6
78.95923	1.1
81.03483	4.1
83.01398	9.8
93.03455	4.1
95.05025	1.3
97.02974	2.8
99.00929	0.6
99.04536	2.6
101.67472	0.6
107.05052	1.1
108.02199	0.6
109.02966	9.5
116.92879	1.5
119.05052	0.8
123.04512	1.1
124.01722	0.7
125.02470	20.3
135.03026	0.8
137.02470	100.0
138.03345	7.3
139.04010	1.5
145.02951	0.9
146.03728	0.8
147.04532	3.0
151.04056	2.6
159.04587	0.8
160.05345	1.8
165.02014	1.0
166.02774	3.7
167.03519	10.1
173.04596	0.7
174.03334	1.0
187.03983	1.0
188.04807	4.4
191.05727	1.6
197.15378	0.5
201.05557	0.7
216.04314	3.2
224.04749	0.8
225.18655	1.4
238.06349	0.7
251.07068	0.7
252.19547	0.7
264.08313	0.8
273.18735	0.9
293.17587	1.4
294.11169	0.6
294.14331	0.8
301.18192	4.5
302.18259	0.6
324.17450	1.0
327.16083	1.8
329.17627	37.7
330.17935	4.1
337.18146	0.8
339.19537	1.2
341.17529	1.5
363.19797	1.0
365.17404	0.7
379.19049	1.2
381.20795	4.8
382.21436	0.7
383.18448	1.8
399.21695	0.8
405.21161	0.9
407.18478	1.0
423.21741	1.9
425.20114	0.7
431.18631	2.1
449.19684	6.8
450.19965	1.7
467.20792	76.7
468.21097	14.0
468.93033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81495	1.0
57.03446	2.1
59.01387	5.6
60.99310	1.1
62.15913	1.1
67.01888	6.1
69.03444	2.2
71.01391	7.4
71.42918	2.7
72.99308	3.9
78.91911	1.1
80.91690	2.1
81.03461	2.4
83.05030	2.8
85.02965	8.2
87.00903	6.2
92.41927	1.1
93.03472	35.9
97.06612	2.6
99.04540	1.4
109.02965	1.8
111.04540	11.0
121.02956	1.8
123.04501	1.4
125.02411	1.1
127.04031	3.2
129.02013	1.7
134.03772	1.8
135.04562	5.6
135.05478	1.1
137.02499	3.1
146.03754	7.5
147.04492	3.4
148.05362	1.2
149.06113	2.0
149.09729	1.4
150.03224	1.6
151.00400	1.1
151.03999	3.6
151.07730	1.4
155.03543	9.4
159.04549	2.5
160.05318	1.4
161.02463	2.7
171.02945	1.1
172.05304	2.7
173.04581	64.3
173.06030	3.8
174.03230	1.2
174.04874	2.1
174.06825	1.3
175.04008	2.4
175.07671	22.5
176.04817	17.9
177.05167	1.6
177.09230	42.0
178.09561	2.8
187.04024	2.3
187.07674	22.0
188.08081	3.4
190.06435	6.4
191.05630	100.0
192.05968	5.3
199.07510	1.3
201.05574	2.9
201.09216	4.2
202.06372	12.0
203.07021	2.0
203.10921	2.0
204.07692	1.6
205.08710	35.7
206.09085	3.4
213.09164	2.2
215.07109	2.3
219.10248	13.0
220.07394	1.5
220.10692	1.5
231.10269	25.0
247.47815	1.0
249.11317	86.7
250.11700	9.1
257.08194	2.6
263.09299	2.9
275.09238	18.5
287.04388	1.1
293.10352	19.6
294.10571	1.6
332.16077	2.0
437.14743	4.3
449.14621	6.1
467.15640	89.7
468.15869	13.4
468.21823	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	467.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.6
59.01378	3.6
60.99306	2.1
61.98838	2.2
64.30385	0.6
65.03972	0.9
67.01900	6.5
69.03471	1.9
71.01383	4.4
71.52399	0.9
72.27086	0.7
72.63338	0.6
72.99326	1.0
73.02965	0.9
81.03458	1.9
83.05051	2.3
85.02962	11.8
87.00890	11.5
88.20962	0.7
90.75970	0.7
93.03474	51.8
94.03827	2.0
97.06614	1.0
99.04555	0.8
108.02178	3.5
109.02969	8.5
111.00983	0.8
111.04538	9.5
113.02419	0.7
121.02991	1.3
125.02395	0.6
127.04070	1.8
129.01961	1.9
133.02980	9.2
134.03767	29.6
135.04573	13.0
136.01668	6.8
136.04872	0.7
137.02473	69.9
138.02817	2.6
139.04050	2.1
150.03310	1.4
151.04028	4.1
153.01987	1.6
154.02737	5.4
155.03529	6.5
160.01707	1.2
171.03017	7.7
172.03685	0.9
173.04579	100.0
174.04919	4.0
177.01959	10.8
178.02739	26.7
179.03508	9.8
186.91100	0.6
189.04115	4.1
191.05635	83.4
192.06052	3.3
196.03784	1.8
231.05107	2.5
231.10242	3.6
232.05861	4.9
233.06642	4.0
257.08234	2.0
264.04868	3.1
275.09268	10.0
276.09497	1.1
293.10315	17.1
293.13388	1.3
294.10672	1.9
340.08032	2.6
352.08115	2.3
369.08176	1.5
370.09055	15.3
371.09528	0.6
437.14426	0.8
449.14536	10.0
450.15045	2.3
467.15582	45.5
468.16013	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	466.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18402	0.2
61.98833	100.0
67.80151	0.2
71.70215	0.4
72.99326	0.3
75.00885	0.4
98.53243	0.2
111.74850	0.2
116.69727	0.2
135.03026	1.7
136.25513	0.2
181.16011	0.2
253.03453	0.2
265.14429	1.5
279.16159	0.3
293.13840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19091	0.3
59.01374	0.5
60.52572	0.3
61.98835	100.0
65.91154	0.4
69.58324	2.6
69.58736	0.6
71.01385	0.5
71.05031	0.5
72.99327	2.6
75.00878	3.3
84.43986	0.4
85.02957	0.5
89.02481	0.6
95.01416	0.4
97.02982	0.6
99.00916	0.5
111.00859	0.6
112.98825	1.2
124.01752	0.4
125.02509	1.1
130.99915	1.5
135.03018	15.4
142.99915	1.3
157.22153	0.4
158.46915	0.5
173.00935	2.3
179.14397	0.5
181.15993	5.6
193.15964	3.1
195.13953	1.4
197.15555	1.1
209.13814	0.4
209.15433	2.0
221.15518	1.8
225.14989	0.8
233.15411	0.4
235.13541	0.6
237.15002	5.6
238.15381	0.5
248.91342	0.4
249.15021	2.6
251.16631	1.5
265.14450	25.1
266.14774	3.2
267.16113	1.3
274.91135	0.4
279.16043	11.8
280.16461	1.2
281.17764	0.6
283.15323	0.5
285.17270	0.7
293.13940	9.4
294.14407	0.7
325.16589	1.9
327.18225	0.7
341.19653	0.9
348.28546	0.4
353.16260	0.7
371.17264	1.2
385.18936	0.8
417.76266	0.4
448.96173	0.5
494.63129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53851	2.1
59.01375	16.8
61.98830	67.9
70.86024	2.1
71.01389	26.6
71.70755	2.5
72.00906	8.3
74.02476	8.4
78.95898	2.1
85.02969	6.1
87.00891	2.2
88.04051	44.4
88.98827	4.6
89.02455	5.3
93.03466	5.6
96.96039	18.7
96.96967	2.5
99.04515	2.5
101.02451	6.2
104.21078	2.1
114.02047	2.7
115.00389	25.1
116.05073	27.0
119.03465	3.0
125.02468	3.5
130.06650	5.3
132.03059	22.9
132.04573	4.8
133.03011	3.4
135.04544	4.5
137.02528	2.9
142.06599	12.4
143.03487	2.3
144.04596	15.7
144.08173	7.0
146.06114	12.1
151.03964	2.7
158.06128	9.7
159.09251	5.2
160.07689	3.6
161.02409	2.4
163.04083	2.3
167.03455	2.6
167.10818	3.9
170.06151	4.1
172.04031	3.4
173.03127	2.4
173.04541	11.2
174.05685	4.4
176.04753	2.4
179.05591	3.5
184.04089	3.7
186.05623	6.3
187.07635	2.5
188.07170	14.4
189.06711	10.9
190.04927	3.0
191.05658	24.7
192.05908	2.4
203.08287	96.4
204.06754	4.8
204.08586	6.7
205.08592	2.6
214.05159	13.9
217.01178	2.5
231.07755	60.4
231.10016	4.2
232.06010	2.7
232.08105	4.3
240.99188	2.4
261.08835	13.0
286.99918	6.9
303.09882	14.2
305.07761	5.0
331.06866	2.5
351.11890	23.2
352.10355	14.0
377.09888	7.4
377.17346	2.1
406.21329	2.8
407.00800	2.5
409.10583	2.2
425.01498	2.7
467.04077	10.7
467.13046	100.0
468.06873	2.8
468.13132	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	466.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07291	0.1
54.66814	0.1
57.03451	0.3
59.01373	0.3
61.98835	100.0
62.98534	0.2
63.11997	0.2
66.82335	0.2
69.03490	0.2
71.01408	0.4
71.03748	0.3
71.04122	0.3
71.39434	0.1
72.99323	0.4
73.02968	0.4
75.00895	0.9
79.95761	0.3
81.03509	0.1
83.01412	0.2
85.02978	0.5
94.22485	0.1
94.92566	0.3
94.98118	0.9
99.00921	0.4
111.00938	0.5
112.98840	0.5
113.02444	0.1
125.02470	0.4
135.03032	2.9
169.15997	0.2
171.14046	0.2
173.00952	0.9
173.04604	0.2
174.01361	0.2
179.14455	0.3
181.16029	1.6
182.16402	0.2
191.05731	0.2
193.16031	0.8
195.13924	0.4
197.15460	0.8
209.15396	0.8
221.15469	0.3
225.15015	0.4
226.15340	0.2
227.16481	0.3
231.03180	0.2
237.14894	1.4
239.16579	0.1
249.14944	0.6
251.16592	0.5
253.14464	0.3
263.03168	0.2
265.14459	5.8
266.14838	0.6
267.15942	0.3
279.15994	1.8
281.17737	0.3
285.04099	0.5
285.17337	0.2
293.13959	4.5
294.14377	0.3
325.16754	0.7
327.17953	0.2
353.16187	0.4
371.17154	2.1
467.17279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67634	0.6
59.01377	0.6
61.98836	100.0
64.75488	0.7
69.03448	0.7
70.79606	0.6
70.79964	1.8
71.05038	1.1
72.99329	1.2
73.91020	0.6
75.00885	1.5
80.28846	0.5
85.02982	0.8
87.00907	1.0
112.98842	1.4
124.01725	0.8
135.03018	5.7
142.99931	0.8
152.01169	0.6
173.00964	1.3
181.16003	10.3
182.16415	0.6
193.16014	6.9
197.15578	1.3
209.15497	3.4
221.15569	1.7
237.14969	6.0
239.16588	0.8
265.14453	58.2
266.14798	7.9
267.16135	2.5
293.14020	5.1
311.14981	0.6
325.16537	1.3
356.10602	0.6
378.96701	0.6
412.69260	0.7
414.39706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84459	1.0
55.01876	1.0
57.03452	7.4
58.00591	1.9
59.01382	100.0
60.01711	2.0
61.98833	18.0
70.30599	3.3
71.01387	40.4
71.05028	1.2
72.01732	0.8
72.99313	2.9
73.02948	3.6
75.00893	1.0
77.93069	0.8
78.95904	1.9
81.03464	7.0
83.01395	3.5
83.05042	1.2
85.02966	14.2
87.00879	5.2
88.98829	1.4
89.02457	49.6
90.02818	1.0
93.03478	5.6
95.01398	2.3
96.96034	8.9
96.96980	3.2
97.02968	1.5
98.20557	1.1
99.00856	1.4
99.04533	15.1
101.02460	22.5
109.02975	3.3
111.00925	1.1
111.04527	2.0
112.05336	1.1
113.02464	17.2
113.06081	1.2
116.92870	1.7
119.03514	20.2
119.04956	1.1
120.03815	1.0
121.02995	1.0
122.03791	1.3
123.04552	2.6
125.02479	17.9
125.09723	2.6
126.90469	0.8
127.04021	1.8
129.55440	1.0
131.03520	1.7
134.07413	1.0
135.04526	5.2
137.02499	4.4
137.09738	1.3
139.07700	0.9
143.03519	3.9
143.05067	0.9
146.03748	1.2
147.04553	1.3
149.02437	3.4
149.04539	2.3
149.09738	18.8
150.03188	1.2
150.10138	1.2
151.00377	3.7
151.04025	3.7
152.03514	1.6
152.08528	1.0
153.01956	2.6
155.03493	1.1
159.04411	1.5
160.04083	0.9
161.02452	3.3
161.04573	8.0
161.05928	1.3
166.02814	0.9
166.74289	0.7
167.03496	3.1
167.10793	31.1
168.11115	2.5
171.10240	0.9
172.05272	3.2
173.04594	13.0
173.06075	2.3
174.03226	4.5
174.04703	1.3
175.04005	7.5
175.07762	1.0
176.01259	0.9
176.04703	1.1
177.01888	2.5
178.99855	2.5
179.03539	2.5
179.05629	18.4
180.06068	1.3
187.04045	2.3
188.04668	1.4
189.05568	4.8
191.05632	57.5
192.06046	6.1
199.04001	3.1
199.07660	1.0
200.04662	1.1
201.01733	1.7
201.09277	1.1
203.07086	2.6
207.13884	3.1
209.85394	0.9
211.07564	1.3
215.03278	1.1
225.14980	7.2
229.08733	9.0
230.08934	0.9
233.04694	1.1
241.05086	2.0
243.02942	2.9
243.16003	3.7
244.03287	1.0
245.08202	1.4
247.09773	6.4
259.06070	1.8
272.83170	0.8
273.07693	23.2
274.08041	2.1
275.05609	2.2
285.04050	9.6
286.04391	1.9
289.07193	5.1
290.07428	2.1
291.08691	3.1
303.05203	7.7
305.16116	1.7
345.06409	1.7
353.08838	1.9
375.07071	2.8
387.20181	1.2
405.21320	77.2
406.21603	10.8
465.14517	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	465.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.0
60.99309	15.0
61.98824	0.4
69.65011	1.9
69.65420	0.7
71.01386	1.2
72.44547	0.4
72.99313	0.5
85.02956	1.1
87.00863	0.6
88.98817	100.0
89.02457	3.5
89.99165	1.3
93.03461	1.2
96.96051	0.6
101.02474	0.4
113.02488	0.4
118.70257	0.4
119.05090	0.7
125.02466	1.8
134.03770	1.4
135.04543	3.6
137.02496	0.8
139.04007	0.4
147.04553	0.7
149.02400	0.6
151.03990	0.4
153.01962	0.9
161.02478	0.9
161.04483	0.5
163.03984	0.6
164.07188	2.0
165.01955	0.8
165.05527	0.7
165.07489	0.4
167.03514	0.9
173.04568	1.9
173.14699	0.4
177.01936	0.7
179.03493	3.9
180.04201	0.8
189.01772	0.6
191.05653	8.9
192.05963	0.6
194.05745	0.5
195.06705	1.9
201.01797	2.2
225.07623	0.8
285.04059	1.0
291.08780	0.5
303.05246	0.5
329.08936	0.4
353.08856	2.5
357.11896	0.6
365.28772	0.4
375.06970	6.9
376.07266	0.5
393.06937	0.8
454.27695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51689	0.5
57.03452	5.1
58.00603	1.3
59.01381	100.0
60.01719	0.7
61.98826	2.3
65.54415	0.5
71.01389	21.4
71.51849	0.8
72.99310	1.2
73.02953	1.0
83.01414	0.6
83.13589	0.4
85.02963	3.7
87.00900	1.9
89.02455	34.4
90.02794	0.7
93.03437	0.5
95.01396	1.8
96.96027	0.7
101.02458	11.9
101.03088	0.9
112.05332	1.1
113.02461	11.4
119.03524	13.0
125.02476	0.8
131.03558	2.3
134.07420	1.2
135.04541	1.2
137.09747	0.8
143.03526	4.4
144.03822	0.5
149.04620	1.4
149.08528	0.8
149.09738	18.9
150.10092	1.3
161.04588	4.8
167.10799	36.1
168.11136	2.3
173.04584	1.0
179.05638	16.0
180.05971	0.6
191.05658	3.6
201.01778	0.6
207.13976	1.0
225.14981	7.3
226.15437	0.7
239.49460	0.5
243.15987	0.8
262.62634	0.5
267.57648	0.6
285.04221	0.6
291.08862	0.6
303.13599	0.5
327.68991	0.5
342.97269	0.5
375.06982	1.4
405.21323	20.1
406.21616	3.1
411.84006	0.6
428.91089	0.4
465.23892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1042
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03456	1.2
59.01377	4.0
59.88081	0.3
61.98844	0.5
63.02396	1.2
65.00327	15.2
69.72238	2.6
71.01382	2.3
83.01385	6.4
85.02988	0.9
87.00880	0.5
89.02443	2.5
93.03498	0.5
95.01392	0.3
101.02480	1.5
107.01404	20.5
108.01707	0.7
109.02983	1.2
113.02465	0.9
123.04555	5.5
124.01726	1.1
125.02465	11.6
133.02959	3.8
135.04544	3.1
137.02492	0.4
149.02484	1.7
150.03249	15.8
151.00394	100.0
151.04010	10.3
152.00854	5.6
152.04318	0.4
153.01897	0.4
159.04515	0.4
160.04088	1.4
161.02451	0.4
161.06030	0.5
169.01465	2.8
171.04553	0.6
173.04561	1.1
174.03226	0.8
175.04022	2.4
176.01169	1.5
177.01891	1.0
178.99876	4.0
179.05612	0.7
185.06079	1.0
188.04895	0.4
189.05539	0.5
191.05655	3.4
193.05037	0.4
198.03165	0.5
199.03990	2.3
201.01990	0.4
201.05669	0.3
211.04037	0.7
213.05626	0.7
215.03516	0.7
217.05112	1.3
229.04951	0.9
241.05058	1.6
257.04526	1.6
258.05273	0.7
267.02884	0.8
273.07645	0.6
282.89343	0.4
285.04050	63.0
286.04373	6.6
302.04300	0.6
303.05072	1.0
313.09473	1.7
339.07211	3.1
348.46356	0.4
447.09412	0.8
465.10309	26.7
466.10495	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	464.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45169	0.7
57.03451	12.3
61.98822	2.1
66.03497	6.2
67.01877	1.1
71.12527	1.0
71.12852	1.2
84.04604	0.6
94.03001	6.9
94.06638	3.4
119.05039	3.5
120.04573	1.4
141.12888	1.0
153.12912	3.3
169.16011	27.2
170.16435	1.4
171.13902	2.6
179.14523	0.7
195.17525	6.9
196.17093	3.3
197.15463	2.5
200.55153	0.9
205.16005	7.8
207.17506	1.8
219.17574	1.4
220.17085	19.4
221.15518	1.1
221.17297	1.7
221.19191	3.9
222.18829	1.3
232.17035	4.0
236.20056	0.8
238.18112	0.8
247.17041	3.5
248.20195	7.8
253.29771	0.7
262.16730	0.7
274.18106	4.8
275.18851	1.1
281.28537	1.8
307.30081	10.4
308.30466	1.6
331.30075	1.1
349.31049	2.4
358.31152	3.0
359.29446	8.2
360.30142	2.2
361.31119	2.1
372.32925	0.9
375.32721	1.3
376.32462	5.3
377.30832	3.0
386.31201	0.7
386.72495	0.7
390.33673	1.5
402.33789	100.0
403.34146	18.9
420.34857	8.4
421.35370	1.3
464.33096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.2
59.01382	16.8
60.01710	0.2
60.11946	0.2
61.54030	0.1
61.98834	100.0
62.70398	0.1
62.98547	0.2
67.21008	0.2
71.01394	1.7
71.20119	0.3
71.20458	0.2
73.02943	0.3
78.95925	1.3
83.01414	0.2
85.02961	0.7
89.02451	0.3
93.03489	0.4
93.29966	0.1
99.00919	0.5
101.02456	0.8
106.94606	0.1
111.22565	0.1
113.02463	0.6
119.91011	0.1
133.60727	0.2
137.02473	0.2
151.00426	0.3
152.00772	0.2
152.99655	0.2
161.04617	0.7
173.04608	0.4
176.55232	0.1
178.02713	0.2
178.99904	0.3
191.05630	1.1
209.11995	0.2
220.70770	0.2
243.02898	0.3
244.03406	0.2
255.02870	0.4
256.03296	0.7
271.02600	1.0
272.02780	1.9
273.03156	0.2
294.03662	0.2
300.02786	1.2
301.03152	3.4
302.03824	1.4
315.18100	1.9
357.19394	0.4
377.31525	0.2
412.33197	0.2
414.14023	0.2
464.09143	3.8
465.09634	0.5
470.53790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.3
60.01750	0.6
61.98834	100.0
63.99268	0.5
68.72171	0.4
71.01395	2.4
71.71642	0.5
75.77479	0.4
78.39836	0.5
78.95917	4.5
79.82981	0.4
85.02972	1.1
89.02457	0.7
93.03467	2.7
101.02475	1.7
109.02990	0.8
111.04570	0.6
113.02455	1.2
118.94987	0.5
119.03535	0.6
133.03009	0.5
135.04642	0.6
137.02480	1.3
151.00478	0.9
152.00667	0.5
152.99631	1.5
156.55980	0.5
173.04532	2.7
177.18423	0.6
178.99889	0.7
179.03539	0.5
191.05624	2.8
192.05956	0.6
217.01381	0.8
244.03464	1.0
255.02974	1.6
256.03464	2.0
271.02539	3.2
272.02841	5.9
272.05560	0.6
273.03207	0.7
296.92554	0.5
300.02728	4.0
301.03168	10.3
302.03857	4.8
302.56976	0.5
315.18332	1.5
317.65067	0.5
335.07214	0.7
357.19272	1.8
464.09143	11.7
465.09653	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61938	0.2
57.03447	1.2
59.01382	100.0
60.01718	1.0
61.98827	1.5
70.41072	0.5
70.41468	0.7
71.01391	6.6
71.01762	0.5
72.99331	0.4
73.02972	1.0
75.00891	0.4
78.95905	0.3
80.35386	0.3
81.03464	0.4
83.01398	0.8
83.05031	6.8
84.05321	0.3
85.02967	2.9
87.00896	0.9
89.02457	8.7
93.03478	1.4
95.01419	0.4
95.05019	0.3
99.00920	0.3
99.04556	0.3
101.02451	4.1
109.02985	1.3
113.02452	3.7
113.06122	0.4
116.92903	0.3
119.03514	3.5
119.04310	0.3
121.02979	0.5
123.04562	0.8
123.08205	1.2
125.02486	2.0
131.03557	0.4
135.04536	0.5
137.02484	0.6
139.04097	0.3
139.07651	0.4
140.07190	0.4
143.03555	1.1
149.04646	0.4
149.09705	0.3
151.00436	1.2
151.04073	1.1
151.07683	0.6
153.09206	0.6
159.03098	0.5
161.04565	3.9
161.65926	0.3
165.09227	0.4
167.03542	0.4
167.10802	3.2
168.11099	0.3
169.08778	0.4
173.04579	2.5
173.05925	0.4
174.03229	0.4
175.04071	0.5
177.01965	0.3
179.05626	5.9
187.03995	0.5
187.11292	0.6
191.05637	8.6
191.07318	0.6
192.05977	0.4
205.12349	2.0
211.04042	0.3
215.07243	0.3
221.11932	0.3
223.13438	1.8
227.03534	0.6
241.14529	1.6
243.03125	0.8
245.08205	0.5
255.03047	0.4
257.04559	0.6
271.02521	1.1
283.02539	0.6
289.07336	1.5
299.02106	0.4
300.02652	2.5
301.03549	3.5
329.16104	0.4
381.55429	0.7
385.18839	0.4
386.19485	0.3
403.19769	5.4
404.20377	0.9
463.08475	2.9
463.21786	3.1
463.26773	0.3
464.08969	0.3
464.22318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72204	0.2
57.03447	0.6
59.01382	16.5
61.98833	100.0
63.80933	0.2
64.56982	0.3
69.71519	0.3
70.28496	0.9
71.01374	1.5
73.02970	1.0
78.95918	3.4
79.26927	0.3
81.03516	0.2
85.02953	1.3
88.98830	0.4
89.02473	0.6
93.03486	1.1
101.02474	1.4
109.02979	0.4
113.02480	0.9
119.05065	0.4
123.04561	1.2
125.02517	0.4
137.02530	0.5
152.99681	0.4
153.09264	0.3
161.04613	0.8
163.04022	0.4
173.04602	1.3
178.99959	0.3
191.05618	3.0
192.06117	0.4
244.03320	0.4
255.02769	0.6
256.03394	1.1
271.02469	2.0
272.02853	2.6
300.02783	2.4
301.03098	5.8
302.03641	2.4
315.18222	2.1
349.15646	0.3
357.19357	0.5
363.39893	0.3
464.09033	5.2
465.09573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71315	0.4
55.58496	0.4
58.41573	0.4
59.01399	0.9
61.98837	100.0
63.54695	0.5
65.73546	0.4
69.03461	0.4
69.66777	3.3
79.77172	0.4
98.20075	1.3
98.20648	0.5
111.00978	0.4
111.04592	0.7
112.68253	0.4
112.98853	1.1
151.00420	1.4
173.00980	0.6
178.99895	0.7
199.39124	0.5
209.19199	0.7
227.03616	0.6
235.80894	0.4
237.18837	0.4
243.03006	0.9
249.18661	0.6
255.03023	2.9
262.22659	0.6
264.03101	0.8
265.18085	0.9
271.02451	6.5
277.17990	0.6
289.23676	0.5
293.17551	1.2
300.02798	9.1
300.06036	0.7
301.03592	4.3
321.17102	11.6
322.17661	1.5
353.19760	1.1
381.19772	0.5
462.07715	0.5
462.30203	0.5
463.08853	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	463.0881
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.21738	0.2
60.87643	0.2
63.02405	0.6
65.00330	1.1
65.91129	0.3
71.41267	0.4
71.41609	0.3
82.49672	0.3
83.01405	0.8
91.01909	0.4
102.34457	0.3
106.38519	0.3
107.01411	2.3
108.02193	1.2
109.02983	1.6
121.02987	2.0
127.93861	0.2
135.00934	0.8
148.01700	1.6
151.00400	10.2
152.00903	0.4
159.04591	0.4
163.00385	2.3
164.01184	0.8
169.01430	0.8
171.62886	0.4
174.03363	0.3
178.99892	5.2
180.00279	0.4
183.04521	0.5
191.03510	0.3
192.00601	0.5
193.01418	0.4
198.03188	0.4
199.03979	0.5
201.02022	0.5
203.03590	0.3
211.04056	1.3
213.27429	0.3
215.03587	0.6
216.04289	0.7
226.02708	1.9
227.03452	3.3
228.03992	0.5
229.04996	0.6
239.03450	0.6
242.01888	0.4
243.02991	9.9
244.03333	1.5
245.04463	1.4
254.02222	2.5
255.02974	25.2
256.03378	2.8
271.02466	57.5
272.02856	6.6
273.04007	1.1
283.02533	1.0
299.01920	1.1
300.02762	100.0
301.03461	43.8
302.03882	4.5
327.04779	0.3
343.04312	0.5
463.08801	74.1
464.09137	11.7
464.14526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12902	0.7
54.70934	0.7
57.03456	2.0
58.00598	1.6
59.01381	100.0
60.01720	0.9
61.98822	1.3
69.03489	1.0
71.01388	46.0
72.99316	1.7
73.02957	5.0
75.00881	0.8
81.03481	1.3
83.01402	2.5
84.02180	5.0
85.02962	11.8
87.00892	2.7
88.98840	1.7
89.02455	25.3
89.02996	1.4
93.03490	2.8
95.01407	1.0
97.02974	1.0
98.46090	0.7
99.00909	2.0
99.04539	3.2
101.02464	19.1
102.02733	0.8
102.98616	1.9
109.02982	3.1
111.04569	1.7
113.02457	14.8
115.00380	0.9
116.92905	0.8
119.03520	9.4
119.05058	0.9
121.06621	1.3
123.04581	2.2
125.02455	6.0
131.03548	2.1
133.03015	1.1
137.02505	1.7
137.09723	1.0
138.05663	3.5
139.06010	1.7
139.07678	2.3
143.03506	5.6
147.04659	0.8
147.11833	1.4
149.04745	1.1
149.09694	1.3
151.04068	2.0
159.03055	2.2
161.02565	1.3
161.04588	24.4
161.09781	0.8
163.04016	1.3
165.09352	0.7
171.08107	1.7
173.04590	3.2
173.06029	1.3
175.02618	0.7
175.04071	2.6
177.02028	0.9
177.12859	5.0
179.05655	8.9
179.10811	4.3
181.69670	0.8
187.11343	1.7
188.08502	2.3
191.05646	13.3
191.10847	0.8
195.13936	0.9
205.12350	29.3
206.12724	2.7
223.13402	47.9
224.13734	5.3
241.14461	44.7
242.14778	3.8
245.08244	1.4
257.04636	0.9
259.06152	1.2
269.04633	0.8
270.05304	1.0
271.02655	1.3
283.04990	1.5
285.04166	0.9
289.07233	5.2
300.02621	1.6
301.03442	1.7
355.08566	0.9
385.18762	4.0
403.19766	17.4
403.25043	1.1
404.20258	1.6
463.08694	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47905	1.4
55.01886	3.2
55.57321	1.4
57.03446	7.0
58.00584	3.8
59.01382	100.0
61.13995	1.4
68.99783	1.4
71.01389	91.5
71.70940	2.4
72.99310	5.8
73.02954	19.9
75.00878	3.0
78.10062	1.4
78.95895	2.1
83.01385	6.4
85.02961	47.0
87.00877	7.7
87.04525	4.5
88.98844	2.1
89.02453	62.2
93.03476	23.1
95.01395	8.4
95.05032	2.3
95.86990	1.5
97.02972	5.5
99.00897	8.2
101.02457	57.5
102.02821	2.3
108.02180	2.1
109.02993	7.4
111.00863	2.2
111.04540	6.2
113.02466	52.8
113.06129	3.5
114.02778	1.9
115.00404	3.1
119.03519	26.3
119.05038	6.8
121.03046	1.7
122.03794	1.9
123.04531	6.6
123.08169	3.7
125.02468	6.9
125.06070	4.3
131.03539	4.0
135.04530	2.4
136.01685	1.7
136.05231	2.1
137.01434	2.6
137.02473	53.1
137.03510	3.3
137.58165	1.5
138.02820	3.5
138.05820	1.8
138.06897	16.8
139.04033	2.7
139.07654	6.0
143.03517	10.3
151.00400	1.9
151.07671	21.0
152.04767	1.7
152.08447	9.4
153.01929	5.3
153.09242	93.2
154.09583	5.4
159.02977	4.8
161.04572	39.3
161.05879	3.3
161.09769	3.7
162.04903	2.1
165.09250	20.6
167.03506	7.0
167.07242	1.9
173.04582	4.4
175.02559	2.1
179.03413	2.3
179.04202	2.1
179.05626	17.8
179.10809	6.3
191.05678	9.5
203.10793	5.5
206.09465	12.1
211.04315	1.9
221.11836	69.8
222.12149	6.4
235.09822	2.1
239.12903	74.0
240.13252	7.9
249.09770	3.7
251.12784	2.4
271.02603	2.5
299.01892	3.9
299.11392	12.6
300.02850	1.9
343.04453	1.7
381.05408	6.3
382.11304	1.7
401.18225	32.0
402.18463	5.1
417.12057	2.5
461.16965	24.7
461.25027	12.9
462.07932	5.9
462.16876	4.5
462.25534	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	462.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94387	0.2
54.23586	0.2
59.01387	0.2
61.98834	100.0
62.98535	0.4
65.79606	0.2
67.18009	0.2
69.03457	0.4
71.01406	0.2
71.59205	0.4
72.58393	0.2
78.45265	0.2
83.01395	0.3
83.61522	0.2
85.02999	0.2
99.00869	0.3
108.02104	0.2
111.00909	0.3
112.98830	0.6
134.74826	0.2
135.03000	0.5
142.99965	0.2
151.00470	0.4
152.01198	0.2
152.32698	0.2
155.20345	0.2
167.06242	0.4
173.00978	0.7
183.40997	0.2
186.98575	0.2
209.19202	0.9
225.18590	0.3
237.18723	0.4
243.02991	0.3
249.18666	0.4
255.03101	0.9
263.16690	0.3
265.18048	1.0
271.02515	1.8
277.18307	0.3
281.08344	0.2
293.17487	1.3
300.02716	2.9
301.03531	1.3
303.72116	0.2
321.17084	10.4
322.17407	1.6
353.19894	1.0
375.45013	0.2
381.19186	0.5
399.20432	0.5
444.18295	0.3
456.06168	0.2
462.25745	0.4
463.08893	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	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50998	0.7
56.96483	0.7
59.01383	2.3
60.99025	1.4
60.99311	16.4
61.98835	25.1
67.01888	1.1
69.03455	1.8
70.85920	2.2
71.01393	1.9
73.95170	0.7
75.00887	1.0
75.50040	0.7
83.01381	1.7
88.98819	100.0
99.00903	1.3
103.69523	0.7
111.00886	2.2
111.04559	2.3
112.98837	1.6
124.01706	0.9
127.91579	0.8
135.03015	1.4
139.04071	0.7
142.99910	1.3
163.41066	0.7
173.00957	4.1
179.14418	1.0
181.16028	5.1
193.16071	1.5
197.15375	1.8
209.15535	1.9
221.15550	2.2
235.09796	1.7
235.13397	2.0
235.17140	0.8
237.14999	6.5
241.01463	4.1
242.02060	1.3
245.00923	1.1
247.17123	1.1
249.14938	1.9
253.14381	1.0
260.71262	0.7
265.14429	8.4
266.14972	0.8
270.01718	3.5
271.02505	4.1
272.02670	0.8
278.52917	0.8
279.16122	1.4
293.13971	59.4
294.14279	5.9
298.01300	1.3
299.02023	3.5
324.55518	0.9
325.16550	3.1
331.20227	1.2
353.16071	2.5
371.17249	3.3
417.24203	1.8
418.24731	0.8
460.27890	1.2
461.07281	6.8
461.24750	6.8
462.07700	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99903	0.7
57.03459	1.0
59.01383	3.0
60.99313	14.3
61.98830	7.0
69.03487	0.9
70.57148	1.8
70.57545	1.7
73.80370	0.8
76.42134	0.9
78.19901	0.8
78.95926	1.6
83.01386	1.1
84.59737	0.9
87.13770	0.8
88.98823	100.0
98.19920	0.9
99.00880	1.0
111.00904	2.2
111.04533	2.4
112.98836	1.4
125.02438	1.0
135.03001	2.0
142.99930	1.0
150.21165	0.9
173.00964	3.5
181.16008	3.7
192.53529	1.0
197.15443	1.6
199.42072	1.0
205.16122	1.0
209.15483	1.5
214.02821	1.6
221.15555	0.9
235.09785	1.4
235.13388	1.6
237.14879	4.2
241.01419	4.9
242.02081	1.2
245.00929	2.8
249.15030	1.0
265.14468	5.8
266.14743	1.5
270.01755	4.9
271.02451	5.6
271.24841	1.0
293.13959	45.2
294.14288	6.1
298.01276	1.1
299.01929	4.8
308.18878	4.7
311.02008	1.0
325.16541	3.5
353.16101	2.9
371.17224	2.0
424.61719	1.2
460.27914	1.1
461.07178	8.6
461.24698	5.4
462.07401	1.2
462.25867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.5
60.24814	0.7
61.98818	2.5
71.01389	10.9
71.70890	0.7
71.71268	1.2
72.99319	1.0
73.02940	4.1
75.00872	1.1
78.95908	1.9
79.05537	5.2
81.03469	4.2
83.01393	1.4
85.02953	4.7
85.06669	0.8
87.00875	1.6
88.98798	2.0
89.02464	4.5
93.03472	9.0
95.01400	1.0
96.96033	1.6
96.96972	2.5
99.00903	6.8
101.02468	7.1
105.03484	2.1
106.33804	0.8
109.02953	1.3
111.04536	2.3
113.02461	5.5
113.06107	1.1
114.10600	0.9
119.03485	1.7
119.05034	1.3
122.03738	1.3
123.04544	100.0
124.04879	4.4
125.02443	2.1
125.06150	0.9
135.04547	2.3
137.02460	26.2
137.06081	0.9
138.02783	1.2
138.05598	4.8
139.03998	1.2
143.03535	1.6
149.02458	9.9
149.39218	0.7
150.47858	0.7
153.03065	0.9
161.04579	3.3
165.05597	1.2
166.02704	1.8
167.03529	6.9
173.04578	2.3
179.05635	1.5
179.29356	0.9
191.05563	3.8
212.17033	0.9
216.09660	1.0
243.03168	0.8
251.12863	1.2
271.02441	3.6
285.09497	0.8
291.28207	0.8
293.13895	1.0
299.02075	4.7
323.09753	2.3
329.08646	0.9
371.09830	0.9
443.94547	0.9
461.12967	90.9
461.25674	6.3
462.07669	2.2
462.13303	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	461.1303
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
50.89103	0.3
59.01374	2.7
67.99144	0.2
69.92802	1.0
69.93229	0.9
71.01393	2.6
72.99323	0.3
73.02932	0.7
76.52648	0.2
80.02699	0.4
85.02982	1.2
89.02449	2.0
89.85860	0.3
92.65349	0.3
93.03480	0.8
99.00911	1.8
101.02454	2.2
108.02190	26.3
109.02396	0.5
109.03040	0.7
113.02470	1.2
117.49651	0.2
119.03513	0.7
119.05050	0.9
123.00925	0.3
123.04544	15.3
124.01656	0.3
124.04892	0.5
137.02458	2.0
138.05605	0.6
143.03531	0.4
152.01175	62.9
153.01514	3.1
161.04613	0.9
167.03516	100.0
168.03842	5.3
179.05682	0.3
191.05611	1.9
209.04578	0.3
299.11334	2.1
329.08759	2.7
330.09348	0.3
341.08792	0.3
461.12985	38.7
461.26038	0.9
462.07239	0.6
462.13364	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
51.83310	0.3
53.05235	0.3
57.03409	0.6
59.01341	1.5
69.71216	1.2
69.71637	1.4
69.91862	0.4
71.01362	0.5
82.54613	0.3
83.01366	0.7
105.45571	0.4
107.01393	0.8
124.01627	0.6
125.02399	0.9
132.04457	0.6
133.05325	0.7
147.00874	0.4
151.00401	2.9
153.01944	0.4
157.02771	0.4
160.04086	0.8
164.01160	0.5
171.04489	1.3
175.04037	0.5
178.99788	0.6
186.03235	0.6
187.03947	0.8
197.02568	0.4
198.03288	0.4
199.04027	4.9
201.01923	1.5
203.03462	0.8
214.02716	0.6
215.03502	4.6
216.04088	0.4
225.02100	0.4
226.02652	0.7
227.03535	5.4
228.03934	0.5
229.01234	0.4
238.08698	5.6
239.09076	6.4
241.01402	2.7
242.02222	11.2
243.02979	45.7
244.03316	4.3
245.00931	1.1
254.02289	0.4
255.03011	4.7
256.03357	0.6
257.04550	13.3
258.04929	1.4
269.98758	0.9
270.01682	16.1
271.02460	53.5
272.02887	5.9
283.02383	0.4
285.04050	26.0
286.04718	9.3
287.05377	0.7
298.01022	1.0
299.01981	22.6
300.02701	13.7
301.03238	1.3
314.04324	57.6
315.05035	36.1
316.05463	3.4
357.06061	1.1
461.11005	100.0
462.11340	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	461.1094
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
57.03423	0.4
58.83466	0.3
59.01384	3.7
61.98835	12.7
62.66541	0.3
63.02383	0.4
65.00326	0.4
71.01341	1.3
72.99260	0.3
73.02910	0.8
83.01372	0.4
85.02927	0.6
88.98817	0.5
89.02416	0.8
93.03439	1.1
97.06551	0.3
101.02403	0.8
110.00072	1.3
111.04494	0.5
113.02449	0.3
117.03410	0.5
125.02427	0.5
134.00085	0.4
135.04564	3.6
149.04478	0.3
151.00391	0.6
159.04526	0.6
161.99672	0.4
165.01944	1.8
167.10800	2.6
173.04576	0.4
179.03500	0.6
183.03062	0.5
183.04512	1.7
186.03232	0.5
187.04071	0.4
200.04660	0.3
211.04004	2.9
212.04588	0.3
214.02760	0.9
215.03560	0.3
226.02658	0.3
227.03534	14.6
228.04149	2.5
239.03572	0.7
240.04231	0.4
241.01456	3.3
241.05043	0.4
242.02106	1.2
243.02895	0.5
243.06638	1.0
244.06030	0.4
245.00990	1.6
254.02063	0.4
255.03000	58.8
256.03528	7.4
270.01672	3.5
271.02420	3.0
271.05859	1.7
274.54922	0.3
283.02499	100.0
284.03119	25.3
285.03711	1.6
298.04843	83.1
299.02090	4.0
299.05539	51.8
300.02692	0.5
300.05948	4.5
300.09320	0.4
341.06656	1.3
460.27911	0.4
461.11063	78.3
461.24069	2.0
462.11456	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	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80482	0.5
55.01879	1.6
57.03450	100.0
58.03788	1.7
59.01381	65.4
60.01699	1.1
61.98831	2.0
70.08047	0.6
70.28239	2.2
71.01388	17.9
73.02950	5.9
75.00877	0.9
78.95935	0.7
79.01885	0.5
81.03476	1.7
83.01399	4.2
83.05054	0.7
85.02955	9.1
87.00900	1.3
87.04507	0.6
89.02445	3.2
93.03470	2.3
95.01405	1.6
97.03008	0.8
98.19933	0.6
99.00903	3.1
99.04533	83.3
100.04865	2.7
101.02456	31.1
102.04996	0.5
109.02976	0.7
111.00883	0.7
111.04527	0.9
113.02470	8.5
116.92870	1.2
118.96999	0.7
119.03386	0.6
125.02464	19.4
125.06032	2.5
134.03738	0.8
137.02484	3.4
143.03506	2.9
155.03505	0.5
159.02992	2.0
161.04579	8.4
173.04565	3.7
191.05624	6.5
193.04951	0.6
233.08186	0.7
236.07059	2.2
237.07533	3.3
247.09698	1.7
270.67496	0.6
277.10718	2.1
315.18134	18.5
316.18314	2.1
331.15546	0.8
357.19250	2.6
397.22293	1.3
459.22150	10.2
459.27530	11.3
460.22330	1.2
460.27698	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	460.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15705	0.3
57.03440	0.5
59.01089	0.4
59.01382	7.7
61.98827	1.0
69.21572	0.2
71.01367	0.3
71.08188	0.6
72.47671	0.2
77.89362	0.2
83.01410	0.4
88.98835	0.4
93.03472	0.9
101.02444	0.3
107.01427	0.4
107.05042	0.9
113.02474	0.3
114.53020	0.3
117.03499	0.3
118.03001	1.4
123.04556	0.3
125.06073	0.3
129.28636	0.3
131.03806	0.5
132.04578	6.5
133.05365	9.3
134.03770	0.3
135.04536	1.8
144.04555	0.8
145.02979	0.4
151.00371	1.3
152.03580	0.3
160.04071	4.1
161.02504	0.4
161.04352	0.4
171.04413	0.4
178.99818	0.4
183.04504	0.4
186.03241	0.6
196.07422	0.3
199.04070	1.3
201.01938	0.4
203.03456	0.3
211.07672	2.2
214.02760	0.8
215.03517	1.2
227.03593	1.4
236.06850	0.3
237.07970	4.8
238.08739	100.0
239.09064	10.0
241.01451	4.5
242.02200	3.2
243.02989	10.8
245.00935	2.3
255.03047	1.0
257.04550	2.6
270.01685	6.9
271.02475	14.8
283.02353	0.3
284.02963	0.4
285.04080	4.9
286.04767	1.4
298.01282	1.7
299.01987	10.2
299.18726	0.4
300.02707	2.3
301.03616	0.4
314.04346	11.0
315.05121	6.4
443.06418	0.3
460.28345	0.6
461.11844	18.5
461.23862	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	460.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
66.47763	0.6
71.11711	1.4
96.04467	0.6
100.15823	0.5
171.13914	8.0
172.14291	0.8
181.08615	0.6
184.38765	0.6
185.15550	0.6
199.17120	1.7
325.30966	2.8
351.29031	0.7
353.30823	0.7
459.18335	0.6
459.44595	0.6
460.28210	1.0
461.29376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0728
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
57.03441	0.5
59.01381	3.0
61.98831	1.0
63.02403	1.1
65.00300	1.5
68.99834	0.3
71.01385	1.6
71.71400	0.4
72.99316	0.3
73.02919	0.4
75.00870	0.5
83.01395	0.9
85.02972	1.6
87.00900	0.6
89.02448	1.3
91.01922	0.3
93.03484	0.5
95.01385	0.6
97.80526	0.2
99.00898	0.7
101.02451	0.6
105.03458	0.5
107.01396	2.4
109.02975	1.0
113.02460	1.4
119.05035	0.3
121.02949	0.5
123.00925	0.5
125.02470	0.7
130.04239	0.4
133.02974	3.1
135.00920	0.5
135.04515	0.5
137.06084	0.3
143.05055	0.8
145.02963	0.8
146.03748	0.4
147.00871	0.4
147.04575	0.6
149.02460	1.0
149.08972	0.2
151.00400	5.3
155.05064	0.6
157.02937	0.5
158.03763	2.3
159.04343	0.3
160.01663	0.3
161.02455	2.7
165.03299	0.3
169.01472	0.6
170.03709	0.6
171.04510	1.8
172.01654	1.2
173.02483	0.5
173.04535	0.5
174.03241	0.9
175.00406	0.3
175.04002	1.2
177.01947	0.4
178.99913	2.0
179.03508	0.6
183.04536	0.9
185.02495	1.0
186.03230	4.9
187.03801	1.0
189.01920	2.0
189.05490	0.3
190.02734	0.6
191.05620	1.1
192.00755	0.5
193.01526	0.3
198.03233	2.1
199.04027	4.1
201.01974	1.7
202.02672	0.3
203.03482	0.9
207.02872	0.2
211.03888	0.3
213.01973	0.7
213.05518	0.3
214.02721	9.8
215.03432	2.6
216.00635	1.9
216.10252	0.3
216.92383	0.3
217.01366	1.6
217.05064	0.5
218.02287	1.3
226.02667	0.6
227.03452	3.1
229.01312	0.4
239.03435	0.5
241.01434	54.0
242.02141	20.7
243.02895	7.0
244.03319	0.5
245.00908	26.7
246.01233	2.2
255.02869	1.3
256.03601	0.4
269.04230	0.4
270.01691	57.5
271.02426	47.6
272.02808	4.9
272.05521	0.5
273.00394	1.1
274.01062	0.5
282.01785	1.4
283.02353	1.2
284.03137	0.5
285.04050	35.0
286.04352	3.6
297.04001	0.6
298.01215	21.7
299.01971	62.0
300.02383	6.0
301.03558	0.6
312.02649	0.4
313.03458	0.9
323.01743	0.3
327.04962	0.5
341.02783	1.3
357.06134	0.4
433.07721	4.0
434.08325	0.5
460.27725	0.3
461.07245	100.0
462.07581	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	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
57.22927	1.0
58.00600	1.0
58.03792	1.6
58.14303	0.9
59.01383	78.4
60.01707	2.3
61.98834	37.0
67.01878	0.9
69.03457	2.4
71.01387	24.6
72.99301	1.4
73.02962	10.6
75.00906	2.0
78.60816	0.9
78.95906	2.3
79.64445	1.0
81.03473	2.6
83.01399	5.5
83.05053	0.9
85.02961	7.8
87.00907	2.6
89.02449	10.8
93.03474	5.9
95.01412	1.7
97.02988	1.6
98.19727	1.4
99.00928	1.9
99.04535	81.2
100.04861	2.7
101.02457	35.1
102.02803	1.3
109.02988	1.9
111.04547	3.0
113.02477	10.3
113.06114	1.6
116.92849	2.2
118.30406	0.8
119.03519	4.1
121.02968	2.5
123.04551	7.0
124.04057	3.5
125.02476	26.3
125.04407	1.5
125.06102	3.9
135.03014	3.2
135.04565	1.5
136.03275	1.0
137.02464	3.4
141.05556	1.7
143.03522	4.4
149.04568	2.2
149.09750	37.7
153.05681	1.1
155.03499	1.5
159.03033	1.3
161.04568	5.4
173.04588	9.1
179.05624	3.2
189.07820	0.9
191.05630	17.5
192.06081	1.1
200.98912	1.1
209.11882	1.0
225.05510	1.8
233.08208	1.2
236.44305	0.9
237.14912	1.6
241.05000	0.9
247.09706	1.9
277.10794	3.1
278.17584	2.0
279.18002	5.1
297.18933	1.4
302.22263	0.9
307.17523	1.4
315.18152	8.1
331.15424	1.6
333.13797	1.0
341.18008	1.4
357.19193	1.5
375.17990	1.1
401.08807	3.3
459.22272	8.2
459.27545	21.8
460.28015	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
57.03452	100.0
58.03787	2.1
59.01382	71.7
60.01724	0.8
61.98820	0.7
62.56432	0.5
65.03954	0.5
69.03486	0.8
71.01391	21.3
71.19140	1.2
71.19472	0.6
73.02958	6.6
75.00867	0.5
81.03479	1.9
83.01393	3.6
85.02958	11.5
87.00887	1.3
89.02444	2.8
90.31142	0.5
93.03474	2.2
95.01406	1.4
98.87244	0.5
99.00905	2.9
99.04536	77.0
100.04868	2.7
101.02463	29.3
102.02827	0.6
109.02992	0.8
111.04495	0.7
113.02471	7.7
119.03521	1.0
121.02966	1.1
125.02470	19.9
125.06101	1.1
137.02473	1.4
140.82031	0.6
143.03484	2.1
159.02988	1.6
161.04562	8.5
173.04568	4.5
191.05673	7.1
247.09537	0.6
315.18155	17.3
316.18344	1.7
343.09827	0.5
357.19009	1.5
421.20065	0.5
459.22141	5.1
459.27902	3.9
459.65594	0.6
460.22455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01389	3.6
60.99336	0.6
66.03497	1.7
68.05070	0.7
68.99795	0.5
69.03458	12.6
70.02993	1.0
70.03777	0.6
70.86167	1.1
71.01379	2.4
71.05038	1.0
72.00912	0.6
72.99312	2.4
75.00445	1.2
75.00880	22.8
80.05070	2.0
81.03470	0.9
82.03012	1.8
83.05038	1.0
84.04553	0.8
85.02969	1.4
86.02489	1.6
87.00878	1.8
89.02468	3.4
93.03487	0.9
94.03012	2.5
96.00929	2.8
96.04565	2.6
97.02961	2.1
98.02511	0.9
99.00878	5.0
100.00420	2.2
101.02458	1.2
104.03584	0.7
108.04568	1.3
109.02958	0.6
112.04073	4.1
114.01987	1.3
115.00408	1.4
115.75172	0.5
116.03561	1.1
117.01962	1.5
122.02499	1.1
123.00912	4.9
124.04066	94.1
125.04423	3.7
130.01492	6.2
135.03021	42.0
136.03371	0.9
137.02429	1.2
139.02811	0.6
140.03470	0.7
142.05115	1.9
146.71890	0.5
151.11400	0.6
152.03551	1.0
153.12823	3.5
160.02469	1.0
160.29247	0.5
164.39197	0.6
169.16000	3.8
171.13939	6.6
173.04576	2.0
175.02505	0.9
179.14430	6.7
181.15996	6.5
182.04575	1.1
191.05638	4.1
192.17551	1.0
195.13927	2.3
195.17580	2.2
196.17154	0.9
197.15477	2.1
209.15536	4.1
220.17097	9.0
222.18660	7.7
232.17139	2.7
234.18620	3.6
235.13501	1.3
236.14215	0.9
236.16568	2.1
237.15097	3.0
238.18198	2.0
246.68877	0.7
248.16553	7.0
250.18124	6.0
251.16457	1.0
252.15987	1.0
252.19664	1.4
260.16611	2.7
262.18115	1.8
264.16052	9.9
265.14224	0.9
266.17621	1.9
267.16049	0.7
268.19254	0.8
276.16077	1.1
278.17624	100.0
279.18118	10.5
280.15527	3.8
284.18744	4.7
290.17538	0.9
292.19257	0.7
294.17203	2.8
296.18695	29.4
297.19098	3.0
306.17117	18.5
307.17599	2.6
310.16739	0.9
310.19983	0.7
318.17188	1.7
322.16541	1.6
324.18271	2.7
336.18234	3.2
338.16037	4.0
340.17657	31.6
341.17905	4.0
353.16138	1.6
368.17365	1.7
378.19260	1.0
396.20358	4.7
398.18030	0.9
458.20160	1.6
459.27765	1.5
473.50867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48135	1.3
61.98833	100.0
63.88541	1.2
69.37633	15.8
76.11922	1.3
93.30315	1.3
96.16160	1.2
184.32713	1.3
197.15585	1.4
207.78474	1.4
250.34145	1.2
431.95319	1.3
442.75705	1.3
459.27594	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	459.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01367	1.0
69.47677	2.6
71.01374	0.8
73.02956	37.1
74.03302	0.7
78.95918	0.6
83.05067	0.3
85.02989	0.6
87.00900	0.4
88.98820	1.0
89.02460	0.6
93.03468	0.7
96.96995	0.4
97.36372	0.3
99.00897	4.6
99.04504	0.4
99.92596	0.5
101.02441	0.6
108.02222	0.7
109.02958	3.5
111.04523	1.9
116.92879	7.7
117.01960	100.0
117.92915	0.6
118.02283	2.4
121.03056	0.3
123.04498	0.3
125.06119	0.4
127.25290	0.3
127.54951	0.3
133.02980	0.8
135.04558	0.3
137.02477	0.4
151.04022	5.3
152.04411	0.3
153.02055	0.3
161.02457	0.4
161.04594	0.7
173.04555	2.2
177.01971	0.5
191.05663	4.5
195.02977	0.7
200.35869	0.3
213.04088	4.7
214.04378	0.4
224.94157	0.4
263.07672	0.4
283.10364	0.3
284.29861	0.3
323.09784	0.4
331.15408	0.3
369.08322	0.7
387.09311	2.1
459.27826	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	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
56.79110	0.5
57.03451	100.0
58.00599	0.9
58.03792	2.1
59.01382	73.0
60.01714	0.9
61.98835	31.5
63.78755	0.5
65.02760	0.5
67.01917	0.7
69.03460	1.4
70.28156	1.1
70.28551	1.5
71.01389	24.1
72.01730	0.7
72.99321	1.7
73.02960	9.9
75.00883	2.7
81.03479	2.0
83.01399	5.5
85.02960	6.6
87.00879	1.3
89.02456	10.1
93.03487	3.0
95.01408	0.8
97.06609	0.7
99.00899	1.7
99.04536	78.5
100.04847	2.6
101.02460	37.2
102.02792	0.8
109.02969	0.8
111.04523	0.6
113.02459	9.1
113.06055	1.1
116.92899	0.6
119.03535	4.2
123.04552	4.9
124.04070	5.4
125.02473	23.1
125.04374	1.9
125.06084	2.2
126.02800	0.9
129.01852	0.6
130.01485	0.8
131.03526	0.9
135.03011	4.5
136.03386	1.2
137.02473	1.8
141.05586	1.1
143.03552	3.7
144.03688	0.6
149.04518	1.5
149.09744	35.8
153.05603	0.8
155.03491	0.8
161.04587	6.5
173.04597	4.3
178.21852	0.5
179.05653	2.9
180.15027	0.5
181.16069	0.6
188.35558	0.5
191.05621	6.3
195.14006	0.6
200.54103	0.5
205.12413	0.6
219.06578	1.1
221.17392	0.6
223.13446	0.6
243.48062	0.5
247.09627	1.1
264.52927	0.6
277.10745	1.4
278.17480	1.6
279.17987	5.1
297.18985	1.5
307.17529	1.4
315.14835	0.8
315.18155	9.7
316.18262	1.0
331.15317	0.7
341.17990	0.9
357.19162	1.2
375.17987	1.1
457.91495	0.6
459.22131	8.6
459.27411	9.6
460.22400	1.5
460.27875	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	456.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57179	0.7
59.01373	2.0
61.98822	2.5
63.64108	0.8
69.03456	3.6
69.76649	1.3
69.77061	3.9
71.01366	1.5
75.00870	3.2
78.95933	1.2
81.03448	1.1
82.02968	1.1
83.05021	1.0
84.04559	2.7
85.02964	5.5
87.00887	0.8
89.02476	0.8
93.03457	3.4
98.02494	77.8
99.00925	0.9
99.02805	1.5
100.04064	1.5
102.05635	2.9
109.02920	0.7
111.04534	1.0
112.04076	1.6
122.06155	1.3
125.06142	0.9
128.52060	0.9
135.03017	8.0
137.02457	1.6
140.07191	2.8
146.04671	2.3
155.03500	1.1
166.05180	0.8
173.04572	2.2
174.69144	0.6
179.14456	3.0
181.16025	2.3
184.06172	51.1
185.06487	2.1
191.05666	4.6
195.13969	1.4
224.16571	1.6
236.16563	1.4
248.16631	1.3
250.14461	0.8
252.16055	8.6
253.16389	1.1
266.17621	1.1
280.15485	4.4
282.21021	1.0
291.16034	3.5
338.19745	100.0
339.20096	12.9
348.13861	0.8
455.35254	1.7
456.35916	4.5
457.26041	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	456.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01381	0.7
61.98825	0.3
69.03460	2.9
69.39851	1.6
69.40281	1.0
70.02979	0.5
72.99326	0.5
75.00879	4.3
82.03002	0.8
84.04550	3.1
85.02954	3.2
87.00885	0.3
89.02466	0.5
93.03488	0.4
98.02491	72.3
99.00904	0.4
99.02822	1.7
100.04061	0.6
102.05627	0.9
112.04038	0.8
112.07719	0.7
117.14138	0.2
118.17870	0.3
122.06143	1.2
135.03020	5.9
140.07211	2.1
153.12891	0.8
158.04547	0.3
166.05095	1.1
173.04599	0.6
179.14450	3.3
181.16000	1.6
184.06168	46.9
185.06522	2.9
191.05643	0.7
195.13943	0.9
197.15562	0.3
224.16563	1.9
234.14951	0.6
236.16612	1.3
237.14781	0.3
248.16553	1.3
250.14476	0.6
250.21765	0.4
252.16043	8.4
253.16318	1.1
276.19736	1.1
280.15546	7.7
281.15872	0.8
291.15927	0.5
294.20670	0.5
308.89600	0.3
320.18863	0.6
321.29446	0.3
322.20093	0.5
336.18182	0.4
338.19727	100.0
339.20078	11.6
366.19327	2.6
367.19290	0.4
373.24405	0.3
394.22079	0.3
396.20343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.01381	2.7
61.98833	12.1
70.51991	0.7
70.52347	0.4
71.01392	2.0
73.02950	1.1
83.01398	0.4
85.02966	0.8
89.02444	1.2
93.03471	1.3
99.00903	1.3
99.04533	1.9
100.24387	0.3
101.01878	0.3
101.02448	1.7
102.64001	0.2
102.82359	0.3
109.02982	0.4
113.02502	0.7
117.03495	0.3
119.05046	100.0
120.05385	5.0
125.02449	0.7
133.06580	0.4
134.95836	0.3
135.04547	0.7
137.02473	0.3
143.03479	0.5
145.02975	1.1
150.05663	0.3
161.04602	0.4
161.06120	0.8
163.04030	55.5
164.04372	2.9
173.04587	0.8
179.03473	0.3
191.05641	2.2
192.26633	0.2
205.04991	0.8
251.11339	0.4
312.10919	0.3
325.09268	0.5
395.15643	1.0
457.13501	68.1
458.13800	11.3
458.20313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44183	0.4
53.31571	0.4
57.03449	100.0
57.20239	0.3
58.00579	0.9
58.03774	1.8
59.01381	61.9
60.01732	1.0
69.03457	0.5
70.46603	0.8
70.46983	0.9
71.01387	18.5
72.99313	1.3
73.02956	10.2
79.05565	0.5
81.03478	2.1
83.01399	3.9
85.02971	3.7
87.00892	1.3
89.02456	16.1
95.01383	0.9
97.06612	0.7
98.20514	0.6
99.04533	70.7
100.04871	2.2
101.02458	31.9
102.02776	1.3
113.02460	9.2
113.06098	1.1
119.03516	6.8
123.04545	5.9
124.04775	0.4
125.02467	20.1
126.02803	0.9
126.05641	0.4
131.03511	1.8
141.05603	1.6
143.03511	4.2
149.04572	1.9
153.05545	0.8
161.04581	4.5
174.17366	0.4
179.05621	4.0
183.06535	0.6
201.07658	0.5
221.06676	0.7
264.02863	0.8
265.03287	1.2
280.05756	0.5
295.07928	0.8
313.16360	1.1
457.20605	4.5
458.21207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83417	0.9
55.01873	1.0
57.03451	100.0
58.00603	1.0
58.03783	2.1
59.01382	83.2
61.98841	6.8
68.96197	0.9
70.71557	0.8
71.01394	19.7
71.35545	0.8
71.70753	1.2
72.55653	1.0
72.99306	1.0
73.02953	5.4
78.95924	1.2
81.03477	1.4
83.01395	4.2
85.02967	6.7
87.00900	2.1
89.02464	6.5
93.03468	2.2
95.01388	1.5
99.00919	2.5
99.04537	80.4
100.04897	1.2
101.02458	31.2
109.02959	5.5
113.02462	6.0
115.00369	2.0
119.03532	1.5
125.02469	23.6
133.02943	1.5
135.04543	8.7
136.04840	1.5
143.03494	1.1
147.04538	2.3
148.05251	0.9
159.23022	0.9
161.04591	5.8
161.05960	1.7
166.97052	1.0
173.04515	1.6
178.02667	1.9
179.03523	4.4
189.01968	1.1
191.05652	2.8
213.05521	1.0
214.96973	1.0
241.05179	1.6
251.07108	1.3
267.06720	2.1
268.07343	3.9
269.08240	13.1
270.08624	2.2
294.07660	2.2
299.01901	1.1
311.15005	20.0
312.15509	1.3
313.07397	1.4
314.07999	1.5
353.16135	1.5
455.13397	4.0
455.18887	2.0
455.35400	3.8
456.35718	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83417	0.9
55.01873	1.0
57.03451	100.0
58.00603	1.0
58.03783	2.1
59.01382	83.2
61.98841	6.8
68.96197	0.9
70.71557	0.8
71.01394	19.7
71.35545	0.8
71.70753	1.2
72.55653	1.0
72.99306	1.0
73.02953	5.4
78.95924	1.2
81.03477	1.4
83.01395	4.2
85.02967	6.7
87.00900	2.1
89.02464	6.5
93.03468	2.2
95.01388	1.5
99.00919	2.5
99.04537	80.4
100.04897	1.2
101.02458	31.2
109.02959	5.5
113.02462	6.0
115.00369	2.0
119.03532	1.5
125.02469	23.6
133.02943	1.5
135.04543	8.7
136.04840	1.5
143.03494	1.1
147.04538	2.3
148.05251	0.9
159.23022	0.9
161.04591	5.8
161.05960	1.7
166.97052	1.0
173.04515	1.6
178.02667	1.9
179.03523	4.4
189.01968	1.1
191.05652	2.8
213.05521	1.0
214.96973	1.0
241.05179	1.6
251.07108	1.3
267.06720	2.1
268.07343	3.9
269.08240	13.1
270.08624	2.2
294.07660	2.2
299.01901	1.1
311.15005	20.0
312.15509	1.3
313.07397	1.4
314.07999	1.5
353.16135	1.5
455.13397	4.0
455.18887	2.0
455.35400	3.8
456.35718	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	456.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28989	0.4
57.03452	15.7
59.01382	17.1
61.98835	100.0
71.01385	2.6
71.05019	0.5
71.08312	0.6
71.08656	0.8
73.02970	1.2
75.98167	0.4
78.31255	0.4
83.01400	0.7
83.74809	0.4
85.02978	1.7
87.00901	0.6
89.02467	0.8
93.03493	1.0
96.96117	0.4
99.00885	0.5
99.04536	16.3
100.04849	0.5
101.02464	8.4
102.02843	0.4
108.02232	0.9
108.18922	0.4
109.02985	0.9
113.02476	1.2
125.02480	5.2
130.03387	0.5
132.02066	0.4
135.04559	0.7
137.02452	0.7
138.15062	0.4
143.03551	0.9
146.08270	3.5
152.01147	0.7
161.02534	0.5
161.04579	1.1
173.04579	1.8
179.03595	0.5
190.11267	0.4
191.05699	2.4
197.04541	0.6
217.12129	0.7
235.09677	0.4
235.13562	0.4
249.13431	4.7
256.06528	1.0
271.02490	0.5
277.12317	1.4
291.14594	1.7
300.02969	0.5
331.17798	0.8
353.37625	0.4
393.17334	8.1
393.21649	1.8
394.18030	0.6
456.13388	0.7
456.35898	0.4
457.16931	3.0
457.26019	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
58.00585	2.1
59.01383	37.9
61.98824	4.3
67.01897	0.9
69.03465	1.2
69.72986	6.7
71.01385	18.6
72.99300	2.1
73.02946	2.4
78.95922	1.3
81.03486	1.5
83.01400	1.9
83.05029	1.6
85.02950	5.9
89.02457	21.0
93.03477	2.9
95.01392	2.2
95.05026	4.4
96.96973	2.3
97.02937	5.1
101.02452	10.2
101.73377	0.8
102.16555	1.0
107.05081	2.0
108.02187	1.0
109.03014	5.5
109.06628	5.4
111.04535	7.1
113.02452	9.5
114.44073	1.0
116.92885	2.5
118.77524	1.0
119.03540	6.8
121.06606	4.1
122.03767	38.2
123.04612	2.4
124.05363	6.2
125.02435	2.0
125.06097	1.7
135.04546	5.2
136.05327	13.6
137.06110	22.2
138.06876	2.4
139.07678	23.1
140.08022	1.4
143.03549	1.3
145.10229	2.2
147.04590	1.3
147.08167	1.6
149.06100	2.6
149.09697	1.2
151.04041	1.7
161.09700	1.6
163.07680	2.3
163.11342	2.7
169.10233	1.6
171.08177	7.0
172.08832	1.7
173.04596	1.5
173.06116	1.0
179.05615	1.5
185.09738	3.1
187.11311	41.6
188.11613	3.7
189.09288	2.7
190.10022	4.2
191.05597	4.6
203.10777	1.1
205.12346	22.5
206.12671	1.4
208.86287	1.0
213.09250	2.9
216.07922	1.8
229.12354	1.5
230.17749	1.2
231.10278	16.8
249.11282	14.1
250.11664	1.9
273.11298	2.1
275.09293	2.7
293.10315	100.0
294.10687	10.3
335.11536	3.3
336.11499	1.0
348.15576	0.9
394.98148	1.0
455.10608	2.7
455.15598	67.6
455.35208	3.0
456.15991	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	455.0976
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
57.03451	0.4
59.01379	1.5
60.99304	0.8
61.98824	0.5
70.40397	0.9
71.01382	0.7
73.02949	0.4
78.95911	79.4
85.02946	0.3
88.98819	5.8
89.02470	0.6
91.37535	0.2
93.03466	0.5
96.96976	100.0
99.04507	0.5
99.92601	1.0
101.02451	0.8
109.02962	0.3
111.04545	0.3
113.02490	0.4
115.92105	0.3
116.92877	16.9
117.01965	0.7
117.92890	1.1
125.02485	0.4
133.02917	0.3
135.04559	1.4
136.04866	0.5
137.02470	0.5
138.98045	3.6
150.05632	0.6
155.03549	0.4
161.02475	0.4
161.04582	0.4
173.04488	0.5
177.01877	1.3
179.03535	0.7
180.99101	0.4
184.08798	0.6
191.05611	0.7
198.06744	1.5
199.00143	11.7
199.07207	0.3
200.00557	0.4
212.08298	5.0
213.01711	11.1
214.02097	0.3
241.07333	4.4
242.07553	0.3
255.08858	6.4
255.11526	0.4
256.09128	0.6
294.09714	0.4
312.11032	0.3
339.06958	0.3
354.09094	0.5
388.56226	0.3
392.06311	0.3
395.23181	0.5
437.08878	0.3
455.09708	29.3
456.09933	3.8
456.15625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56368	0.3
57.03452	20.0
58.03786	0.4
59.01381	17.2
61.98835	100.0
68.79473	0.3
70.71942	0.7
70.72314	0.7
71.01391	3.0
73.02969	1.3
81.03513	0.3
83.01404	1.1
83.05048	0.5
89.02455	4.5
95.01458	0.4
98.19836	0.3
99.04537	20.1
100.04886	0.5
101.02455	9.0
105.13905	0.3
109.77074	0.3
113.02448	1.7
114.02728	0.4
119.03561	1.4
123.04529	0.5
125.02475	7.8
131.03522	0.5
135.04533	0.6
143.03554	1.8
149.04575	0.8
150.07884	0.4
161.04587	1.7
173.04559	0.5
176.04121	1.1
179.03574	0.8
179.05702	1.0
195.26979	0.4
208.99136	0.4
221.06682	1.0
247.11995	1.2
289.12869	1.9
296.82870	0.3
316.36395	0.4
329.16238	1.1
391.16101	11.6
392.16565	1.4
395.19220	0.7
453.33475	2.5
454.13641	1.0
454.33810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
61.98556	1.3
61.98817	6.5
65.99848	3.2
68.01421	2.4
69.98642	8.4
70.02985	3.1
72.99332	9.4
78.95908	11.4
79.16570	1.3
81.03484	1.5
83.05032	1.4
85.04792	1.3
93.03484	4.7
96.00856	1.6
96.96981	7.4
98.02478	1.9
98.28420	1.2
99.00855	1.3
99.92604	64.1
100.92625	4.0
100.93362	2.4
105.01946	1.5
109.02975	2.0
109.93409	2.6
110.06134	2.2
111.04543	2.0
115.92101	67.4
116.92190	3.5
116.92880	100.0
117.92898	6.1
117.93662	2.5
122.02467	2.3
125.92896	3.6
126.93694	4.9
135.04512	1.7
137.02451	2.3
148.85645	1.4
157.91896	1.7
179.14429	2.4
181.95569	1.4
184.95482	4.0
188.95013	1.4
191.05586	2.0
194.15427	3.1
197.15454	3.1
199.96590	7.1
220.13446	2.5
222.15016	15.7
223.15352	1.8
224.16571	11.4
225.15030	3.1
234.18671	1.3
262.18094	2.4
264.19730	4.5
278.17593	4.3
289.07779	1.4
306.08014	4.3
308.09607	4.8
310.20117	2.7
322.07321	1.8
336.12979	1.5
348.12613	6.4
350.76605	1.3
354.19363	2.6
355.92868	1.3
362.10678	5.2
363.11194	2.2
376.08575	4.1
380.11719	3.7
392.11710	13.7
393.11984	2.9
406.09747	2.6
410.12833	5.3
411.13455	3.6
436.10739	10.5
437.10815	3.9
454.11795	32.8
455.11963	6.7
455.23569	1.3
455.35168	5.3
465.82318	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
57.92593	0.6
59.01377	7.6
61.98835	2.2
63.49773	0.5
69.44618	0.5
71.01379	3.6
72.97555	0.6
72.99314	0.7
74.99106	1.3
78.95916	10.5
83.01440	0.7
85.02972	2.6
85.18858	0.7
87.00904	3.2
88.98813	0.9
89.02455	3.0
93.03474	2.5
96.96041	9.5
96.96976	24.1
97.02947	0.9
98.95621	6.5
98.96446	1.4
99.00903	2.1
99.04573	0.7
99.92600	40.5
100.92601	3.2
100.93385	3.7
101.02453	1.7
108.02190	3.7
108.04572	1.1
109.02993	2.9
111.00922	1.1
113.02483	1.5
114.93433	1.3
115.86750	0.6
115.92097	53.0
116.92097	3.9
116.92884	13.4
118.98081	1.2
119.03510	1.5
119.05067	0.6
122.06151	0.7
123.00945	0.8
123.03339	0.8
124.04090	0.6
125.02465	1.7
133.02983	5.0
134.02528	1.5
134.03741	3.4
135.04558	9.6
136.04030	1.0
136.07695	1.7
137.02495	1.3
138.05637	1.4
142.94495	0.7
147.00856	0.9
149.02411	0.7
151.04092	0.6
152.01204	1.7
153.02002	0.8
160.75085	0.7
161.02455	1.5
161.04613	0.8
163.03986	1.0
168.95946	1.5
169.93158	0.8
173.04536	3.5
177.01891	1.0
179.03529	8.0
179.05673	1.0
191.05615	8.4
192.06021	1.7
193.06248	1.4
193.96811	0.7
195.06706	1.0
203.95247	0.9
206.93834	0.8
207.94731	1.5
210.97040	4.0
215.95216	11.5
216.96007	6.5
217.96768	13.3
218.97560	24.3
219.94713	9.0
219.97755	2.9
220.95349	2.8
221.96255	2.2
229.09831	0.7
231.94749	1.3
232.95406	0.9
234.97047	4.8
238.96577	1.8
243.11346	1.0
243.94724	0.9
244.95480	2.5
248.94995	1.2
255.96834	1.1
256.97528	3.8
260.94977	3.6
261.95697	7.5
262.96521	40.4
263.96655	5.4
278.95929	2.9
291.14166	0.7
294.95514	0.7
307.08237	1.5
312.73709	0.7
354.98834	1.5
355.09280	1.1
366.06070	0.7
373.00238	100.0
374.00488	18.7
375.20328	0.8
391.01245	4.3
392.01227	0.6
435.00305	7.7
436.00299	1.2
453.09515	0.8
454.13571	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	453.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72187	0.6
59.01396	1.1
62.89877	0.5
69.81798	4.0
71.01402	0.6
74.39280	0.5
79.95750	0.9
83.01368	0.6
85.02964	1.4
93.03478	1.1
96.96028	9.9
96.96974	0.8
98.95610	12.9
98.96439	2.3
99.92597	31.6
100.92635	2.3
100.93375	4.4
108.02156	1.0
109.02984	0.7
111.00925	0.7
115.92093	51.8
116.92101	4.3
116.92879	9.3
117.92841	0.7
125.02486	0.9
128.25067	0.6
132.02231	0.6
132.67300	0.7
133.02974	1.9
134.03770	5.0
135.04565	10.4
142.94453	0.6
160.04149	0.6
161.01274	0.7
161.02406	2.7
168.96001	0.7
173.04604	1.0
174.98679	0.6
177.01953	0.9
179.03534	6.0
191.05615	10.0
192.05939	3.4
193.06090	5.3
199.95828	0.7
207.94702	0.7
210.97034	2.6
215.95155	3.1
216.96021	6.3
217.96782	14.0
218.97562	45.3
219.94739	1.8
219.97705	5.3
220.95302	0.8
221.96228	2.1
228.98051	0.6
231.94704	1.2
234.97076	1.1
238.16641	0.7
243.94870	0.9
244.95488	4.7
245.95920	0.8
250.96428	0.8
256.97375	1.0
260.95078	0.8
261.95740	2.8
262.96524	100.0
263.96686	12.0
307.08301	1.9
310.07678	0.8
353.08972	0.7
355.09424	2.7
373.00278	14.9
374.00513	2.5
378.68744	0.6
391.01276	53.5
392.01559	10.6
416.99454	1.0
423.00247	0.8
435.00198	1.9
453.01245	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2784
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
57.50598	0.1
60.87606	0.1
61.98821	0.3
62.96415	0.2
70.31836	0.5
78.95914	17.9
86.67352	0.1
93.03475	0.4
96.96977	0.2
122.00175	0.8
122.98579	0.3
134.98552	0.4
137.02443	0.5
138.02844	0.1
140.01210	5.4
144.04492	0.2
152.99596	1.6
166.02777	0.1
196.03821	9.4
197.04147	0.3
200.74329	0.1
214.04866	2.0
237.22202	0.2
255.23293	100.0
256.23639	11.0
257.36365	0.1
276.30164	0.1
314.77789	0.1
353.93082	0.1
355.90317	0.1
367.05890	0.1
452.27826	30.5
453.28214	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	453.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.6
69.94243	3.3
89.01885	0.5
96.96025	16.1
98.10890	0.5
98.95606	17.9
98.96436	2.8
99.92599	28.7
100.92592	2.3
100.93378	3.5
115.92093	47.7
116.92092	3.8
116.92754	4.1
121.02948	0.7
133.02937	2.7
134.03749	5.9
135.04558	11.5
136.04819	1.3
147.00801	0.7
161.02458	1.6
165.01938	1.1
168.96040	0.7
173.04640	1.0
177.01984	0.7
179.03519	9.4
180.03899	1.5
181.04045	0.6
191.05621	3.6
192.05954	0.6
193.06067	1.2
203.95164	0.7
207.94749	0.7
210.97066	0.7
215.95204	1.7
216.95990	5.2
217.96771	12.4
218.97552	41.7
219.94748	2.2
219.97649	4.8
220.95413	1.2
221.96230	2.4
231.94695	0.9
234.97052	1.7
237.95618	0.7
238.96562	1.1
244.95474	2.5
245.95906	0.8
248.94847	1.1
260.94992	1.4
261.95740	3.2
262.96509	100.0
263.96664	13.0
294.95215	0.6
300.11816	0.9
307.08170	2.7
309.11908	1.0
309.99286	0.9
353.08679	1.1
355.09155	2.7
368.37021	0.7
373.00229	17.2
374.00497	2.9
391.01276	49.4
392.01529	8.5
416.99426	0.7
435.00293	1.6
453.01294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50568	0.1
57.03439	0.3
59.01371	1.8
59.24989	0.1
61.98832	100.0
62.98543	0.2
70.03564	0.7
71.01389	0.6
73.02988	0.1
73.29173	0.1
80.91713	0.1
83.01440	0.2
87.00893	0.3
89.02451	0.3
93.03477	0.4
94.03834	0.2
96.96069	0.1
101.02456	0.2
102.98624	0.5
109.02968	0.5
111.04589	0.1
113.02492	0.3
117.03512	0.2
119.05148	0.1
120.86820	0.1
123.04546	0.3
133.02986	0.2
134.03748	0.2
135.04559	0.3
137.02484	0.3
165.11365	0.1
173.04582	0.8
174.04861	0.2
175.05026	0.3
175.82689	0.1
177.01964	0.6
178.02461	0.1
179.03566	0.2
189.01898	0.1
190.02464	0.2
191.05687	0.4
218.01830	0.1
231.16026	0.4
276.09613	0.3
277.10034	0.2
278.10565	0.2
283.05118	0.5
301.03491	0.1
317.03278	0.2
340.86987	0.2
341.06985	0.2
342.07156	0.6
371.84714	0.1
392.23459	0.2
452.10455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10786	0.1
56.67518	0.2
57.03445	0.4
57.74290	0.2
59.01385	0.6
61.98833	100.0
62.98537	0.3
69.66964	0.4
69.67393	1.0
71.01389	1.4
72.65916	0.1
75.00882	0.2
80.91685	0.2
83.01410	0.4
85.02950	0.4
87.00865	0.2
93.03472	0.2
99.00890	0.9
111.00899	1.6
112.98833	3.4
115.00395	0.2
116.05164	0.2
120.57062	0.1
129.01959	0.9
135.03033	0.3
142.99881	1.6
153.92020	0.1
173.00919	2.3
173.04573	0.2
181.16005	0.2
191.05579	0.3
197.15485	0.4
221.15411	0.2
236.00543	0.5
254.01563	0.3
262.96570	0.2
265.14410	0.9
293.13928	0.9
371.17142	0.3
449.21567	0.1
452.33707	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46041	1.0
55.01874	1.6
57.03463	4.6
59.01371	4.6
61.98835	100.0
67.01898	1.2
68.99802	1.9
69.03454	2.6
69.51745	0.8
71.01396	8.6
71.05015	1.7
72.99325	1.2
73.02946	1.1
75.00874	1.0
83.01393	4.5
85.02949	7.7
87.00890	3.5
96.95944	1.1
98.19900	2.1
99.00889	19.6
101.02470	1.3
108.02208	1.7
109.02930	1.0
109.49719	0.9
111.00906	9.4
111.04559	1.3
112.98827	65.8
113.02474	2.7
113.99174	1.4
115.00375	2.8
124.01632	1.7
124.98837	1.0
125.02489	1.7
129.01945	2.8
135.03020	2.9
137.02489	1.1
139.00406	10.2
142.78860	0.9
142.99892	15.9
145.01469	4.5
145.17368	1.1
152.01221	1.2
156.32411	0.9
171.13943	1.2
173.00928	61.4
173.04362	1.9
174.01260	2.0
179.14392	1.4
181.16002	14.5
182.16328	1.7
191.05569	1.5
193.15961	5.2
197.15488	46.8
198.15819	2.8
198.61092	0.9
198.63696	1.0
209.15500	7.2
221.15471	2.2
225.14876	1.2
237.14954	13.5
238.15430	1.1
239.16505	2.4
247.17015	1.8
249.14896	3.5
255.16293	1.4
255.23326	1.5
265.14444	62.7
266.14816	6.2
267.15942	4.6
279.16022	2.1
293.13956	65.9
294.14240	7.5
309.16891	1.1
325.16544	6.1
327.17941	2.2
328.18210	1.0
345.19150	1.7
353.16223	5.7
371.17072	14.6
372.17593	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	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
59.56023	0.8
60.99306	17.0
61.98834	0.9
62.92825	0.9
70.73288	1.9
71.01377	1.2
78.95903	1.2
85.02987	1.6
87.00887	2.4
88.00430	3.4
88.98817	100.0
89.02457	51.0
89.99167	1.3
90.02770	1.1
93.03477	6.4
94.03753	1.0
97.35110	0.9
108.02290	0.8
111.04567	1.2
133.02992	1.5
134.18471	1.1
135.04564	1.6
173.04573	8.3
174.05006	1.9
179.03633	1.2
186.55937	1.0
191.05643	12.9
192.05975	2.5
334.14795	1.1
362.63663	0.9
396.46802	1.0
451.15768	1.1
460.49988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61682	0.9
55.01657	1.2
55.01868	5.4
57.03439	2.4
57.25758	0.8
59.01366	1.7
61.98827	3.1
68.99846	1.1
69.03461	14.3
70.85104	2.9
70.85444	0.9
78.95908	0.9
150.38425	0.9
151.11340	6.3
153.12880	6.1
155.14433	12.2
156.14850	1.2
165.38118	0.9
169.16069	1.0
171.13910	1.0
179.14436	8.1
181.15999	52.5
182.16321	2.9
192.04431	1.0
197.15465	9.9
209.15482	100.0
210.15868	8.5
210.90225	1.1
225.14940	7.5
227.16583	2.7
235.17056	1.4
253.14449	98.0
254.14870	7.8
291.50894	1.1
361.31113	2.8
373.07404	1.0
377.30704	4.7
405.30252	3.2
451.32193	37.5
452.32544	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	451.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
60.24774	0.2
61.98832	2.6
65.03957	0.3
67.01892	0.2
69.69942	0.6
69.70369	1.1
71.01360	0.2
81.03477	0.3
85.02966	0.2
89.03992	0.4
91.01907	0.2
93.03478	1.0
95.05048	1.1
103.05537	0.7
105.03442	0.4
105.16271	0.2
108.02197	0.7
109.02969	24.7
110.03312	0.7
110.79194	0.2
117.03490	0.9
119.05067	1.1
121.02970	0.7
122.03764	0.3
123.04544	12.1
124.04852	0.5
125.39989	0.2
126.10883	0.2
129.54715	0.2
133.02982	3.6
134.03793	0.5
135.00903	0.5
135.04517	0.6
136.04276	0.2
137.02444	0.4
145.02982	1.5
147.04556	3.9
149.02502	0.5
150.03226	0.9
151.04034	6.3
152.04303	0.4
159.04509	1.3
161.02461	7.4
162.03171	0.5
163.00473	0.2
163.03990	0.8
171.81558	0.2
173.02448	0.3
173.04572	0.6
175.03964	0.4
175.05290	0.2
176.01192	1.0
176.04616	0.2
177.01949	23.6
178.02292	1.3
187.04041	1.8
188.04779	0.3
189.01952	52.7
190.02682	12.5
191.03506	10.7
191.05357	0.4
192.03862	0.5
201.01909	0.6
201.82939	0.2
203.03514	5.3
204.03825	0.3
205.05103	0.5
213.02008	0.2
215.98538	0.3
216.00648	8.1
217.01430	35.9
218.01923	4.0
219.02982	13.3
220.03363	0.9
227.07094	0.5
231.02991	11.1
232.03572	1.6
233.04414	1.2
245.08372	0.3
251.07214	0.3
276.09824	0.4
277.10056	0.3
281.04550	1.0
289.07208	1.2
297.07635	0.6
311.05527	0.2
323.05573	1.9
327.05252	0.3
341.06671	100.0
342.07016	13.1
391.23230	0.3
451.10339	29.3
452.10565	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	451.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64682	0.5
55.01913	0.5
57.03450	10.1
58.00614	0.6
58.36359	0.5
58.70075	0.5
59.01085	1.1
59.01379	20.7
60.99309	4.2
61.98511	1.0
61.98830	16.3
67.01894	13.4
69.03462	3.1
70.08019	0.6
71.01383	7.6
71.71523	1.2
72.01749	0.6
72.99301	0.8
73.02953	1.3
75.00879	1.6
81.03477	2.9
83.01401	1.2
83.05032	2.6
85.02956	7.8
86.03283	0.6
87.00378	1.1
87.00883	14.3
89.02454	0.9
93.03468	86.3
94.03793	4.1
96.96011	2.6
97.06604	2.4
99.00886	1.6
99.04535	8.4
100.04910	0.6
101.02462	4.0
107.05035	1.0
107.36843	0.6
108.02197	1.9
109.02974	20.8
110.03289	1.1
111.00905	1.3
111.04540	13.7
112.04836	0.7
113.02458	1.9
115.04027	1.0
119.05048	0.5
121.02995	1.2
123.04546	5.4
124.04916	0.6
125.02490	3.8
127.04024	1.7
129.01961	2.2
131.05049	0.6
133.02977	3.5
134.03726	1.8
135.04552	14.6
136.04921	0.7
137.02460	6.2
143.03490	0.9
145.02965	0.9
146.03792	1.0
147.04578	1.3
149.02408	0.9
149.06085	0.6
151.04022	4.1
152.00995	0.7
153.01932	1.9
155.03531	6.1
156.03825	0.9
158.03676	0.7
159.04488	1.9
161.02466	6.1
161.04630	0.9
161.06090	1.3
162.03262	3.8
163.04047	3.8
172.05252	1.1
173.04570	93.9
174.04898	7.6
174.06477	1.0
175.05194	3.1
175.07552	0.7
176.01155	0.9
176.04796	1.6
177.01942	20.0
177.09206	3.0
178.02342	0.8
179.03511	1.7
185.06062	0.7
187.04062	2.8
187.07658	10.9
188.04729	2.2
188.07986	6.4
189.01965	18.6
189.05623	1.2
189.07901	3.2
190.02724	7.6
191.05626	43.1
192.06046	3.5
193.06078	2.0
199.07797	0.7
201.05510	0.7
202.06317	0.6
203.03525	1.2
203.06757	1.1
204.04150	0.7
204.07831	2.0
205.08675	2.8
213.09265	1.2
214.09537	0.8
215.10878	3.3
216.00687	3.5
217.01453	6.4
217.05208	1.1
217.08536	1.0
218.01947	1.5
218.09348	0.7
219.03043	2.7
222.01706	1.3
227.07063	0.9
229.08658	1.9
231.02924	2.2
231.06572	3.5
231.10155	2.7
232.03616	0.7
232.07068	2.7
232.10617	2.2
233.07170	2.9
233.11923	5.2
255.06586	1.0
257.08182	1.1
259.08884	1.1
275.09271	3.0
276.09705	3.5
277.10791	16.6
278.10925	1.0
281.04562	6.3
282.04941	1.1
287.05579	1.7
289.07169	1.8
297.07663	2.7
299.05649	12.0
300.05966	1.0
307.17612	2.1
341.06668	44.3
342.07007	6.6
349.18661	0.8
353.08960	0.7
391.23380	1.8
433.15018	1.0
451.10089	11.7
451.16034	100.0
452.10614	1.7
452.16391	15.2
452.22357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01374	3.9
61.98832	4.1
69.45300	3.9
69.45716	0.5
71.01361	1.0
71.17134	0.4
73.02919	0.7
76.25977	0.4
83.01340	0.5
83.05031	0.5
85.02910	0.7
87.00851	0.6
89.02435	0.7
89.03942	0.5
93.03439	1.3
95.04996	1.1
96.96013	0.9
98.19858	0.8
99.04479	1.0
101.02412	1.1
103.05521	0.7
105.03424	0.6
108.02159	1.3
109.02971	23.4
110.03300	0.9
117.03451	0.4
118.98106	0.5
119.05040	1.9
121.02943	0.7
122.03703	0.4
123.04540	13.9
124.04852	0.5
125.02406	0.5
133.02980	3.8
135.00880	0.5
135.04555	2.3
136.04854	0.7
137.02374	0.7
139.03906	0.4
145.02951	0.8
147.04538	3.9
149.02403	0.7
150.03288	0.8
151.00336	1.7
151.04048	5.4
152.00688	1.0
153.00830	0.5
159.04495	1.0
161.02457	6.0
162.03152	0.7
163.04025	0.7
173.04559	1.7
174.04887	0.9
175.03937	0.5
177.01958	22.5
178.02275	1.3
187.03952	1.6
189.01955	51.2
190.02690	12.4
191.03458	11.0
191.05511	2.0
192.03845	0.9
192.06003	0.7
193.06006	0.7
203.03511	5.8
216.00648	7.9
217.01422	35.3
218.01988	4.2
219.00824	0.8
219.02979	14.4
220.03264	0.5
231.02968	11.6
232.03554	1.3
233.04480	1.0
276.09601	0.5
277.09940	0.6
281.04559	0.7
287.05237	1.0
288.05948	1.0
289.06808	2.5
297.07736	0.6
307.17862	0.6
323.05521	2.1
341.06680	100.0
342.06998	12.5
451.10379	30.2
451.15643	1.5
451.21652	0.8
451.32953	2.5
452.10825	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	451.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.7
59.01385	7.3
61.98831	2.1
65.00313	0.4
67.01910	0.6
69.44040	0.3
69.55958	2.9
71.01387	2.2
73.02943	1.0
83.00769	0.3
83.01378	0.4
85.02962	1.9
87.00894	0.7
89.02451	0.6
89.03967	0.4
91.01926	0.8
92.65522	0.3
93.03459	3.0
94.02911	0.3
94.03854	0.4
95.05060	0.9
96.96029	0.5
99.04528	4.6
101.02460	2.4
103.05576	0.3
105.03503	0.4
108.02196	1.0
108.97795	0.3
109.02970	26.4
109.49413	0.4
110.03301	1.2
111.04561	0.8
113.02445	0.7
117.03487	0.8
119.05049	1.2
120.04590	0.3
121.02971	1.0
122.03790	0.5
123.04539	12.6
124.04860	0.6
125.02457	2.5
133.02974	4.3
134.03725	1.2
135.00935	0.6
135.04637	1.5
137.02463	0.9
143.03535	0.6
145.02995	1.8
147.04535	3.3
148.05347	0.4
149.02434	0.9
150.03252	0.9
151.04042	6.2
153.01949	1.3
155.03571	0.4
158.13805	0.3
159.04539	1.4
161.02467	6.5
161.04596	0.8
162.03157	1.0
163.03989	1.2
173.02484	0.4
173.02960	0.4
173.04553	4.9
174.03397	0.4
174.04895	1.4
175.03906	0.5
176.01190	0.8
177.01950	26.9
178.02287	1.6
179.03484	0.5
185.06134	0.4
187.03975	1.3
188.04607	0.4
189.01955	54.3
190.02695	12.8
191.03511	11.1
191.05617	6.5
192.03970	0.8
192.05980	3.2
193.06113	3.6
201.01985	0.6
202.02896	0.4
203.03502	6.2
203.10838	0.9
204.11098	0.6
216.00659	7.5
217.01430	37.3
218.01953	3.6
218.64903	0.3
219.02992	12.9
220.03384	1.0
229.08723	0.6
231.02979	11.7
231.10207	0.9
232.03552	1.3
232.10631	1.0
233.04521	1.0
233.10942	0.7
247.02135	0.3
254.08205	5.3
254.49083	0.3
257.08200	0.9
258.08450	0.8
259.08810	1.0
275.09201	1.7
276.09659	2.2
277.09836	3.6
281.04593	0.9
289.07285	1.7
297.07623	0.7
299.05499	1.9
307.17578	2.2
309.23593	0.3
323.05652	1.7
341.06674	100.0
342.06992	11.9
349.18671	0.7
416.13638	0.9
435.04242	0.4
450.28317	0.4
451.10300	32.4
451.15445	2.6
452.10666	5.3
452.16440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19500	0.5
57.03430	0.5
57.24316	0.5
59.01381	3.8
61.98836	10.9
68.85180	0.4
69.46486	2.0
69.46919	2.8
71.01373	0.8
89.02451	0.9
93.03455	1.7
95.05033	1.1
108.02178	0.5
109.02975	24.8
110.03283	0.9
110.35332	0.6
116.92892	0.4
119.04980	1.0
121.02963	0.6
122.03748	0.5
123.04538	9.1
124.04812	0.7
133.02980	3.8
134.03789	0.7
135.04512	1.2
137.02475	0.8
145.03020	1.0
147.04492	1.8
149.02473	1.4
150.03192	0.6
151.04037	5.9
159.04526	0.5
160.04039	1.5
161.02470	7.8
161.03851	0.5
161.04437	1.0
162.03299	3.2
163.04036	2.6
173.04512	0.7
175.03978	0.7
176.01183	1.0
177.01964	26.1
178.02303	1.9
187.04024	2.9
188.04811	1.6
189.01959	36.2
190.02689	10.8
191.03458	5.6
191.05417	1.0
203.03502	3.0
204.22961	0.5
213.05573	0.5
213.09258	0.5
216.00662	6.0
217.01428	20.9
218.01984	2.8
219.02972	6.4
220.03217	1.1
222.01703	0.8
227.07166	1.1
229.08728	1.5
231.02997	6.4
232.03586	1.8
233.04398	0.7
245.08170	0.5
254.05582	0.6
255.06610	0.6
269.08072	0.5
279.06693	0.8
280.62729	0.5
281.04568	6.9
282.05164	1.4
287.05563	0.9
289.07245	2.4
297.07721	4.1
299.05710	6.5
323.05579	1.1
341.06686	100.0
342.07022	11.4
451.10358	23.0
451.15970	2.0
452.10712	4.2
473.69016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79044	0.6
54.96794	0.5
56.25135	0.6
57.03449	12.2
59.01381	21.8
60.01711	1.0
60.99301	3.5
61.98834	45.8
62.98528	0.8
63.40531	0.6
65.03952	0.9
67.01897	11.3
69.03473	2.7
70.91854	1.3
71.01385	7.9
73.02948	2.0
75.00889	3.3
81.03476	3.3
83.01405	1.5
83.05035	2.1
85.02955	6.9
87.00886	16.9
89.02476	1.5
93.03472	77.2
94.03806	3.7
95.01383	0.7
95.05045	1.1
96.96042	1.4
97.02991	0.7
97.06606	2.2
99.00890	2.3
99.04539	9.9
101.02469	7.2
107.05034	0.6
108.02194	2.1
109.02972	31.4
110.03324	1.6
111.00898	0.8
111.04536	11.6
113.02464	2.3
115.04062	0.8
119.03522	0.9
119.05006	1.0
121.03008	1.3
123.04552	10.3
124.04818	0.6
125.02457	4.0
127.04014	1.4
129.01947	2.3
133.02995	4.7
134.03772	4.2
135.04555	15.3
136.04893	1.3
137.02467	7.8
143.03522	0.7
145.03003	1.3
147.04527	2.4
149.02461	1.7
149.06152	0.9
150.03223	1.2
151.00368	0.7
151.04062	5.6
152.01132	1.2
153.01959	1.5
155.03528	6.3
158.03809	0.7
159.04533	2.3
161.02499	9.1
161.04578	1.5
161.06131	1.8
162.03273	5.6
163.04083	5.3
170.56851	0.5
172.05348	1.2
173.04581	83.0
174.04857	6.0
174.06163	0.7
175.03741	0.8
175.05194	3.0
175.07657	0.8
176.01173	1.3
176.04756	1.8
177.01959	36.0
177.09244	3.7
178.02307	2.1
179.03529	1.7
182.63123	0.6
183.42729	0.6
185.06119	0.7
187.04083	5.0
187.07677	8.4
188.04886	2.8
188.08047	3.8
189.01968	31.9
189.05554	1.4
189.07957	0.9
189.09332	1.6
190.02728	13.2
191.03560	2.9
191.05632	44.9
192.05913	4.3
193.06104	2.3
200.04893	0.6
201.05461	0.7
202.06227	1.0
203.03516	1.4
203.06895	0.9
204.07912	1.8
205.08669	2.9
213.05583	0.6
213.09244	1.0
215.10876	3.2
216.00639	6.5
217.01428	11.2
217.05141	1.1
217.08754	1.0
218.02072	2.4
219.03015	6.5
220.03378	0.6
222.01669	1.8
227.03477	0.7
227.07129	2.2
229.08687	3.0
231.03020	3.6
231.06590	1.4
231.10196	1.7
232.03671	1.1
232.07014	2.7
232.10606	1.6
233.07156	2.0
233.11946	5.0
234.12053	0.9
254.05606	0.7
257.04504	1.2
259.09412	0.7
265.05002	0.9
271.02533	0.7
275.09271	3.2
276.09570	2.7
277.10855	15.7
278.11212	1.1
281.04559	9.9
282.05179	1.7
287.05688	3.9
289.07199	2.0
297.07730	5.9
298.08078	0.8
299.05594	19.0
300.02536	0.6
300.05923	1.4
303.21802	1.7
307.17551	2.6
341.06686	83.5
342.07016	11.0
371.97864	0.6
373.15231	0.9
391.15714	0.9
391.23322	2.0
433.14929	1.0
451.10165	21.8
451.15997	100.0
452.10345	3.8
452.16412	14.2
452.22369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11446	0.3
55.73382	0.3
59.01379	0.3
62.84821	0.3
69.03465	1.6
70.43705	1.4
71.01388	0.5
79.01877	0.4
81.03456	0.5
83.01399	0.9
85.02959	0.7
87.00882	0.5
93.03471	33.6
94.03810	1.2
94.80970	0.3
95.01391	1.1
97.02968	1.5
107.01408	0.7
108.02207	0.8
109.03001	1.2
121.03003	0.9
123.00896	6.1
123.04618	0.4
124.01685	18.2
125.02468	30.8
126.02804	1.2
135.04478	0.6
136.01683	0.9
137.02466	52.7
138.02788	2.8
139.04022	0.6
149.02483	0.5
149.99605	30.0
151.00357	2.7
151.04028	0.5
161.02486	1.2
161.80801	0.3
161.82416	0.3
163.04013	0.4
167.03520	1.3
168.00662	67.7
169.01405	8.0
173.04593	0.5
179.03529	0.5
191.05656	0.6
193.01447	0.4
211.02533	0.5
227.03546	5.1
245.34068	0.3
269.06561	0.8
275.09366	0.3
277.09558	0.7
313.05649	16.1
314.05914	1.2
331.06711	33.3
332.07080	3.1
350.58563	0.4
433.07516	0.6
451.08813	100.0
452.09177	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	451.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01381	32.0
60.01734	0.3
61.98833	21.6
67.01894	0.6
68.99836	0.9
69.03476	1.2
71.01390	7.9
71.51897	0.8
72.99321	0.5
73.02960	3.0
76.98550	0.4
78.95934	0.8
81.03462	1.0
83.01398	1.8
85.02959	3.8
86.68314	0.4
87.00912	1.1
88.98817	0.4
89.02464	3.4
90.38610	0.3
91.01922	0.7
92.37134	0.4
93.03481	2.8
95.01395	2.2
96.96046	1.1
96.99299	0.5
97.02995	0.8
98.02532	0.6
99.00905	0.7
99.04559	0.6
101.02453	5.6
101.15546	0.4
107.01447	0.7
108.01102	0.5
108.01581	0.6
108.02193	32.1
109.02978	42.4
110.03324	1.5
111.00990	0.9
111.04523	0.5
113.02473	3.9
116.92882	0.7
119.03519	0.8
119.05032	0.4
121.03004	0.9
123.00911	2.2
123.04544	1.6
124.01682	1.2
125.02458	2.0
133.03008	0.7
135.00909	2.1
135.04552	2.6
136.07707	0.5
137.02473	0.9
139.00433	0.5
143.03540	0.8
149.02492	0.6
151.00389	0.8
151.04060	1.0
152.01181	44.1
153.01962	53.0
154.02321	2.0
155.03596	0.6
159.04488	0.5
161.02510	0.9
161.04581	1.7
163.04024	1.7
165.01979	0.6
167.03537	1.2
171.03049	0.4
171.37576	0.4
173.04565	3.0
175.03998	0.6
177.01958	1.4
179.03497	1.3
179.05617	0.7
187.07700	0.5
187.13458	1.3
191.05620	5.8
192.06093	0.6
195.02975	1.7
203.08272	0.6
221.06700	0.5
225.04039	1.1
227.08275	1.5
237.04123	0.6
245.09462	0.8
276.09637	0.7
277.09811	0.5
281.06589	0.4
297.06143	10.4
298.06458	0.7
313.07990	0.5
315.07214	9.9
316.07584	0.9
319.21426	0.9
331.17627	2.0
349.18677	3.9
353.08841	0.6
363.97464	0.5
391.19705	6.4
392.19879	0.7
407.09814	11.7
408.10217	1.2
433.07629	1.0
450.61917	0.7
451.08798	100.0
452.09183	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	451.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97032	0.2
59.01382	1.4
69.03497	0.3
70.86298	0.6
71.01383	0.9
78.95918	1.1
79.95752	1.9
83.05054	0.4
85.02962	5.0
87.00896	1.2
89.60574	0.2
93.03471	2.4
96.96025	82.4
97.02921	0.3
97.93156	0.5
97.95952	0.3
98.95603	0.3
99.92600	1.2
101.02521	0.2
104.24242	0.2
109.02979	0.5
111.00900	0.3
111.04549	1.1
113.92641	0.8
115.92103	1.5
116.92863	1.8
125.02444	0.4
127.04028	1.4
128.33226	0.2
133.02968	1.8
134.03737	1.0
135.04536	2.1
137.02446	0.7
139.04048	0.2
155.03587	0.3
160.04063	0.9
161.02461	2.2
163.03928	0.3
166.13788	0.2
171.03011	0.4
173.04604	2.6
177.01903	0.3
178.02734	0.9
179.03543	1.9
185.40601	0.3
191.05629	100.0
192.05974	4.8
215.95215	0.5
216.98080	0.5
232.95410	0.4
260.97189	1.3
262.96576	0.5
278.96027	0.5
289.07159	0.6
306.07391	1.0
353.08801	20.2
354.09076	2.4
389.01340	0.4
407.00574	0.4
429.74319	0.2
451.32028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
58.02965	0.3
59.01381	1.1
61.98829	0.6
65.67019	0.1
67.01913	0.2
69.03459	0.5
69.82089	0.9
71.01390	0.9
73.02947	0.3
80.05062	0.3
81.03464	7.7
83.01400	0.2
83.05034	20.8
84.05405	0.3
85.02946	0.8
87.00900	0.6
93.03473	2.7
94.03822	0.3
95.01412	0.4
95.05050	0.1
97.02962	0.3
99.04509	0.2
100.07689	0.2
101.02453	0.4
107.01405	0.2
107.06155	0.6
108.02193	0.4
108.04552	0.7
109.02974	1.9
110.03376	0.1
111.04524	0.5
111.32326	0.1
113.02474	0.4
117.58055	0.1
121.02979	0.3
123.00896	1.4
123.04543	0.8
124.01691	3.3
124.91264	0.1
125.02470	6.9
125.07222	2.6
126.02795	0.3
126.05644	0.2
127.03964	0.1
129.02031	0.1
133.02962	0.3
135.04573	0.6
136.01691	0.1
137.02472	3.6
138.02751	0.1
138.90515	0.1
143.08289	1.4
147.04518	0.4
149.02415	0.2
149.99606	5.8
151.00446	0.7
151.04019	0.7
152.01199	0.2
153.01901	0.3
155.03552	0.3
157.13457	0.1
159.04482	0.4
160.04930	0.1
161.02469	0.6
163.04028	0.2
167.03485	0.4
168.00658	10.6
169.01309	1.1
172.05319	0.3
173.04564	1.5
173.06006	0.5
174.04901	0.6
174.06390	0.2
175.05049	0.3
177.01970	1.5
179.03488	0.4
187.04059	0.2
187.07669	2.2
188.07996	1.3
189.01944	3.6
189.08107	0.7
190.02788	0.7
191.03540	0.7
191.05638	3.5
192.05997	1.9
193.06087	2.4
201.05469	0.3
202.06319	0.6
203.03467	0.5
203.06696	0.6
204.07027	0.4
207.15057	2.9
207.16940	0.3
208.13463	0.2
213.09195	0.5
214.09531	0.5
215.07152	0.5
215.09924	0.2
216.00591	0.3
216.07468	0.4
217.01434	2.7
217.07779	0.3
218.01942	0.3
219.02998	1.1
224.06879	0.8
224.17697	3.9
224.57088	0.4
225.16084	12.4
226.16339	0.4
229.08669	0.2
230.09081	0.2
231.02924	0.8
231.10391	1.1
232.07027	0.2
232.10576	0.8
233.10754	0.7
239.80591	0.1
242.18782	1.3
250.15666	0.3
257.08206	0.3
258.08566	0.3
259.08774	0.5
268.16718	0.4
275.09286	1.3
276.09634	1.3
277.09909	2.0
281.06879	0.7
289.07532	0.2
290.22299	0.2
292.20435	0.1
294.85666	0.1
306.21811	0.2
307.23981	0.3
309.21802	0.5
313.05768	0.5
323.05676	0.2
324.26645	1.6
331.06693	1.7
333.22964	3.9
339.27603	0.2
341.06653	7.4
342.06830	0.7
351.23978	1.0
367.27170	1.0
373.14929	0.2
385.28348	0.3
391.15952	0.2
406.30801	0.2
433.08109	0.4
433.31842	6.3
434.32178	0.4
451.08936	18.6
451.32883	100.0
452.09259	2.8
452.33173	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	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01381	5.7
59.59017	0.1
60.01718	0.8
61.01825	0.9
61.98832	100.0
66.15697	0.1
69.72115	1.1
71.01396	0.9
73.01838	0.2
81.03451	0.2
83.01373	0.2
84.95150	0.2
85.02957	0.7
87.00895	0.3
87.37258	0.2
89.02465	0.9
89.09938	0.1
91.02892	0.2
93.03474	1.0
96.96026	3.2
98.20601	0.3
99.04562	0.2
101.02460	0.6
102.02830	0.1
105.84262	0.1
108.02225	0.2
109.02969	1.5
111.04535	0.2
113.02498	0.3
115.92213	0.2
119.03538	0.3
121.02979	0.4
123.04530	0.4
125.02488	0.4
127.04044	0.2
133.03033	0.4
135.04553	0.5
137.02490	0.2
151.04062	0.7
152.03549	4.1
152.07211	1.6
153.03922	0.3
161.02477	0.5
161.04607	0.2
165.02011	0.3
173.04597	1.2
179.03569	0.1
179.05602	0.3
180.05856	0.1
191.05635	4.7
192.05978	0.2
198.12372	0.1
200.62720	0.1
288.08807	1.8
289.06949	0.3
314.08804	1.1
353.08685	0.7
434.10095	0.2
450.10901	0.2
451.10147	0.3
451.17654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.9223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00121	0.2
59.01383	100.0
60.01718	1.4
65.14570	0.2
71.01379	1.1
71.68851	0.4
72.99316	0.7
73.02939	0.3
75.00883	0.5
78.95915	26.7
85.02975	2.6
87.00899	0.8
89.02473	0.8
95.01389	0.4
95.55672	0.2
96.96980	2.0
99.00892	0.7
101.02462	0.4
111.00891	0.4
113.02474	3.0
129.01979	1.0
131.03511	0.3
138.99077	0.2
139.00388	0.4
156.99110	70.2
157.99438	1.5
202.94148	0.9
240.91516	0.3
254.96773	1.2
254.99168	0.2
255.97021	0.2
259.02280	1.3
367.08643	0.7
373.05618	0.5
386.06366	0.4
394.25497	0.2
452.08759	7.2
476.14420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02974	0.2
59.01376	0.6
70.56085	0.5
70.56480	0.5
76.45689	0.3
77.46899	0.2
79.95759	1.9
81.89133	0.2
83.05049	0.2
85.02972	1.8
87.00858	0.3
90.95652	0.3
91.36387	0.3
91.56979	0.3
93.03475	1.2
96.96028	100.0
97.93161	0.5
97.95953	0.4
98.95616	0.7
99.92596	1.0
109.02965	0.4
111.04535	0.7
113.92648	0.6
115.92088	0.9
116.92873	0.6
127.04015	0.7
127.09517	0.3
133.02972	1.2
134.03793	1.4
135.04555	15.1
136.04895	0.8
137.02489	0.3
155.03517	0.5
161.02457	1.4
168.16602	0.3
173.04604	1.3
174.04849	0.3
178.02742	0.6
179.03525	16.0
180.03880	1.0
191.05638	31.9
192.06026	1.4
208.62938	0.3
215.97090	0.3
216.98143	0.8
260.97083	1.5
278.96024	1.0
306.07391	0.4
353.08810	24.9
354.09222	2.8
369.29822	0.3
389.02097	0.6
407.00754	0.3
409.04242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92380	0.2
53.40033	0.2
55.01879	0.3
55.44733	0.3
57.03452	1.0
58.00599	0.4
59.01381	24.4
59.42759	0.3
60.01725	1.1
60.99294	0.2
61.01806	0.6
61.98833	100.0
67.01910	0.6
68.25733	0.3
68.99810	0.4
69.03458	0.8
71.01392	5.0
71.71049	0.3
71.71438	0.4
72.62774	0.3
72.99340	0.5
73.02955	2.1
78.95932	0.3
81.03477	1.0
83.01394	0.9
83.05042	0.4
85.02959	3.4
86.03327	0.4
87.00922	1.5
89.02460	2.1
91.01979	0.3
93.03473	4.6
94.03804	0.9
95.01422	1.1
96.96030	0.5
97.02970	0.4
99.00910	0.6
99.04536	0.4
101.02454	3.2
107.01420	0.3
107.05003	0.2
108.01446	0.6
108.02190	16.3
109.02971	24.5
111.00906	0.7
111.04556	1.3
113.02451	2.6
114.05606	0.3
119.03498	0.8
119.05083	0.5
121.03020	0.5
123.00925	1.0
123.04554	1.0
124.01692	0.4
125.02473	1.7
127.04050	0.4
133.02997	0.9
135.00900	0.8
135.04524	1.7
137.02477	1.2
143.03627	0.6
145.03087	0.3
146.03755	0.3
147.04520	0.4
149.02438	0.4
149.04529	0.4
151.00427	0.7
151.04013	0.8
151.99376	0.4
152.00177	0.4
152.01178	24.5
153.01959	30.2
155.03532	1.1
158.03802	0.8
159.04504	1.9
160.04868	1.2
161.02504	1.2
161.04593	1.1
161.05983	0.3
163.03995	0.9
164.01018	0.2
165.01941	0.6
167.03520	0.7
172.05338	0.3
173.04593	6.8
173.06027	1.3
174.04922	2.5
174.06468	0.8
175.03925	0.3
175.07501	0.7
176.08014	0.5
177.01985	0.4
178.99881	0.4
179.03519	1.4
179.05627	0.6
181.05223	0.3
187.04039	1.0
187.07666	4.0
187.13467	1.0
188.04388	0.5
188.08015	4.3
191.05627	13.6
192.05962	3.9
195.03035	1.1
201.05699	0.7
202.06223	1.3
203.06767	1.0
203.10797	0.6
204.11115	1.1
205.08679	0.3
207.03062	0.3
213.09189	0.5
214.09506	0.9
215.07137	0.5
216.07558	0.5
217.08459	0.3
225.04065	0.3
227.08333	0.7
230.09099	0.4
231.10231	3.0
232.10579	3.8
233.10852	0.5
240.04274	0.4
257.08203	0.4
258.08487	0.6
261.04092	0.3
267.06689	0.3
275.06671	0.2
275.09238	7.8
276.09576	14.6
277.09869	1.4
278.89328	0.3
283.06290	0.4
288.08743	0.7
289.07086	0.3
295.06097	0.8
297.06186	6.0
298.08322	0.5
310.08572	0.4
313.11041	0.5
315.07202	5.6
319.21231	0.8
327.09122	0.4
328.05573	0.3
330.06061	1.2
331.17661	1.2
349.18716	2.6
353.08807	0.4
358.06165	0.3
360.07343	0.7
361.13010	0.6
363.08902	0.4
373.12997	0.6
390.22067	1.8
391.19730	3.9
407.09863	7.5
412.99405	0.3
433.07709	0.8
450.08813	1.5
450.15771	2.9
450.61917	0.6
451.08817	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56606	0.6
57.03434	1.9
59.01385	7.1
61.98843	3.8
67.01891	1.3
69.03464	1.7
69.45281	5.6
69.45672	1.1
71.01396	3.4
73.02929	0.6
76.73804	0.7
77.41470	0.6
81.03471	1.3
82.05108	0.6
83.05042	1.3
85.02964	9.3
87.00884	7.6
90.65563	0.6
93.03471	10.2
99.00883	0.9
99.04531	1.9
101.02446	0.9
104.94062	0.6
109.02966	2.9
111.04529	3.3
114.09743	0.6
127.04031	2.8
137.02467	1.5
146.03784	0.8
147.04547	0.8
149.06091	2.4
151.07614	0.7
155.03542	4.0
156.83427	0.7
158.03741	0.8
159.04541	4.5
161.04535	0.7
161.09793	0.6
172.05322	6.6
173.04570	15.8
173.06099	7.6
174.06787	0.7
175.07605	1.0
182.03691	0.7
183.04538	1.8
184.05362	0.8
187.04144	4.3
187.07664	53.1
188.08081	4.3
191.05632	100.0
192.06023	3.8
198.06857	0.9
199.04039	1.5
200.04764	2.8
201.05591	9.3
201.09247	1.4
202.06374	17.7
203.06700	1.6
203.10788	2.6
204.04286	0.8
213.09227	14.4
214.09625	0.9
215.07127	17.1
216.07721	3.3
227.03577	1.0
228.04245	1.7
229.08693	7.7
230.09386	1.0
231.06764	6.6
231.10266	32.5
232.03696	0.9
232.10617	2.4
242.12558	0.7
257.08197	12.7
258.08450	1.4
275.09244	70.9
276.09573	6.1
405.11951	1.3
449.14658	14.1
449.20242	0.9
450.14932	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	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30524	0.3
54.25957	0.2
57.03456	3.3
59.01381	9.0
60.01716	0.7
60.99311	0.8
61.98833	100.0
67.01882	2.4
69.03462	0.7
69.46365	0.3
69.46765	2.4
69.95098	0.3
70.91653	0.3
71.01391	2.8
72.99314	0.3
73.02966	0.7
75.00883	0.5
81.03471	0.5
83.01414	0.7
83.05024	0.4
85.02959	3.2
86.03283	0.4
87.00885	2.9
88.98821	0.4
89.02426	0.6
93.03470	16.0
94.03812	1.6
95.01382	0.4
96.96019	0.7
97.02930	0.3
97.06593	0.4
99.00926	0.4
99.04539	3.0
101.02472	1.8
109.02972	11.8
110.03298	0.3
111.00936	0.4
111.04533	3.0
113.02457	0.7
119.05084	0.4
121.03018	0.4
122.03799	0.3
123.04537	3.7
125.02505	1.5
127.04057	1.0
129.02026	0.3
133.03015	1.9
134.03769	1.3
135.04535	3.1
137.02496	2.4
138.02779	0.3
145.02953	0.5
147.04572	0.6
149.02469	0.4
151.00414	0.5
151.04019	2.0
152.01031	0.3
153.01907	0.4
155.03549	1.9
156.03917	0.4
158.03767	0.5
159.04530	1.0
161.02480	2.9
161.04593	0.4
161.06065	0.4
162.03279	1.5
163.04048	1.6
165.01939	0.3
165.41432	0.3
169.44199	0.3
172.05307	0.8
173.04576	22.3
173.05785	1.4
174.04918	5.9
174.06409	0.7
175.05186	0.4
175.07465	0.4
176.01205	0.3
177.01953	10.6
177.09283	0.7
179.03619	0.6
184.05162	0.3
187.04211	1.4
187.07664	9.7
188.04662	1.3
188.08008	10.0
189.01967	8.8
189.05649	0.6
189.08163	0.4
189.40208	0.3
190.02744	3.0
191.03720	0.9
191.05637	15.8
192.05981	4.6
193.06123	0.6
200.04790	0.4
201.05588	0.9
202.06361	2.0
203.03645	0.5
203.06674	1.8
204.71814	0.3
211.08214	0.3
213.09286	0.9
214.09671	1.4
215.07169	0.6
215.10826	0.6
216.00641	2.2
216.07568	0.9
217.01465	3.0
217.05118	0.5
218.02164	0.5
219.02939	1.6
222.01744	0.4
227.03596	1.0
227.07196	0.5
228.03786	2.3
229.04155	1.0
229.08771	1.2
230.04335	0.9
230.09036	0.8
231.03044	0.9
231.06618	4.4
231.10254	3.5
232.07028	6.0
232.10580	6.1
233.07085	0.5
233.11893	1.0
243.02707	0.4
244.03519	0.4
255.03174	0.5
255.06494	0.3
256.03366	1.6
257.03922	1.0
257.08157	1.5
258.04016	1.4
258.08551	2.6
271.02271	0.6
272.03009	1.2
273.03647	0.9
275.09250	6.9
276.09586	11.4
277.10785	2.7
281.04556	2.8
282.05402	0.4
284.03516	0.5
285.03537	1.3
286.04056	1.2
287.04468	1.4
288.04797	0.4
288.09006	0.3
289.07281	0.8
297.07959	1.3
299.02063	0.7
299.05579	4.8
300.02362	1.7
307.17740	0.9
317.02814	0.4
323.05731	0.4
339.05106	0.5
341.06689	22.6
373.15219	0.5
391.23630	0.5
450.09238	5.2
450.15250	1.9
450.28369	0.5
451.10242	6.0
451.16263	15.1
452.23294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01386	4.1
61.98822	2.4
67.01894	4.8
68.15708	0.5
69.03469	1.9
70.27603	2.5
71.01384	4.0
81.03461	1.9
83.05050	1.9
85.02966	9.2
86.06519	0.6
87.00893	4.4
92.85331	0.5
93.03470	31.0
94.03825	0.8
95.01393	0.6
99.04552	0.9
109.02965	2.6
111.00902	1.5
111.04545	6.3
111.85781	0.5
113.02445	0.8
114.35202	0.5
116.24229	0.5
123.04460	0.8
127.04054	1.9
133.02986	1.2
134.03723	1.3
135.04497	1.0
137.02464	6.0
143.03464	0.6
146.03748	1.0
149.06136	1.5
149.07979	0.6
155.03545	7.2
158.03806	1.7
159.04532	3.5
159.08192	1.0
161.02415	0.7
161.06087	0.6
167.08737	0.6
172.05334	13.9
173.04579	84.6
173.06003	5.0
174.04900	4.2
174.06642	1.4
175.04018	0.9
175.79205	0.6
177.01952	0.7
179.19687	0.6
183.04517	1.0
185.06114	0.7
187.04179	5.1
187.07664	100.0
188.08012	7.2
191.05629	46.0
192.05948	2.2
197.06108	1.0
198.06848	0.7
199.03888	0.6
200.04861	2.2
201.05586	8.0
201.09300	1.2
202.06360	12.3
203.06830	1.5
203.10837	1.3
204.04256	1.7
211.07684	0.9
213.09232	13.5
213.86299	0.6
214.09575	1.6
215.07121	7.2
216.07922	1.0
227.03531	1.4
228.04318	1.3
229.08696	5.1
230.09215	0.9
231.06619	53.6
231.10257	41.5
232.03697	0.7
232.06970	4.2
232.10555	3.8
245.88469	0.6
247.09756	0.7
255.02779	0.7
257.08185	15.4
258.08521	1.7
259.87689	0.5
271.02466	0.8
272.03244	0.7
275.09253	78.7
276.09589	8.5
285.03934	0.9
286.03952	0.8
299.01938	1.2
309.18039	0.7
332.22864	0.6
405.11795	2.5
449.08441	4.7
449.14542	9.0
450.08926	0.8
450.14886	1.1
463.64102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37627	0.3
57.03440	1.5
59.01377	3.4
61.98831	0.6
64.65955	0.4
65.00313	1.6
67.01886	0.7
69.60736	2.2
69.61148	0.6
71.01380	1.4
73.02953	0.5
81.03456	0.4
83.01416	0.7
83.05003	0.5
85.02959	8.7
87.00896	2.9
89.29921	0.4
93.03474	5.5
99.04549	1.0
101.02444	0.3
107.01383	2.4
108.02251	0.3
109.02951	1.3
111.04573	1.6
117.03501	0.4
123.04531	1.2
123.05436	0.3
124.01694	0.4
125.02469	3.3
127.04057	2.5
135.04555	0.5
137.02449	0.7
142.61244	0.3
146.03815	0.5
150.03322	1.9
151.00394	12.5
151.03999	2.5
152.01204	1.9
153.02013	0.5
155.03481	0.8
158.03891	0.3
159.04510	0.9
161.02396	0.4
171.02928	0.7
172.05319	2.0
173.04584	6.8
173.06081	1.2
174.03163	0.4
174.06795	0.7
175.04013	0.3
177.01964	0.7
178.99886	2.1
183.04510	0.8
187.04024	1.0
187.07660	14.1
188.08011	1.3
189.05620	0.4
191.05626	100.0
192.05965	4.0
199.03999	1.1
200.04755	1.1
201.05615	1.2
202.06345	3.3
203.06979	0.4
203.10797	0.5
206.99460	0.3
213.09247	3.9
214.09700	0.3
215.07127	4.2
216.04390	0.4
216.07751	0.3
227.03490	1.3
228.04272	0.9
229.08591	1.5
231.06796	1.5
231.10258	7.9
232.10637	0.7
241.05046	0.4
257.08182	11.6
258.08472	1.0
275.09238	11.5
276.09637	1.2
285.04059	6.2
286.04285	0.5
297.09802	0.6
297.43259	0.3
299.02054	0.7
303.05060	3.1
449.06540	0.7
449.15442	3.0
450.14954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18338	0.4
59.01381	2.4
67.01881	0.9
69.03455	1.5
69.03819	0.4
70.99287	0.8
71.01376	1.3
73.02937	0.6
81.03457	0.5
83.05019	0.8
85.02965	9.0
87.00882	7.6
93.03471	7.0
99.04511	0.5
109.02982	2.2
111.04534	3.6
120.72110	0.4
127.04050	3.0
128.67223	0.4
129.01945	0.8
137.02487	0.7
146.03720	1.6
149.06088	2.1
150.06433	0.5
151.07663	0.5
155.03529	3.9
158.03728	1.6
159.04530	4.6
159.08139	0.6
160.05063	0.4
161.06075	0.5
171.03030	0.5
171.08255	0.4
172.05327	6.8
173.04550	11.8
173.06078	7.3
174.03285	0.7
174.04877	0.7
174.06731	1.4
175.07631	1.0
182.03763	0.6
183.04480	1.8
184.05223	0.9
185.09760	0.9
187.04076	6.1
187.07664	49.1
188.08025	4.1
191.05629	100.0
192.05956	4.5
192.43123	0.4
195.08188	0.5
197.06039	0.6
198.06847	0.8
199.04015	1.3
199.07564	0.5
200.04790	3.5
201.05574	7.9
201.09148	1.4
202.06372	18.9
203.06714	1.5
203.10779	2.4
204.04181	0.9
211.07677	0.9
212.08446	0.6
213.09224	14.1
214.09608	1.1
215.07120	16.5
216.07718	3.0
227.03537	1.3
228.04195	1.1
229.08688	7.2
230.09097	1.3
231.06757	8.0
231.10260	31.7
232.03831	0.5
232.07007	0.7
232.10640	2.9
247.09750	0.9
250.01656	0.4
255.17863	0.4
257.08185	13.1
258.08511	1.2
275.09241	59.1
275.62854	0.4
276.09564	6.7
281.73196	0.4
378.38644	0.4
388.16876	0.4
405.11841	0.9
449.14557	14.3
450.15009	2.2
465.64267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
57.48103	0.4
58.00599	0.5
59.01385	3.0
60.99295	0.6
61.98831	1.1
62.21719	0.5
66.22077	0.4
67.01896	5.7
69.03461	1.6
70.86390	0.8
70.86764	0.8
71.01396	3.0
73.02946	0.6
81.03469	1.2
83.05041	1.8
85.02962	3.2
87.00881	3.6
89.02462	0.4
89.03984	1.7
93.03470	36.3
94.03823	1.2
97.06619	1.0
99.04557	0.6
105.03471	1.7
106.79643	0.4
108.02235	0.8
109.02958	1.8
111.00912	1.3
111.04537	7.9
113.02487	1.0
117.03478	5.5
121.02975	1.9
123.57050	0.4
124.01686	1.4
125.02492	0.8
127.04038	1.3
127.28786	0.4
129.01959	0.6
132.02180	1.2
133.02977	15.1
134.03764	31.0
134.64502	0.5
135.04570	24.9
136.04909	0.8
137.02469	11.6
138.02852	0.8
138.03880	0.4
139.04057	3.5
149.02419	0.5
150.03247	1.5
151.04030	3.1
155.03537	6.1
157.15175	0.4
160.01682	3.5
161.02428	1.0
162.03249	3.0
173.04573	100.0
174.04892	5.3
175.35207	0.4
177.01942	9.5
178.02736	17.5
179.03494	5.4
180.04150	0.8
187.07645	0.8
191.05632	40.3
192.06001	1.7
199.30899	0.5
213.09183	0.8
222.15178	0.4
231.10242	2.7
257.08179	2.7
275.09247	31.6
276.09583	3.6
287.22400	0.5
307.08282	1.3
308.09039	5.8
309.09357	0.6
309.87347	0.5
310.29147	0.5
351.07312	2.5
352.08008	11.3
353.08215	1.0
449.14572	11.8
449.27634	3.0
450.14758	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	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03447	2.6
58.00597	0.4
59.01382	61.9
60.01718	0.7
61.98831	7.2
63.02399	3.0
65.00319	3.8
65.43614	0.4
67.01894	0.8
70.73354	1.2
71.01389	10.2
72.99332	0.5
73.02956	2.6
78.92559	0.4
81.03465	0.9
83.01391	4.5
83.05050	0.4
83.40457	0.3
85.02958	4.4
87.00880	1.8
89.02460	6.3
93.03468	6.4
94.03796	0.4
95.01427	0.7
99.00917	0.9
99.04545	1.5
101.02454	8.1
107.01404	6.3
109.02961	1.5
111.00925	0.7
111.04541	1.4
113.02456	3.3
117.03468	3.2
119.03503	2.6
119.05098	0.6
121.02947	0.5
123.04536	0.8
124.01641	1.6
125.02474	5.1
129.01974	0.7
129.05617	0.9
133.02969	1.0
134.03752	0.7
135.04556	2.0
137.02463	1.5
137.52629	0.3
143.03517	0.7
149.02501	0.6
151.00394	16.4
151.03882	0.4
152.01180	8.7
152.03134	0.4
155.03505	1.3
155.04849	0.5
158.03719	0.7
159.03229	0.6
159.04539	2.5
161.02510	0.5
161.04576	3.3
165.01965	0.6
169.01443	1.5
169.06609	1.1
172.05318	1.1
173.04587	13.5
173.06056	1.5
174.04910	0.6
174.06741	0.4
175.07709	0.6
177.01900	0.5
178.99881	5.0
179.05634	0.9
180.00426	0.4
180.05753	0.5
181.06573	1.2
187.03990	0.9
187.07693	4.7
191.05630	15.9
191.07362	0.8
192.05899	0.9
196.05225	0.7
197.06093	1.0
200.04849	0.4
201.05595	1.1
202.06308	2.0
203.10684	0.5
213.05609	0.5
213.09184	1.4
215.07068	1.5
225.05554	3.9
227.03572	0.6
227.07224	0.8
229.08690	0.7
231.10274	5.6
232.10730	0.5
241.05086	0.8
242.05568	0.4
243.06631	1.7
254.08115	0.4
257.08252	1.9
259.06097	1.6
269.04544	100.0
270.02133	0.7
270.04889	10.6
275.06424	0.7
275.09250	9.9
276.09695	0.9
281.06458	0.5
282.07095	0.4
287.05429	1.3
305.12454	1.7
341.07126	0.4
347.13354	1.0
389.21826	22.4
390.22162	2.9
396.24963	0.4
405.12033	0.4
449.10651	24.5
450.10907	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	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.4
59.01383	13.9
59.13094	0.2
60.01727	0.8
60.99307	0.3
61.98835	100.0
62.98555	0.2
65.00326	0.2
65.72614	0.2
67.01887	1.1
69.03452	0.5
69.43583	0.2
71.01398	3.0
71.69611	0.2
72.01758	0.3
72.99314	0.4
73.02955	0.5
81.03473	0.3
83.01422	0.7
83.05061	0.5
85.02963	2.3
87.00887	1.3
89.02467	2.3
90.60890	0.2
93.03475	7.1
95.01414	0.4
95.90909	0.2
99.00880	0.2
99.04539	2.3
101.02453	2.0
102.98592	0.3
108.02201	0.3
109.02985	2.5
111.04540	1.4
113.02473	1.1
119.03542	0.9
121.03027	0.3
123.04550	0.3
125.02477	1.3
129.02023	0.2
131.03490	0.2
133.02979	0.4
135.04547	2.1
137.02489	1.1
146.03735	0.3
151.00403	1.0
152.03554	10.8
153.03929	0.4
155.03503	1.3
159.04492	1.5
161.02585	0.3
161.04591	0.9
167.03625	0.4
172.05367	0.6
173.04593	17.5
173.06067	1.4
174.06931	0.7
175.07681	0.4
177.02023	0.5
178.44719	0.2
179.03525	0.5
179.05652	1.2
180.05994	0.3
183.04517	0.2
187.04097	0.9
187.07674	5.8
191.05632	18.0
193.01477	1.7
200.04865	0.3
201.05565	1.1
201.09358	0.4
202.06409	3.2
203.07327	0.2
203.10878	0.9
213.09259	2.3
215.07143	1.8
216.07999	0.6
229.08774	0.7
230.09300	0.3
230.23466	0.2
231.06693	1.0
231.10260	7.3
256.03378	0.4
256.06992	0.3
257.08209	2.2
259.02527	0.4
271.02460	0.4
272.03006	0.6
275.09250	10.0
286.10834	0.4
300.02847	0.6
301.03241	1.4
302.03986	0.8
305.16208	0.4
314.08810	1.7
329.06714	1.9
354.31665	0.2
359.07947	0.4
388.20837	0.8
397.89786	0.2
411.16757	0.4
439.69858	0.2
448.09433	1.5
449.14957	4.2
449.20505	0.5
449.27911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.3
61.98827	1.4
67.01891	0.5
68.05047	1.4
69.03465	0.6
71.05037	0.4
80.02703	0.5
80.05068	0.9
80.96529	0.4
81.03477	0.6
81.77811	0.3
83.05038	0.4
93.03487	0.5
94.02998	0.7
95.05048	0.5
96.08196	2.3
96.96027	0.7
97.06634	0.4
107.05046	0.5
109.87625	0.3
114.95293	0.4
121.02974	0.3
122.06129	2.6
141.12819	0.3
151.11316	0.9
153.12883	4.0
169.16002	7.7
171.13942	1.6
179.14461	0.5
181.16049	0.7
191.02380	0.3
195.17546	7.3
196.17964	0.7
198.18637	0.6
205.15959	1.1
207.17558	15.9
208.17856	1.4
209.17067	0.4
209.17505	0.2
209.19116	12.5
210.19484	0.9
220.17075	0.9
222.18646	14.5
223.18988	1.4
232.20673	2.3
233.19075	0.5
234.16354	0.5
234.18558	3.9
235.18929	0.4
247.17072	1.7
247.19301	0.3
248.20303	0.3
250.21764	14.2
251.22061	1.1
279.27054	0.4
281.28497	6.5
282.28787	0.9
300.30008	0.3
307.30078	1.1
349.31149	1.0
359.29529	3.0
361.31165	8.3
362.31476	0.9
363.32703	1.7
364.32718	0.4
371.71252	0.3
374.30505	0.6
375.15506	0.3
386.34344	2.0
404.35373	100.0
405.35721	17.1
448.27463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21480	0.5
59.01381	5.0
61.98835	100.0
65.82606	0.5
71.70300	0.9
74.51029	0.5
78.65884	0.6
78.95913	10.6
82.94464	0.6
93.03477	1.0
96.36671	0.5
108.02210	1.0
109.02991	1.0
114.05614	0.9
121.02979	1.2
152.99658	2.6
165.16026	0.6
173.00963	0.9
173.04471	0.9
191.05609	0.7
195.17490	0.8
221.08258	0.9
223.17023	1.0
229.61978	0.6
231.81157	0.7
251.16649	1.0
256.03262	1.1
269.79352	0.5
271.02637	0.8
272.02908	1.6
279.16141	1.6
300.02798	1.9
301.03268	5.2
302.03870	3.5
303.04382	0.6
307.15503	12.7
307.18839	1.0
308.15958	1.6
448.09604	5.6
449.09613	1.2
449.18256	1.1
449.23447	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	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	2.3
59.01385	10.9
60.01714	0.6
61.98834	100.0
67.01890	0.8
69.03460	0.5
71.01396	2.9
72.01736	0.3
73.02971	0.6
83.01400	0.5
83.05034	0.4
85.02973	2.1
87.00894	1.5
89.02444	2.0
93.03469	6.3
95.01357	0.4
99.04530	2.1
101.02458	2.0
109.02983	2.6
111.04546	1.5
111.06741	0.3
113.02476	0.9
114.02789	0.3
119.03515	0.7
121.03049	0.3
125.02473	1.0
127.04043	0.4
133.02936	0.3
135.04524	2.0
137.02481	1.1
143.03455	0.3
149.02435	0.3
151.00415	0.7
152.03560	9.0
153.03914	0.5
155.03531	1.4
159.04587	1.2
161.02522	0.5
161.04555	1.2
162.04922	0.4
163.00446	0.3
165.01909	0.3
172.05322	0.7
173.04594	15.7
173.06099	1.4
174.06911	0.7
175.07642	0.7
177.02037	0.5
179.05673	0.9
180.05920	0.3
187.04045	1.0
187.07669	5.5
191.05637	18.2
193.01462	0.9
193.60188	0.3
199.03915	0.3
200.04832	0.6
201.05655	1.0
202.06375	2.8
203.07059	0.3
203.10870	1.2
205.12329	0.3
211.07645	0.3
213.09175	1.8
215.07124	2.3
216.08095	0.5
229.08745	0.6
230.09032	0.3
231.06668	0.9
231.10258	6.5
255.03146	0.2
256.03479	0.3
256.07013	0.3
257.08215	2.3
259.02490	0.5
268.04117	0.3
270.05978	0.4
271.02594	0.3
272.02914	0.8
275.09244	9.7
285.04321	0.3
286.07492	0.3
286.10757	0.5
300.02878	0.4
300.40079	0.3
301.03223	1.5
302.03964	0.8
305.16171	0.4
314.08893	1.7
329.06702	1.3
359.07730	0.4
388.20453	0.6
389.21774	0.3
448.09451	1.5
449.14883	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	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08937	0.3
51.69962	0.3
54.48009	0.3
57.03441	0.9
59.01383	33.2
60.01718	3.5
61.98835	100.0
69.88877	1.5
69.89301	0.8
71.01392	1.7
72.01756	0.4
75.62756	0.4
83.01421	0.4
85.02978	0.6
86.11802	0.3
89.02457	0.9
101.02480	0.8
107.01395	0.6
108.87838	0.3
113.02451	0.8
119.03530	0.7
123.08178	0.5
125.02467	6.7
131.46799	0.4
148.48436	0.3
149.02531	0.6
151.00389	2.0
153.02046	0.5
159.04622	0.6
161.04594	1.6
162.04964	0.8
173.04605	0.4
173.06097	0.5
178.99927	0.8
179.03606	0.3
179.05669	0.6
187.07735	0.6
191.05609	0.5
198.11026	0.3
207.13968	0.8
208.14291	1.1
215.07059	0.4
259.06134	4.4
269.04547	4.5
275.09244	2.2
287.05569	3.6
387.19913	0.4
388.20425	1.4
448.08060	0.4
448.23029	0.5
449.10803	4.9
458.18512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95264	0.3
58.00603	0.5
59.01382	100.0
59.09684	0.3
60.01728	1.3
63.17978	0.3
71.01391	8.2
71.19628	0.4
71.19939	0.4
71.73069	0.3
72.99312	0.5
85.02991	1.2
87.00908	0.3
89.02457	14.5
90.02773	0.3
90.36755	0.3
95.01405	0.3
101.02465	3.7
113.02461	4.0
119.03522	6.3
119.04316	0.5
120.03910	0.3
131.03595	1.0
143.02556	0.4
143.03479	1.5
149.04570	0.6
161.04590	2.4
172.49910	0.3
179.05637	13.0
180.06085	0.6
447.22449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91964	0.3
57.03431	0.3
59.01382	2.8
61.98835	100.0
62.96416	1.9
69.57079	0.3
71.01372	0.3
75.05430	0.3
78.95922	5.7
80.61494	0.3
80.97478	1.9
83.05062	0.8
85.02983	0.5
85.70547	0.3
88.98846	0.3
93.03476	4.0
109.02977	1.0
111.04542	2.0
122.99283	0.5
123.04545	0.6
133.02983	0.3
135.04581	0.8
137.02484	1.8
149.00110	0.9
149.02397	0.4
151.00404	0.7
151.04045	0.3
152.99666	0.4
155.03554	1.2
157.02951	0.3
159.04549	0.5
160.07648	0.3
161.02478	0.5
173.04591	2.4
183.66013	0.3
191.05646	2.2
203.03578	0.6
205.16078	0.7
229.01393	0.6
253.09604	0.3
256.03406	0.8
271.02652	1.1
272.02792	1.9
277.18182	0.4
300.02802	1.7
301.03220	4.3
302.03848	3.0
303.16046	0.3
355.16785	1.7
385.17987	1.3
447.33282	4.0
448.09552	4.3
448.15048	0.5
448.27710	0.7
448.33578	4.3
449.14944	7.9
449.33850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01914	0.5
57.03454	3.2
58.00579	0.4
59.01381	93.1
60.01714	1.0
61.98837	2.4
65.00334	1.0
69.03471	0.7
69.80524	1.1
69.80927	2.7
71.01387	10.9
72.99306	0.5
73.02954	2.6
75.00865	0.5
79.01910	0.5
83.01413	1.4
85.02972	3.0
87.00896	0.7
88.98821	0.6
89.02448	5.2
93.03484	1.7
95.01424	0.9
99.00912	1.1
99.04542	3.7
100.19535	0.5
101.02459	6.7
105.03493	0.7
107.01368	0.9
107.04989	0.6
108.02184	0.9
109.02968	3.8
113.02470	4.5
119.03505	1.6
121.02120	0.5
121.02966	2.8
121.06718	0.6
123.04546	6.4
123.08156	0.5
123.58880	0.5
125.02458	3.2
133.02025	0.8
133.02974	10.5
134.03755	0.5
135.00931	0.7
135.04523	1.8
137.02478	0.7
137.09760	3.2
143.03534	1.2
145.02803	0.5
147.04512	0.6
149.02414	1.1
149.04552	0.6
150.03197	0.7
151.00381	2.6
151.04024	1.9
152.01099	0.7
155.10785	1.8
159.03056	1.1
159.04492	0.8
161.02466	1.2
161.04570	7.9
163.00363	2.0
163.03984	2.2
164.03516	1.0
165.01956	1.5
173.04521	1.2
175.00282	0.5
175.03967	2.6
176.04138	0.6
177.01953	1.5
178.99855	1.4
179.03683	0.5
179.05556	2.0
185.05945	0.9
189.12785	1.0
191.03801	0.7
191.05650	5.7
193.01357	0.7
196.05226	0.8
197.05898	0.6
198.03250	0.9
199.03989	1.7
201.01913	1.5
203.03450	0.8
207.13847	1.5
211.03989	1.9
211.07661	0.6
212.04716	1.3
213.05487	1.0
223.03893	1.4
224.04680	1.6
225.05479	1.1
225.14943	3.1
226.02666	1.0
226.15436	0.5
227.03502	1.2
227.06967	0.6
228.03966	0.6
229.05011	0.5
229.08632	2.0
239.03476	2.2
240.04251	2.3
241.04904	1.6
243.02925	1.2
243.54695	0.6
251.03496	2.4
252.04109	0.5
253.04944	1.0
255.03070	2.7
255.06479	1.1
257.04443	1.3
267.02954	4.8
268.03741	7.4
269.01428	0.5
269.04324	2.8
270.04965	0.7
271.02472	3.7
272.02643	0.6
273.07474	0.8
279.02777	1.2
281.04373	1.2
282.01715	5.6
283.02338	3.0
284.03180	3.6
285.04010	9.9
286.04218	1.0
286.10831	1.5
293.01047	0.7
295.02484	33.5
296.03210	26.0
297.04004	21.4
298.04791	11.5
299.05573	18.6
300.02628	6.4
300.05960	1.5
301.03549	3.8
309.03964	2.2
310.04327	1.0
311.05533	3.9
312.06009	0.7
321.03369	0.6
322.01105	0.7
323.01978	8.6
324.02414	1.6
325.03494	3.4
327.05099	58.0
328.02042	1.6
328.05518	6.4
337.03217	1.5
338.04102	1.1
339.05142	7.1
340.05310	0.9
341.06439	0.8
357.06149	32.5
358.06479	3.7
366.04672	1.8
366.54898	0.8
369.05847	1.7
373.55908	0.6
381.05438	1.2
387.07181	0.8
387.15747	0.7
387.20267	9.6
388.20297	1.4
399.06778	0.6
403.08194	0.6
411.07602	0.7
429.08240	4.2
430.08362	1.0
447.07382	100.0
448.07620	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	447.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
57.03444	0.3
59.01393	2.2
64.34396	0.3
64.68591	0.3
70.04453	1.8
71.01389	6.1
73.02957	2.6
83.01399	0.6
85.02970	3.7
89.02460	1.4
90.80629	0.3
93.93244	0.3
94.38113	0.3
95.01405	1.0
99.00907	2.9
101.02480	2.5
108.02193	49.0
109.03007	13.5
110.03285	0.7
113.02484	2.6
123.00925	0.7
123.04570	0.6
125.02401	0.4
131.57257	0.3
133.02939	0.5
134.03741	0.4
135.04507	0.8
143.34871	0.3
146.18808	0.3
151.04004	2.0
152.01181	94.0
153.01685	4.7
159.03056	0.5
161.04582	1.6
163.04031	2.8
177.01854	0.5
179.03441	0.4
183.00554	0.3
186.31482	0.4
207.02971	0.5
218.11214	0.3
271.08209	0.9
293.05243	0.4
315.07245	1.5
339.63660	0.3
436.69684	0.3
447.11456	100.0
448.11826	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	447.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
59.44519	0.4
70.45994	1.3
71.01383	5.4
72.99315	0.4
73.02959	2.2
78.95920	0.5
83.01402	0.6
85.02968	2.7
87.00904	0.7
89.02460	1.6
95.01418	1.1
99.00907	3.0
101.02452	3.2
105.01940	5.0
108.02192	44.2
109.02995	13.0
113.02483	2.6
115.00395	0.6
118.98089	0.4
121.02975	0.5
123.00881	0.7
123.04549	0.6
124.01675	0.4
125.02451	0.8
133.01440	1.0
133.02975	0.5
135.04510	2.0
149.99687	0.4
151.04039	1.6
152.01181	88.0
153.01762	4.1
159.03021	0.5
161.04567	1.7
163.04070	3.0
168.00655	0.9
169.01515	0.4
173.04533	0.9
177.01994	0.7
179.03555	1.0
191.05626	1.6
207.03043	0.6
216.99019	0.4
240.03329	0.4
271.08286	0.9
315.07175	1.3
409.05383	1.2
447.11447	100.0
448.11792	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54303	0.3
57.03466	0.5
58.92483	0.3
59.01381	15.9
61.98833	2.0
69.03463	2.2
71.01390	6.3
71.71012	0.3
72.99321	0.4
73.02963	0.6
75.00861	0.3
78.95896	0.4
81.03450	0.7
83.01398	1.2
85.02965	2.1
87.00890	3.1
87.04546	0.4
88.98824	0.4
89.02457	5.9
93.03480	1.2
95.01383	1.5
96.96976	0.3
97.02980	2.2
99.00900	0.4
99.04537	0.3
101.02444	2.0
107.01408	1.1
108.02187	1.1
109.02985	1.8
109.29329	0.3
111.04546	0.4
113.02447	2.2
114.16780	0.3
116.92876	2.6
119.03457	0.6
121.02990	1.0
123.00916	6.1
123.04546	0.6
124.01689	15.4
125.02470	46.7
126.02805	1.9
133.05095	14.5
134.05420	0.4
135.04553	0.6
136.01665	0.7
137.02470	6.5
137.09749	0.3
138.02831	0.4
149.02463	0.7
149.99608	25.5
151.00360	3.2
151.04054	0.9
152.01152	0.9
153.01958	0.4
155.03540	0.3
159.63391	0.3
161.02467	0.4
161.04547	1.8
163.00385	0.4
163.03999	0.4
165.01987	0.4
167.03532	1.5
168.00662	51.3
169.01413	7.5
173.04593	1.1
175.04100	0.3
178.99916	0.3
179.03525	1.3
179.05632	1.1
191.03741	0.5
191.05612	4.8
193.01466	0.3
195.54062	0.3
201.11078	0.3
221.08293	0.3
225.15002	0.9
229.08746	0.5
243.02998	0.6
255.03024	1.1
269.06717	1.0
271.02466	2.2
272.02911	0.6
273.07739	1.1
282.01639	0.3
285.03964	0.5
287.07919	0.4
295.02457	1.1
296.03284	1.1
297.04013	0.3
300.02740	2.8
301.03519	2.0
313.05649	10.4
314.06113	0.8
331.06729	1.0
387.20230	1.9
403.09201	0.5
429.10275	0.8
446.26480	0.4
447.11514	100.0
448.11890	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82033	0.3
56.02099	0.3
59.01374	1.0
60.06622	0.3
61.98820	0.4
63.02401	0.6
64.02784	0.3
65.00337	0.6
83.01415	0.5
85.02976	0.6
93.03484	0.7
98.20740	0.6
107.01412	1.0
107.96643	0.3
109.02914	0.3
117.03519	0.4
125.02490	0.4
133.03009	0.3
145.02943	0.3
151.00377	2.5
153.01942	0.3
157.06580	0.3
159.04489	0.3
163.00377	0.8
169.01511	0.4
169.79984	0.3
173.04593	0.6
174.03253	0.6
175.04106	0.6
178.99863	0.6
182.03749	0.3
183.04492	1.1
185.06123	0.8
187.04085	0.5
191.05644	3.8
199.04080	0.4
211.04091	1.5
213.05472	0.4
227.03506	62.1
228.03850	6.2
229.05089	1.4
229.08704	0.7
239.03346	0.4
241.65794	0.3
255.02983	82.5
256.03531	12.5
257.04498	1.5
271.02490	0.6
273.07590	0.4
274.30872	0.3
283.02417	0.5
283.05832	0.3
284.03262	74.4
285.03928	22.8
286.04343	1.8
299.05637	0.5
300.02893	0.8
301.03546	0.5
327.05057	0.9
328.31650	0.3
447.09329	100.0
448.09610	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
58.00575	0.7
59.01378	100.0
60.01741	1.2
61.98833	9.9
65.00335	0.6
71.01382	10.2
73.02960	1.9
77.03979	0.8
79.01894	0.8
83.01395	0.9
85.02962	2.1
87.00900	0.8
88.36495	0.6
88.98820	1.0
89.02448	10.6
90.02763	0.5
93.03479	2.6
97.02960	0.7
98.20654	1.2
99.04500	1.1
99.92610	0.8
101.02468	5.1
107.01435	0.9
109.02982	3.3
111.04568	1.0
113.02456	4.4
116.92877	13.6
117.92905	1.2
119.03504	4.1
119.05025	0.7
121.02937	2.9
123.04543	2.0
125.02472	2.3
133.02980	16.1
134.03517	0.7
135.00923	0.7
135.04561	3.0
137.02449	1.0
143.03523	1.4
147.04575	1.1
148.01727	0.6
149.02486	1.9
151.00385	3.2
151.04077	1.4
152.01100	0.6
153.09268	0.7
159.04538	0.7
161.02533	2.7
161.04549	6.4
162.01996	2.0
163.00391	3.6
163.02452	0.7
163.04012	2.9
165.01996	3.6
171.04535	1.0
173.04642	1.1
175.04008	3.3
177.01926	1.5
178.01456	1.1
178.99898	1.5
179.01878	0.7
179.03352	0.7
179.05637	5.7
186.45116	0.6
189.12881	1.2
191.03662	1.4
191.05647	2.3
193.01457	0.7
197.05936	0.6
199.04065	2.2
201.01952	2.1
203.03426	0.7
207.13927	1.7
211.04056	1.2
211.07802	0.8
212.04723	0.7
213.05644	1.6
214.06270	0.7
224.04648	0.7
225.05582	1.8
225.15071	0.9
226.02766	0.7
227.03729	1.3
227.07112	0.6
229.05060	1.0
229.08701	1.0
239.05464	0.8
240.04230	1.9
240.06671	0.6
241.05043	1.6
242.05637	0.7
243.03021	2.5
251.03479	1.2
253.05054	2.1
255.02950	4.4
255.06577	1.4
256.03601	1.0
257.04501	0.9
266.04568	2.2
267.02527	0.8
267.04913	2.3
268.03793	2.2
269.04462	1.9
270.05103	1.0
271.02493	8.0
272.03168	0.7
282.01782	1.4
283.02319	0.8
284.02951	5.1
284.06137	3.3
285.03638	13.5
285.06546	2.7
286.04437	1.2
286.10870	1.8
295.02475	9.1
296.03198	7.8
297.01462	0.4
297.04050	24.2
298.04782	16.9
299.05591	29.8
300.02835	13.3
300.05988	2.8
301.03561	8.7
302.03894	0.7
309.04196	1.4
311.05594	6.7
312.06046	0.9
323.01993	1.7
324.02744	1.9
325.03479	2.3
327.05099	86.0
328.01935	1.0
328.05463	10.0
330.03738	1.4
339.05164	9.6
340.05295	1.1
341.06812	1.6
357.06152	49.4
358.06503	6.2
369.06183	2.4
371.07684	1.1
374.31305	0.8
381.05804	0.7
387.07437	0.9
387.20078	3.1
403.08237	0.8
411.07327	1.1
429.08298	7.4
430.08505	1.5
446.26526	1.1
447.09259	75.7
448.09537	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59441	0.4
60.00246	0.3
63.02394	0.6
65.00323	1.2
66.86226	0.4
69.43816	3.9
83.01391	0.8
83.55011	0.4
89.93153	0.3
90.84594	0.3
98.17441	0.3
107.01415	2.1
108.02203	0.9
109.02967	2.4
117.68461	0.4
121.02977	3.3
123.00822	0.4
123.30895	0.3
135.00900	0.8
148.01685	1.3
149.02475	0.6
151.00395	14.3
152.00865	0.4
159.04637	0.3
163.00340	2.7
169.01468	0.6
178.99889	9.0
190.99911	0.5
199.03996	0.4
201.02057	0.4
201.05717	0.4
203.03546	0.4
208.30034	0.3
211.03993	1.2
215.03459	0.6
226.02728	0.9
227.03487	2.6
229.05038	0.9
232.39830	0.4
239.03500	0.9
243.02950	6.3
245.04543	2.0
254.02184	1.6
255.02974	18.5
256.03394	1.7
266.02072	0.5
271.02463	33.8
272.02927	4.6
273.03949	1.4
283.02463	2.4
284.03064	0.4
285.43234	0.4
300.02756	100.0
301.03506	85.7
301.07181	0.9
302.03885	6.5
372.35773	0.4
386.64978	0.4
447.09323	94.2
447.51190	0.4
448.09610	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	446.2709
Annotation	Metachromin R
Peak:m/z	Relative Intensity
51.46643	1.4
59.01390	10.8
61.98826	4.8
71.01398	1.5
71.70809	2.2
77.65544	1.3
86.28625	1.3
87.42244	1.3
89.02448	1.3
96.92768	1.4
98.20451	1.4
111.04551	2.0
126.97694	1.4
142.43857	1.3
151.00404	2.4
193.06657	7.3
200.65968	1.4
221.06094	9.0
221.08212	8.5
222.06876	87.5
223.07234	7.3
224.04817	37.7
225.00755	2.6
225.05138	4.0
225.14972	1.7
237.09222	8.3
238.09863	1.6
243.02986	3.2
254.05867	19.0
255.02977	5.9
255.05898	1.7
271.02512	12.3
273.94647	1.4
277.11139	3.9
300.02786	20.6
301.03571	17.2
314.24255	1.4
378.20590	1.9
431.24670	25.7
432.25049	5.5
446.26959	100.0
447.09390	20.8
447.27475	30.9
447.34457	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72856	0.1
57.55700	0.2
58.98525	0.1
59.01382	9.1
61.98841	1.0
63.02398	1.4
65.00311	1.0
71.47166	0.3
73.02947	0.2
83.01396	1.1
85.02958	0.5
87.00890	0.3
89.02465	0.9
93.03463	0.4
95.01431	0.2
101.02476	1.0
105.03460	0.3
107.01403	2.4
108.02209	1.6
109.02958	0.6
111.00879	0.1
113.02457	0.5
119.03497	0.4
121.02972	0.9
123.04549	1.8
125.02448	0.3
132.02217	0.4
133.02982	3.9
134.03804	1.0
135.04514	0.3
145.05067	0.2
147.03252	0.3
147.04521	0.1
148.01709	0.3
149.02454	1.4
149.99602	0.3
151.00397	5.5
151.02866	0.2
151.11320	0.2
152.00723	0.2
157.02989	0.2
159.03043	0.2
159.04454	0.2
161.02461	0.1
161.04608	0.7
163.00381	0.2
164.03496	0.3
166.05112	0.4
169.01463	0.4
171.04550	0.3
172.05257	0.2
173.04532	0.5
173.05936	0.2
174.03236	0.3
175.04047	1.6
177.01935	0.3
179.05687	0.2
183.04526	0.5
184.05269	0.2
185.06059	0.4
186.03336	0.2
187.04010	0.5
188.04800	0.4
189.05484	0.2
191.03827	0.3
191.05603	1.9
195.04422	0.2
197.06068	0.2
198.03226	0.3
199.04018	1.9
200.04845	0.8
201.01917	0.6
203.03522	0.2
208.06071	0.2
211.04012	0.9
212.04640	0.4
213.01884	0.2
213.05600	0.6
214.02585	0.3
215.03531	0.4
216.04332	0.2
217.05128	0.9
227.03502	1.5
228.04024	0.4
229.05035	0.4
229.08717	1.0
235.08229	0.3
239.03490	0.6
240.04247	0.3
241.05054	0.6
242.02238	0.2
243.02878	0.7
253.07436	0.4
255.02972	1.2
255.06699	0.4
256.03766	4.2
257.04227	0.6
267.02963	0.3
268.09756	0.7
269.04520	0.4
271.02487	0.5
271.08475	0.3
273.07611	0.5
283.02512	0.8
284.03275	58.5
285.04031	100.0
286.04398	9.7
286.10864	1.1
296.03146	0.2
297.04160	0.5
299.05536	0.2
300.02722	1.0
301.03500	0.6
316.22351	0.2
327.05164	1.0
366.54895	0.1
373.05542	0.2
373.55640	0.2
387.20074	1.0
411.16721	0.3
431.18692	0.2
447.09338	74.9
448.09793	11.6
448.15930	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	445.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.0
60.99319	1.9
61.98832	54.8
65.30601	1.0
69.03460	1.2
69.30741	1.0
71.01389	2.1
71.02583	0.9
71.71392	1.6
78.95914	1.6
79.01913	2.4
81.02197	1.6
81.36825	0.9
89.02524	0.9
92.52933	1.0
100.73717	0.9
109.01724	3.0
111.04532	7.9
124.00380	1.0
124.07703	2.9
136.04071	2.5
151.06351	1.9
152.07182	3.8
154.59814	1.0
164.03569	1.1
178.99925	1.6
179.09473	1.3
219.06567	2.5
220.07349	2.7
221.08214	2.1
233.08292	3.9
233.19038	1.0
235.15744	12.9
241.01450	4.2
245.00926	2.4
248.06708	1.1
263.09235	7.3
263.15387	2.3
270.01675	5.5
271.02478	4.6
277.21683	1.2
278.21481	1.4
289.14395	1.6
290.17688	7.8
298.01074	1.2
299.01849	3.8
300.02512	1.6
306.20758	100.0
307.21091	12.0
317.13980	3.1
323.17313	1.7
328.10455	1.7
333.13242	1.2
333.20871	1.4
343.30096	1.7
350.19724	42.9
351.20038	5.1
358.26645	2.0
358.31146	41.5
359.31479	1.7
361.16528	1.5
384.32697	6.2
445.08044	5.5
445.25943	41.0
446.26349	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47935	0.2
55.01884	0.5
57.03450	1.4
58.00593	0.3
59.01382	100.0
60.01725	1.1
61.98830	1.8
63.02401	1.0
65.00342	0.7
67.01886	0.3
68.99840	0.2
71.01391	9.8
72.01723	0.2
72.99326	0.9
73.02946	1.3
75.00886	1.3
79.37109	0.2
83.01405	1.4
84.02220	0.2
85.02964	7.3
87.00878	2.4
89.02459	10.8
93.03470	0.7
95.01405	1.8
98.20634	0.5
99.00898	2.0
99.04541	0.5
101.02462	5.8
103.00379	0.8
107.01409	1.8
111.00909	0.5
111.04558	0.6
111.82528	0.3
113.02470	15.1
114.02812	0.3
115.00365	0.4
116.92830	0.4
117.01992	0.8
117.03493	2.1
119.03529	5.1
119.05099	0.2
124.76309	0.2
125.02497	1.2
129.01962	1.0
131.03534	0.8
135.04533	0.5
138.01976	1.2
138.98532	0.2
139.00426	0.3
139.02345	0.4
143.03537	1.2
149.02435	0.9
149.04578	0.7
151.00385	3.4
153.09247	0.2
158.03737	0.2
159.04529	0.7
161.02484	2.6
161.04564	2.2
161.09779	0.4
163.11313	0.2
173.04572	0.3
175.02545	2.5
175.03952	0.5
176.08469	0.3
177.01836	0.3
178.99902	1.3
179.05647	3.6
180.05884	0.3
181.06709	0.3
183.04579	0.5
186.03270	0.3
187.00337	0.3
187.11299	3.2
189.01935	3.1
190.09880	0.4
191.05545	0.3
194.08983	0.2
197.06168	0.3
199.04114	0.4
201.05591	0.4
204.11519	0.6
205.12334	3.1
206.12740	0.3
209.11902	1.2
214.02742	0.6
214.99884	0.4
216.00591	0.3
223.09784	0.3
223.13403	0.5
225.05540	0.6
227.03513	0.7
229.33482	0.3
233.11815	2.0
234.12096	0.3
241.01404	5.0
242.02185	1.7
243.03038	1.1
245.00906	2.4
255.02953	0.3
259.13382	0.7
263.09216	0.4
269.04544	38.6
270.01697	4.6
270.04892	4.0
271.02435	4.7
272.02869	0.4
277.14426	1.6
295.02463	0.9
296.02982	0.3
298.01135	2.2
299.01959	5.7
300.02484	1.0
311.01965	0.6
311.05426	0.3
313.03671	0.4
341.03052	9.5
342.03442	1.1
362.92679	0.2
385.18723	3.4
386.19211	0.4
417.08224	0.4
445.07758	10.9
445.20758	0.5
445.25906	3.4
446.08127	1.9
446.26306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0781
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
57.03442	0.6
59.01384	0.5
59.11920	0.2
63.02406	2.3
65.00330	3.5
69.50793	1.1
69.51215	1.0
71.01376	0.4
73.02931	0.6
74.83234	0.2
83.01403	3.2
85.02957	0.6
89.02482	0.7
93.03526	0.4
101.02438	0.4
105.03502	0.3
107.00694	0.5
107.01410	7.8
108.01719	0.3
108.99310	0.3
114.54017	0.2
117.03478	0.5
121.02999	0.8
123.04551	0.3
124.01710	0.5
125.02478	6.0
133.02985	1.2
135.04530	0.8
137.02446	0.3
145.03006	1.8
147.04546	1.3
149.02460	0.9
151.00400	26.9
151.52609	0.2
152.01010	1.7
153.01949	0.9
158.95576	0.2
159.00900	0.3
159.04549	0.5
160.01558	0.3
161.02461	6.4
162.03172	1.1
163.00412	1.0
163.04056	4.3
164.01115	0.3
167.05031	0.4
169.01483	2.5
173.02446	1.3
173.06070	0.3
174.03278	0.6
175.04050	2.8
177.01968	0.5
178.99884	15.0
180.00253	1.0
183.04488	0.9
184.55237	0.3
185.02507	0.2
187.00401	1.1
187.04025	0.6
188.01151	0.3
189.01958	3.3
189.05588	0.3
190.02635	0.7
191.03510	3.0
192.00674	1.1
193.01414	1.1
193.04997	0.3
197.06146	0.3
199.04099	0.8
201.01927	0.8
201.05620	0.6
203.03517	2.3
205.01405	0.4
211.03993	1.0
212.04645	0.3
213.02075	0.3
213.05635	0.5
214.02748	0.3
214.99983	0.4
215.03452	0.4
216.04385	0.3
217.01459	0.6
217.05139	0.7
219.02971	0.5
221.04568	0.8
223.03943	0.6
225.02188	0.3
225.05606	0.6
227.03511	2.3
228.04137	0.4
229.01486	0.7
229.04997	0.8
230.02136	0.3
231.02963	0.7
239.03505	1.0
240.04164	0.6
241.01518	0.5
241.05037	1.1
242.02132	0.4
243.03023	1.2
245.00890	0.4
245.04478	0.8
247.02513	1.1
247.06140	0.4
249.05551	0.3
251.03503	1.4
253.05031	0.7
255.02953	1.2
256.03738	0.6
257.04520	0.6
267.03018	2.2
268.03552	0.5
269.04529	2.1
270.01624	0.7
271.02521	1.7
273.03870	0.3
279.03040	1.5
280.03778	0.7
281.04495	0.3
283.02454	0.9
284.03259	0.8
285.04010	1.6
293.04596	0.4
295.02512	8.3
296.02933	2.2
297.00775	0.2
297.04053	7.2
297.07477	0.4
298.01236	1.0
298.04459	1.1
299.01959	1.3
299.05249	0.3
300.02753	1.6
301.03540	3.0
309.04062	1.0
311.01996	2.2
312.02643	0.7
313.03571	6.8
314.03958	0.7
315.05148	0.5
323.01984	10.3
324.02493	1.8
325.03522	0.7
326.03952	0.3
326.97510	0.4
327.01471	7.5
327.04990	0.7
328.01825	1.1
337.03662	0.5
341.03046	21.9
342.03360	2.4
343.04581	0.7
353.03113	0.7
355.04614	2.4
371.04163	0.5
373.05627	1.1
383.04114	0.4
427.06693	0.5
445.07776	100.0
446.08121	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	444.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84929	0.1
57.03449	9.1
58.03781	0.1
59.01380	8.7
61.98833	1.6
65.00319	0.2
71.01385	1.8
73.02957	0.6
73.22006	0.1
75.00872	0.1
81.03478	0.4
83.01403	0.5
85.02959	0.7
85.68386	0.1
87.00893	0.3
88.98808	0.4
89.02458	1.8
92.43737	0.1
93.03507	0.4
95.01424	0.2
99.00911	0.3
99.04530	9.1
100.04870	0.3
101.02457	3.0
102.47861	0.2
102.98618	0.5
107.01385	0.2
108.02187	7.6
109.02444	0.2
109.58725	0.1
111.04520	0.8
113.02460	1.1
116.92856	0.7
117.03543	0.2
119.03531	0.5
121.02985	0.9
122.02491	0.4
123.04588	0.3
124.04066	0.1
125.02467	9.8
126.02848	0.2
135.04573	0.5
137.02473	0.4
138.01991	100.0
139.02344	3.7
139.03404	0.2
143.03502	0.5
145.03038	0.4
151.00394	0.8
151.02783	1.6
151.03952	0.2
152.01196	0.4
152.03517	0.4
160.04089	0.3
161.02470	1.1
161.04552	0.6
166.01480	0.2
167.03500	0.4
168.03799	0.2
173.04543	0.7
175.45522	0.1
176.03998	0.3
178.99887	0.4
179.03502	0.3
179.05612	0.4
180.03056	1.7
187.00374	0.2
189.01973	1.1
189.03516	0.2
191.05630	0.6
199.03946	0.1
203.05531	0.1
204.10887	0.1
204.86165	0.1
205.12344	1.0
209.11864	0.5
214.99963	0.2
219.06625	0.2
222.04269	0.2
223.09711	0.3
233.08224	0.3
241.01402	0.3
245.00972	0.3
255.02873	0.2
263.09158	0.4
264.03061	0.4
265.03250	0.4
266.03622	0.9
269.04547	1.8
270.01645	0.2
271.02487	0.4
283.02551	0.2
295.02466	0.4
299.02036	0.4
305.08853	0.9
317.13916	0.3
341.03030	4.4
385.18811	0.2
400.12430	0.6
429.09610	0.3
443.28540	0.2
443.97183	0.2
444.11929	2.1
444.18417	0.2
444.24500	0.3
445.07446	1.7
445.20038	0.2
445.25885	2.5
460.95163	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
60.28047	0.3
61.76039	0.3
61.98835	100.0
64.66804	0.4
66.93122	0.3
70.38266	0.4
71.01386	0.4
71.70332	0.4
77.13633	0.3
85.02964	0.4
111.04575	1.5
165.25192	0.3
219.06697	0.4
221.08347	0.4
233.08260	0.6
241.01463	1.1
245.00890	0.7
263.09247	1.7
270.01746	1.2
271.02585	1.1
286.76755	0.4
298.01404	0.5
299.02094	1.0
317.13977	0.4
333.13550	0.7
373.19833	0.4
401.24783	0.5
408.43692	0.4
444.29047	0.9
445.07617	2.0
445.26062	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	444.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28829	0.3
52.18147	0.3
57.95826	0.4
61.98835	100.0
69.85683	2.2
87.70535	0.3
111.04542	0.3
128.16566	0.3
157.58627	0.3
171.14011	1.3
353.30777	0.4
373.32162	0.3
381.30139	1.9
385.72824	0.3
399.12140	0.3
444.28564	1.4
445.25861	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88013	0.1
57.03175	0.2
57.03451	3.0
58.00631	0.1
59.01384	3.7
60.01701	0.1
61.98832	2.3
67.01887	2.4
68.41061	0.2
69.84632	0.5
69.85042	0.7
71.01389	2.6
73.02950	0.6
83.01392	0.5
83.05025	0.4
85.02959	1.4
87.00887	10.1
88.01215	0.2
88.98809	1.0
89.02454	1.7
92.46935	0.2
93.03474	1.1
95.01430	0.3
98.19908	0.3
99.00854	0.2
99.04527	1.1
101.02464	1.7
108.02180	1.2
109.02975	1.5
111.00899	100.0
111.04533	0.7
112.01234	3.4
113.02484	0.8
117.03499	0.4
119.03522	0.4
119.05041	0.4
120.35480	0.1
120.40351	0.1
123.04552	0.6
125.02472	0.4
129.01900	0.2
130.99895	0.2
134.03717	0.3
135.04533	2.1
137.02458	0.6
143.03467	0.2
145.02971	1.9
146.03398	0.2
152.01189	1.8
153.01967	1.2
154.01530	0.2
154.99857	0.4
155.03596	0.2
160.01697	0.5
161.02458	0.6
161.04588	0.5
161.06013	0.2
163.04024	0.7
167.03516	2.8
168.03914	0.2
173.00935	10.7
173.04541	1.7
174.01262	0.4
174.04904	0.1
175.03966	0.7
179.03508	0.7
179.05685	0.4
187.07686	0.6
191.05626	3.0
192.05986	0.2
193.05119	0.2
201.05492	0.2
202.06351	0.9
205.05148	0.2
231.10271	1.1
271.02493	0.2
281.13788	0.3
283.23984	0.2
297.07599	0.3
299.11475	0.2
300.02747	0.2
304.06912	0.3
315.07465	0.2
325.07376	0.2
329.08990	0.2
353.06619	0.5
353.09067	0.3
365.06158	0.2
380.16348	0.2
383.07828	0.7
411.16565	3.2
412.16809	0.7
443.11273	4.1
443.24689	0.8
444.11435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03450	90.5
58.00591	1.3
58.03793	1.4
59.01383	100.0
60.01726	1.2
67.01910	0.6
67.75319	0.7
71.01392	37.9
71.40855	1.2
72.99318	1.9
73.02960	7.6
81.03465	1.5
83.01381	5.5
85.02962	8.5
87.00891	1.9
89.02461	27.8
93.03471	1.5
95.01386	1.9
99.00898	2.3
99.04537	74.1
100.04876	1.8
101.02461	46.3
109.02960	1.5
111.00920	2.0
111.04539	1.9
113.02477	12.1
119.03526	13.7
119.05030	1.4
123.04510	2.1
125.02474	34.0
126.02856	1.1
131.03546	1.0
135.04584	1.6
137.02507	0.8
143.03506	5.6
149.04521	1.2
151.00421	1.1
153.01959	8.4
159.03012	1.0
161.02588	0.8
161.04625	6.8
161.05884	1.0
173.04591	2.2
177.01892	1.1
179.03436	1.2
179.05632	1.9
191.05611	2.8
232.81673	0.7
281.10266	7.2
282.10684	1.0
299.11401	40.8
300.11789	4.0
300.57013	0.7
341.12442	10.2
342.12546	0.9
353.98160	0.7
381.15402	2.1
443.15332	7.5
443.23550	3.9
444.16092	0.9
444.24344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.1
57.67375	0.2
59.01385	4.4
60.99313	0.3
61.98838	3.2
65.94876	0.1
67.01900	2.2
70.57299	0.2
70.57630	0.6
71.01391	2.7
72.99345	0.2
73.02946	0.6
78.95902	0.2
79.87454	0.1
82.55380	0.1
83.01394	0.6
83.05029	0.4
85.02962	1.6
87.00887	10.3
88.01217	0.2
88.98820	1.2
89.02461	2.0
93.03474	1.1
95.01426	0.2
96.96047	0.3
96.96989	0.2
99.00888	0.2
99.04533	1.1
99.20876	0.2
100.04867	0.2
101.02450	2.1
108.02192	1.4
109.02997	1.5
111.00903	100.0
112.01246	3.1
113.02440	1.0
117.03460	0.5
118.98088	0.2
119.03536	0.5
119.05038	0.5
123.04577	0.6
125.02499	0.8
127.04018	0.2
133.02977	0.5
134.03722	0.3
135.04533	1.7
137.02463	0.7
137.06097	0.2
138.05623	0.2
143.03537	0.2
145.02959	1.7
151.00369	0.2
151.03999	0.2
152.01173	1.8
153.01978	1.4
154.99831	0.4
155.03505	0.2
160.01711	0.2
161.02449	0.6
161.04593	0.4
163.04088	0.6
167.03502	3.3
168.03839	0.2
173.00940	9.6
173.04568	1.9
173.06015	0.3
174.01288	0.5
174.04869	0.2
175.04001	0.7
179.03529	0.7
179.05621	0.2
187.07652	0.8
191.05627	3.7
192.05952	0.4
201.05588	0.3
202.06398	1.1
222.50699	0.2
231.10234	1.4
249.11221	0.2
263.12909	0.3
272.16614	0.2
274.44174	0.2
281.13855	0.3
297.07611	0.4
300.02917	0.3
304.07050	0.4
315.07217	0.4
353.06271	0.3
353.09314	0.4
355.09772	0.2
380.16711	0.4
383.08194	0.2
411.16586	3.5
412.17075	0.3
434.10721	0.2
443.11328	4.5
443.24448	0.5
443.28946	0.4
444.12067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28268	0.3
57.03451	21.7
59.01384	17.1
61.98835	100.0
64.95470	0.3
69.65643	0.9
69.66068	2.3
71.01380	2.9
73.02961	1.5
83.01402	0.5
85.02959	1.8
87.00890	0.5
87.87689	0.3
89.02475	1.0
93.03489	1.2
96.96935	0.4
99.04536	17.9
100.04893	0.7
100.83675	0.3
101.02464	8.5
108.02167	0.9
109.02991	1.2
111.04575	0.5
113.02480	1.5
119.05046	3.6
120.05370	2.0
125.02470	6.7
125.03305	0.5
133.02983	0.5
135.04576	0.6
137.02478	0.5
143.03555	1.0
149.27075	0.4
152.01213	1.0
153.01941	0.7
161.02498	0.6
161.04602	1.4
163.04051	2.9
164.04388	2.1
173.04608	1.6
179.03549	0.6
191.05679	2.4
196.65103	0.4
235.11856	6.0
236.12213	0.3
277.12943	3.1
299.11395	0.6
315.07346	1.6
317.16135	1.2
326.09738	0.5
379.16113	11.2
379.20883	0.6
380.16650	1.3
443.24051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	16.5
59.01383	16.4
61.98834	100.0
62.98557	0.3
63.33912	0.3
67.01902	0.4
70.91251	0.9
71.01398	3.8
72.08170	0.3
73.02965	1.5
83.01421	0.5
83.05052	0.5
85.02961	2.5
87.00907	1.4
88.98841	0.5
89.02477	1.4
93.03497	1.8
99.00907	0.7
99.04536	18.9
100.04875	0.7
101.02459	7.6
101.06100	0.3
102.02788	0.4
108.02204	2.1
109.02974	1.0
111.00897	7.5
111.04512	0.7
113.02487	1.9
117.03498	0.7
119.03541	0.8
119.05032	0.6
121.03005	0.3
123.04565	0.8
125.02477	5.0
125.54764	0.3
133.03006	0.5
134.17221	0.3
135.04572	1.5
137.02432	1.4
143.03548	0.8
145.02962	1.6
152.01181	2.4
153.01956	0.8
155.03572	0.3
161.02531	0.7
161.04547	1.8
163.04005	0.6
167.03517	3.9
173.00957	0.8
173.04576	2.4
179.03540	0.9
187.07639	0.6
188.10579	0.3
191.05627	4.2
202.06331	0.6
231.10358	0.9
235.11856	5.1
236.12193	0.4
239.57970	0.3
241.05031	0.3
251.86743	0.3
277.12900	2.7
312.07010	0.3
317.16183	1.2
353.07431	0.3
379.16083	12.1
380.16443	1.4
383.09869	0.3
405.03906	0.3
411.16681	3.2
443.11090	1.9
443.24478	0.7
451.41666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45642	0.5
55.01881	1.1
55.78781	0.5
57.03450	100.0
58.00596	1.1
58.03784	1.8
58.95366	0.5
59.01381	82.5
60.01720	1.4
61.98831	2.1
69.03447	0.6
71.01390	15.0
71.44128	0.4
73.02950	4.6
81.03465	1.2
83.01398	3.9
85.02964	7.7
89.02460	5.6
93.03493	0.7
95.01380	1.4
99.00898	2.3
99.04535	80.2
100.04890	2.0
101.02454	29.0
102.02802	0.7
109.02960	0.5
113.02472	7.5
119.03512	2.3
119.05051	0.5
121.02934	1.2
125.02470	22.3
125.06048	0.6
126.02788	0.5
130.10439	0.6
137.02480	0.7
143.03510	1.9
159.02995	1.2
161.04582	6.3
169.04929	0.5
178.76102	0.5
187.29599	0.5
191.05627	0.7
250.06844	0.5
264.02863	0.9
277.03723	0.9
278.03949	1.2
297.13440	21.0
298.13696	2.3
339.14236	1.6
352.17056	0.5
426.85251	0.6
441.10056	1.7
441.17523	3.3
441.26126	2.0
442.27173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64157	0.4
56.64729	0.3
57.03442	0.5
59.01383	1.3
61.98835	100.0
65.49213	0.3
71.69965	0.6
72.76675	0.3
72.99318	0.3
88.98820	0.6
98.83831	0.4
111.04489	0.5
144.63518	0.3
151.04018	0.4
170.15872	0.4
173.04533	0.4
235.09869	0.5
442.26663	0.7
443.24133	1.4
443.28616	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61029	1.0
56.65053	0.9
56.65819	0.9
57.03445	6.6
57.90766	1.0
59.01381	15.1
59.27261	1.1
61.98837	7.2
63.34347	0.9
69.03474	2.2
69.47539	9.8
70.30617	1.0
71.01382	10.4
75.00858	0.9
79.05562	2.3
79.95739	1.1
80.02718	0.9
81.03445	2.1
83.01388	2.5
83.05036	2.8
84.94032	0.9
85.02956	4.8
87.00895	2.0
89.02466	8.9
89.60167	1.0
93.03494	6.7
95.05017	1.9
96.96029	3.9
96.96990	1.4
97.02959	5.8
97.06607	3.5
99.04548	4.0
101.02450	6.2
102.56055	1.4
107.05069	6.8
108.02199	6.0
109.02966	4.1
109.06596	2.0
111.04538	5.4
113.02460	7.8
117.03477	1.7
119.03527	2.9
119.05034	12.3
121.06618	4.0
123.04552	9.0
123.08174	2.8
125.02473	2.8
125.06097	7.1
133.03001	2.0
133.06631	1.6
134.03786	2.0
135.04536	8.3
135.08180	1.2
136.05370	9.3
137.02444	1.1
137.06161	1.5
137.09752	3.4
139.07693	6.8
145.02974	4.2
146.08240	5.3
147.04546	2.4
147.11826	1.9
149.06073	1.3
151.04047	16.0
151.07680	70.6
151.11308	7.2
152.01158	2.5
152.08023	2.7
153.01996	2.7
153.05602	3.9
158.07422	2.1
159.04526	1.1
159.08269	1.3
161.02470	3.5
161.04668	1.0
161.06088	2.4
161.09708	1.2
163.04030	8.8
165.09169	1.4
167.07190	3.2
168.07944	15.9
169.08728	8.2
171.08244	2.1
171.11842	3.9
173.04590	9.7
173.06049	1.5
173.09731	5.9
175.07712	1.7
175.11296	3.1
177.09102	1.0
179.03508	4.2
179.07179	6.1
179.10841	1.6
181.05061	1.3
184.08958	11.7
185.09354	2.1
185.12282	1.0
187.11292	7.3
189.09152	1.9
189.12883	8.8
191.05620	13.8
191.10869	1.3
193.05095	1.8
196.50017	1.3
199.11292	8.7
201.09213	6.2
202.09917	4.1
205.12376	27.5
206.12720	1.9
215.10818	5.8
217.12344	48.5
218.12674	4.4
219.10364	1.1
227.10992	1.3
235.06184	1.6
235.13390	10.1
241.12314	1.7
243.10255	5.8
249.11334	4.2
261.11343	6.2
265.07153	2.8
273.11426	1.4
277.12277	4.1
279.12384	100.0
280.12723	10.0
285.11209	1.3
293.13815	2.4
303.12518	2.6
321.13480	2.0
360.09631	1.3
372.85248	1.1
441.13797	2.0
441.26529	4.0
442.26947	1.6
448.79895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05137	0.4
55.01874	1.0
57.03438	3.6
58.00592	2.1
59.01380	35.2
61.98836	3.5
68.99884	0.5
69.03427	0.7
71.01384	21.8
72.99309	2.2
73.02952	1.2
78.14553	0.5
81.03487	1.1
83.01391	1.6
83.05044	1.9
84.02169	1.0
85.02960	4.5
87.00895	2.2
89.02454	22.9
90.02802	0.8
93.03463	1.6
95.01409	2.5
95.05030	1.4
97.02940	1.2
97.06605	2.0
98.20657	1.0
99.00908	0.9
99.04523	2.2
101.02453	15.3
101.21510	0.5
108.02200	0.7
109.02952	2.2
109.10928	0.5
111.04559	1.0
113.02459	7.9
119.03506	10.0
121.06599	4.7
123.04509	0.7
123.08167	1.4
125.02456	1.0
125.06078	2.7
131.03531	1.0
133.02895	0.6
133.06583	0.7
135.04550	2.6
135.08191	1.4
136.05338	0.9
137.09773	0.6
139.07640	2.2
143.03529	2.2
147.08171	0.7
147.11856	3.2
149.02486	0.7
151.03993	0.7
151.07666	15.7
151.11305	2.1
158.07352	1.1
159.08134	1.0
161.04581	3.1
161.05928	0.9
165.05615	0.6
165.09229	0.7
167.07150	3.8
171.11777	2.0
173.04567	1.6
173.06017	0.6
173.09692	2.7
175.07654	0.7
175.11351	2.5
179.03741	0.9
179.05618	10.0
179.07159	4.1
179.10754	1.0
181.05084	0.7
184.08942	6.1
185.09328	0.7
187.11331	3.3
189.09299	0.6
189.12862	8.1
190.13177	0.6
191.05673	1.8
199.11325	4.7
201.09242	5.0
202.10016	3.2
205.12352	1.1
215.10765	3.7
217.12332	37.1
218.12640	3.2
219.06543	0.7
235.13380	7.7
236.03506	3.2
236.13737	1.0
243.10164	0.7
259.25479	0.6
261.11429	3.3
264.02982	15.4
279.05426	3.3
279.12408	2.1
285.04044	2.1
330.13214	0.7
427.09103	3.7
441.17664	100.0
442.11429	14.3
442.18015	15.0
442.27014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2238
Annotation	Alalakine
Peak:m/z	Relative Intensity
52.70958	0.1
54.59163	0.1
55.01884	0.4
56.61179	0.2
57.03443	1.6
61.98837	0.4
66.03483	0.9
67.01900	0.6
68.01420	0.5
69.03462	13.9
69.41456	0.7
69.41880	1.1
70.02990	0.9
70.03797	0.3
71.01387	0.7
71.05038	1.4
71.85806	0.2
73.02946	0.4
78.95916	0.4
79.64285	0.2
80.02673	0.8
80.05051	0.3
81.03464	0.7
82.02988	1.0
83.05042	0.6
84.04558	1.0
85.02975	0.4
93.03468	0.7
94.02997	1.2
95.05054	0.9
96.00932	5.0
96.04566	0.2
98.02493	48.0
99.02828	1.3
102.34599	0.2
107.03783	0.2
108.00977	0.2
109.01720	0.5
109.06637	0.2
110.02505	1.8
111.03271	0.5
112.04066	5.6
112.05247	0.3
112.98775	0.2
116.05083	34.5
117.05407	1.4
123.00915	0.8
123.03296	0.2
124.00420	0.8
124.04057	0.4
126.01991	0.3
126.71775	0.2
128.05084	1.5
130.06647	3.9
132.04584	0.5
136.04054	0.5
137.02455	0.3
139.02844	0.2
140.05086	0.7
142.06648	35.7
143.06143	0.2
143.07014	2.2
144.04570	0.5
146.06123	0.7
151.11287	0.7
153.12886	4.5
154.05386	1.8
154.06644	0.6
154.13197	0.3
155.06207	1.2
155.14363	0.2
156.04594	0.5
156.06950	1.4
157.07733	10.6
158.06145	1.2
158.08080	0.6
159.09309	0.4
162.89378	0.2
167.06158	3.5
168.06952	0.4
168.08231	0.3
169.04109	0.2
169.07721	2.6
169.09045	0.2
169.16003	3.0
170.06091	1.0
170.09743	0.5
171.01762	2.1
171.09291	0.7
171.13940	3.9
172.04063	0.4
172.14226	0.3
173.04585	0.2
179.14444	3.4
180.06926	2.5
180.08278	0.3
180.14801	0.2
181.07745	15.7
181.16002	5.3
182.06180	0.6
182.08165	1.1
183.05655	45.1
183.17586	0.6
184.06027	3.5
185.07210	1.8
186.05701	0.5
192.17810	0.2
193.07797	1.2
193.16002	9.9
194.06139	0.2
194.08406	0.3
194.16309	0.6
195.05663	0.9
195.09328	0.8
195.13916	3.1
195.17569	2.6
196.07677	0.7
196.17172	0.2
197.07266	0.5
197.15475	0.7
205.07745	0.4
207.09189	0.3
208.09804	0.2
209.15475	0.5
211.17033	1.6
213.06712	14.6
213.10274	0.9
214.06929	1.1
219.13899	0.3
220.17065	2.5
221.07175	1.4
221.17477	0.2
222.07951	0.9
222.18645	0.2
223.08781	7.4
224.09129	0.8
224.16605	2.4
225.06729	3.1
225.10211	1.0
225.14923	0.4
225.16960	0.3
226.07100	0.6
234.15009	2.4
234.18588	0.8
235.13550	0.3
235.15645	1.0
236.16580	2.0
237.14925	0.6
238.18068	0.3
239.08237	0.7
241.09828	57.8
242.10170	5.3
248.16557	3.8
249.16951	0.4
250.14450	0.2
252.16046	16.1
253.16458	1.5
264.16019	3.4
265.14413	0.5
265.16840	0.2
266.17593	2.7
267.17984	0.3
278.17599	5.9
279.15540	0.3
279.18112	0.6
285.08887	0.5
293.14182	0.3
311.21313	0.3
321.23389	1.2
333.23376	0.7
334.21906	0.2
335.21271	1.2
349.22690	0.5
351.24435	20.0
352.24777	2.7
367.23944	0.7
377.22360	89.2
378.22687	15.0
393.21716	1.0
394.22028	0.2
395.23419	100.0
396.23740	17.4
396.29041	0.5
427.22174	0.3
439.22379	24.7
440.22754	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	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44502	0.9
56.98013	1.8
57.03434	1.8
58.00594	2.4
59.01383	68.9
61.98830	6.0
62.49760	1.0
64.95251	13.1
68.12183	1.1
69.85839	7.4
70.02976	2.0
71.01386	48.2
71.05025	5.4
72.01733	1.3
72.99306	3.3
73.02947	11.1
74.00701	2.0
74.99097	7.7
75.00882	2.1
83.01367	2.7
83.05014	1.3
85.02959	13.2
87.00893	5.7
88.98827	6.8
89.00674	5.1
89.02459	77.8
90.02775	1.9
90.29300	1.2
93.03451	7.8
95.01407	2.8
96.96017	2.7
96.96974	1.7
97.02962	2.7
98.19937	1.4
98.90413	1.0
99.00891	17.4
99.04547	3.2
101.02457	34.9
102.98615	2.9
103.63183	1.2
109.02992	2.5
111.00947	1.3
111.04545	3.6
113.02477	17.1
113.07220	1.8
115.92089	2.5
116.92843	1.2
117.00193	3.3
119.03513	14.3
119.05009	1.9
121.03042	1.9
125.02492	5.7
127.04019	1.5
128.01788	10.1
130.03366	2.5
130.17676	1.2
131.03532	9.3
133.02966	4.2
133.05087	1.7
135.04543	3.2
137.02444	2.7
143.03484	4.5
145.02985	2.8
145.04405	2.3
146.08255	31.0
147.04509	3.2
147.05975	1.0
147.08580	1.6
149.04579	35.4
155.03505	1.4
159.04517	4.0
160.01678	3.1
161.02473	19.8
161.04590	4.1
162.03143	1.4
163.04012	17.2
173.04567	11.5
174.03169	1.2
175.04031	5.1
177.05635	2.5
179.03487	2.6
179.05591	7.0
189.01958	61.2
190.02327	2.2
191.05629	67.9
192.06003	4.5
214.99934	3.2
216.84555	1.2
217.11887	3.6
221.04547	16.0
221.06537	1.6
222.02306	2.2
222.04861	1.4
233.00923	3.7
247.02461	8.3
247.11821	4.0
251.07771	3.0
265.03534	10.6
275.10745	14.2
276.11014	1.3
277.12268	28.9
278.12680	2.0
309.09479	19.3
309.12811	2.1
310.09702	1.8
341.84958	1.2
379.16095	100.0
380.16452	13.7
403.06058	1.2
409.01233	1.4
439.07816	4.4
439.12115	10.3
439.32047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92230	0.4
55.01873	0.5
57.03448	0.8
58.00586	0.6
59.01382	24.7
60.01711	0.5
61.98825	0.5
69.54001	0.4
70.53613	1.1
71.01389	18.1
71.05025	1.7
72.99322	1.0
73.02948	3.2
74.43306	0.5
75.00816	0.4
83.01403	1.2
83.05020	0.6
84.95138	1.7
85.02969	5.1
87.00890	1.9
89.02457	100.0
90.02783	1.4
91.95446	0.5
93.03481	1.7
93.80130	0.4
95.01413	1.6
96.96036	0.6
99.00904	1.1
99.04424	0.5
101.02460	9.5
101.06090	3.6
106.01544	0.4
107.49057	0.5
111.31659	0.4
112.37891	0.5
113.02470	7.5
118.98108	1.1
119.03525	5.9
125.02485	0.9
131.03552	1.0
133.05107	5.1
135.04539	1.1
143.03615	2.1
146.08194	0.7
149.04565	0.7
159.02942	0.8
161.02477	1.2
161.04590	9.5
163.04033	0.9
165.05605	0.7
173.04608	2.6
179.03740	0.6
179.05623	11.4
180.04221	0.6
180.05827	0.5
188.43292	0.5
189.01933	3.1
191.05629	4.9
195.06577	0.7
229.01512	0.7
263.11353	13.8
264.11612	1.2
265.03619	0.6
269.55792	0.4
277.12357	0.6
307.10480	0.8
335.13651	1.6
414.36685	0.5
439.09213	0.7
439.16782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92032	0.6
57.03439	1.5
59.01380	8.6
61.98834	3.5
67.01907	2.1
69.03454	1.5
69.43312	7.0
71.01386	4.7
73.02927	0.8
81.03458	0.8
83.05067	1.0
85.02962	6.7
87.00884	1.8
88.98840	1.2
89.02476	3.3
93.03470	15.8
94.03812	0.7
96.96027	1.9
99.04543	1.7
101.02453	2.1
105.03486	0.8
109.02940	2.1
111.00931	1.0
111.04516	3.7
113.02436	1.8
117.03463	2.7
119.03505	1.3
119.05035	1.3
120.99675	1.1
123.04530	0.9
127.04092	1.7
133.02995	3.6
135.04527	1.0
137.02463	3.7
143.03531	1.1
145.02988	4.8
146.08215	0.8
146.46701	0.7
147.04517	3.1
155.03528	4.5
159.04526	7.8
160.01698	2.3
161.02467	35.5
162.03291	4.4
162.04518	0.8
163.04033	48.2
164.04370	2.4
173.04568	48.5
174.03242	3.4
174.04958	2.1
175.04030	10.9
177.01953	1.5
177.05588	5.0
179.03572	1.5
187.00465	0.7
189.01955	100.0
190.02298	6.9
191.03770	1.7
191.05624	32.8
192.05984	1.3
193.05083	2.1
194.02203	3.3
203.03517	1.9
205.01427	0.9
214.99937	4.0
219.03024	0.9
221.04556	42.7
222.04778	3.0
223.00607	0.9
233.00897	3.7
247.02464	20.4
248.02818	1.5
265.03534	17.6
266.03778	1.1
289.03601	0.8
307.04465	1.1
389.05551	0.6
406.36578	0.7
421.07803	3.0
439.08798	20.9
439.15775	1.3
440.09225	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96366	0.2
65.91378	0.2
70.29799	0.9
78.95915	41.4
83.13145	0.2
96.96980	100.0
137.53383	0.2
205.70752	0.2
208.17010	0.2
210.06248	0.2
253.25920	0.2
259.02209	0.3
341.10901	0.3
439.08707	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	439.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01384	4.6
61.98833	2.1
65.56335	0.4
67.01878	0.6
68.02681	0.4
71.01388	2.5
71.40997	0.8
73.02951	0.9
75.00878	1.6
76.62756	0.4
78.95933	0.8
81.03503	0.6
83.05028	1.0
85.02959	7.4
87.00880	1.9
88.98811	1.6
89.02462	1.1
93.03469	5.4
95.05009	0.4
96.96026	1.1
96.96971	0.7
99.00862	0.5
99.04543	0.7
101.02464	1.5
103.00362	2.5
105.01959	0.6
105.03487	0.7
109.02979	1.2
111.00803	0.4
111.04554	2.9
117.03487	1.3
119.05032	0.8
123.04518	1.3
125.02426	0.7
127.04037	1.7
129.01952	0.5
132.02151	0.5
133.02965	3.0
135.04535	1.0
137.02496	1.0
143.03528	0.4
145.02982	3.4
147.04495	2.1
155.03450	2.0
159.04526	6.9
160.01682	4.2
160.04903	0.6
161.02467	29.4
161.04576	0.9
162.03174	2.3
163.04030	25.9
164.04411	1.1
171.03069	0.6
173.02377	1.0
173.04579	7.3
174.03293	2.7
175.04034	7.1
177.02031	0.6
177.05574	4.2
179.03540	1.6
187.00430	1.1
188.01244	0.7
189.01955	100.0
190.02277	5.4
191.05630	62.3
192.05969	3.0
193.05035	0.8
194.02197	1.5
203.03525	1.2
205.01364	0.7
206.02191	0.5
207.02896	0.8
214.99870	3.7
221.04565	24.4
222.04871	1.7
233.00967	6.2
247.02477	15.4
248.02846	1.5
265.03531	15.6
266.03848	1.2
267.06732	0.5
379.19672	0.5
386.85910	0.5
401.14651	1.3
421.07941	2.2
439.08640	12.3
440.09384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01909	2.9
56.43120	1.7
59.01383	10.7
61.95070	1.7
61.98833	39.6
68.05052	9.2
69.03464	1.7
69.56317	1.6
71.70927	2.9
75.52811	1.7
78.95910	3.3
81.04565	3.9
82.03001	7.2
82.06636	1.9
83.04993	1.7
85.02972	3.5
93.03489	2.8
94.03003	3.4
94.06629	1.8
95.06177	1.9
107.06177	4.2
109.02974	2.5
110.02480	8.2
124.04121	1.9
125.02723	2.5
125.03583	12.1
128.03511	1.6
135.04509	2.2
135.09312	1.9
137.02460	1.6
141.28120	1.5
151.05106	1.6
153.03076	5.8
153.12849	4.5
169.16017	5.2
171.04137	10.3
173.04652	3.7
181.15982	2.3
191.05640	4.9
194.15611	2.8
195.17575	20.9
196.17075	27.8
197.15512	26.9
197.17303	1.9
198.15854	2.3
206.19212	4.4
208.17068	3.1
209.19118	4.0
212.06702	2.0
222.18646	13.0
223.10307	1.7
224.20174	10.0
236.20236	24.4
237.20428	2.5
254.21327	3.2
261.19662	2.8
262.77777	1.7
274.85272	1.7
277.22858	21.2
278.23254	3.0
289.22879	31.1
290.23257	3.3
291.20682	11.9
292.21051	1.9
300.58585	1.8
307.23880	2.9
332.23416	9.8
334.21280	15.4
394.23511	91.9
395.23938	13.1
421.19547	2.0
438.22479	100.0
439.22922	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	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85934	0.2
59.01377	1.1
61.98828	0.4
65.82339	0.2
71.01389	0.2
72.20428	0.2
72.99314	1.3
73.02969	0.2
74.02456	0.3
75.00881	100.0
76.01209	1.4
78.95908	0.3
85.02978	0.4
91.16352	0.2
93.03477	0.8
109.02976	0.3
135.04544	0.4
137.02434	0.3
173.04596	0.8
179.03569	0.3
185.08780	0.2
189.01994	0.4
191.05602	1.7
192.06018	0.4
198.48611	0.2
264.43109	0.2
327.63800	0.3
437.23505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
61.35770	0.1
61.98833	100.0
62.98524	0.2
69.66080	1.3
71.01408	0.4
71.62244	0.2
78.95917	2.0
85.02956	0.4
88.98815	0.3
89.02456	0.5
93.03460	0.4
96.69682	0.1
96.96024	2.1
96.96970	4.8
96.97576	0.3
97.33025	0.2
98.20631	0.2
101.02449	0.3
110.90821	0.2
111.04536	0.2
113.02419	0.2
119.05042	0.2
125.02520	0.2
127.03940	0.2
135.04549	0.5
137.02473	0.2
161.02513	0.3
161.79248	0.2
163.04031	0.3
165.05574	0.5
166.05849	0.3
173.04604	0.7
179.03549	0.4
191.05637	2.2
236.88805	0.2
295.10461	0.4
337.11716	0.2
352.06540	0.2
375.06982	0.7
399.25607	0.2
439.14758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04863	0.3
53.17186	0.3
59.01372	0.7
61.98833	100.0
67.51799	0.3
71.01396	0.4
71.69997	0.3
78.95970	0.3
88.98853	0.4
93.03473	0.3
111.04536	0.5
112.98835	0.7
115.00330	0.4
120.13970	0.3
125.07243	0.5
130.12518	0.3
135.03081	0.6
173.00969	0.5
191.05659	0.4
239.16295	0.3
241.08379	0.5
265.14478	1.1
279.16174	0.5
308.66473	0.3
439.24347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43559	0.3
55.20526	0.3
58.13598	0.3
59.01373	1.3
61.98833	100.0
63.88027	0.3
71.69824	0.6
76.89526	0.3
78.95892	0.5
80.12264	0.3
83.05915	0.3
85.50418	0.3
88.57122	0.3
93.03453	1.7
94.07230	0.4
95.05958	0.3
96.96039	0.8
96.96976	0.3
103.00401	1.3
107.73283	0.3
109.03003	0.4
111.04526	0.6
125.02483	0.8
137.02505	0.6
145.09877	0.4
147.04587	0.9
155.03517	0.9
156.27736	0.3
173.04613	0.4
176.70573	0.3
176.80476	0.4
191.05702	1.0
204.30994	0.3
271.85086	0.3
301.18149	0.7
309.22034	0.6
353.16055	0.4
374.20596	0.4
438.33557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27679	0.3
52.27998	0.3
57.03453	13.8
58.03813	0.2
59.01384	11.0
61.74247	0.3
61.98830	2.5
65.00332	0.7
69.03433	0.3
71.01389	2.8
71.70343	0.5
73.02962	0.9
80.91475	0.3
81.03474	1.8
83.01399	4.5
85.02978	1.5
87.00897	0.5
89.02447	1.5
93.03488	1.1
95.01398	0.7
95.12296	0.2
99.00907	0.8
101.02460	3.2
107.01445	1.0
108.02248	0.4
109.02992	0.6
111.00925	0.7
113.02468	1.7
119.03513	0.4
120.99672	0.4
121.02957	0.4
123.00903	0.3
124.01707	0.9
125.02473	100.0
126.02810	4.1
133.17117	0.3
135.04532	1.3
137.02513	0.5
151.00388	2.4
151.99397	0.9
152.01198	3.6
153.01933	1.0
154.00990	0.9
159.02988	0.6
161.02498	0.6
161.04570	1.1
163.99399	5.6
165.00000	0.4
167.01749	0.5
173.04625	1.5
178.99924	2.2
179.01764	4.3
179.03514	0.8
179.05638	0.8
179.98907	6.4
180.99380	0.5
182.02403	0.2
191.05635	1.7
195.01245	4.6
196.01494	0.4
197.02757	0.3
206.00461	1.2
207.98444	1.7
208.98952	0.3
211.04187	0.3
221.02811	1.5
223.00708	3.8
230.00415	0.5
231.01474	0.3
231.98294	0.6
239.03691	0.5
246.03587	0.4
247.00906	0.3
248.01447	1.0
255.03253	0.4
257.04556	0.5
263.03854	1.1
272.01437	0.9
282.01724	2.6
283.02524	4.1
284.02979	0.5
287.03824	0.5
288.01022	1.1
297.04095	9.6
297.99442	0.4
298.04410	0.9
305.04883	3.6
316.00522	1.2
317.01196	0.3
321.04523	0.5
331.02838	20.1
332.03284	2.1
338.93604	0.3
347.20914	0.7
349.03894	3.9
353.03354	0.5
359.20792	4.1
377.18008	0.3
393.06308	0.4
409.06079	0.5
419.04437	3.1
420.04797	0.5
436.30252	0.6
437.05463	18.2
438.05713	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	437.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
61.98850	0.9
66.34154	0.5
69.63605	0.6
70.90425	1.6
77.64729	0.6
89.52329	0.5
105.07331	0.5
105.12484	0.5
116.05077	5.8
133.01730	0.7
141.04594	3.0
142.06653	9.6
144.10432	0.6
147.19078	0.6
153.12898	2.3
154.06660	1.4
156.08252	1.3
166.06581	0.8
167.06157	6.3
168.08197	1.8
169.07736	47.5
170.08101	2.6
171.13969	1.6
180.06996	3.9
181.07719	0.9
183.09294	40.4
184.09680	2.3
193.07741	4.7
194.08128	0.6
195.09293	51.2
196.09689	3.8
197.10828	5.5
209.07362	0.8
211.08778	18.9
212.09074	1.7
220.06386	0.8
221.07167	3.0
222.08011	2.0
226.37071	0.6
232.13475	2.4
234.05664	0.7
235.08752	2.2
236.09586	1.0
237.06738	1.7
239.08269	22.4
240.08672	2.4
248.09537	1.4
250.14601	1.0
259.08774	1.6
261.06726	1.2
271.07474	0.7
275.08282	1.8
276.09000	3.0
331.21622	1.0
337.22906	6.0
346.18088	3.1
347.21252	6.2
348.19577	0.7
349.22870	31.8
350.23288	5.4
357.19855	0.9
365.22253	3.5
375.20779	41.2
376.21130	7.6
392.21140	0.6
393.21848	100.0
394.22183	17.8
437.20810	21.7
438.21252	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	437.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27679	0.3
52.27998	0.3
57.03453	13.8
58.03813	0.2
59.01384	11.0
61.74247	0.3
61.98830	2.5
65.00332	0.7
69.03433	0.3
71.01389	2.8
71.70343	0.5
73.02962	0.9
80.91475	0.3
81.03474	1.8
83.01399	4.5
85.02978	1.5
87.00897	0.5
89.02447	1.5
93.03488	1.1
95.01398	0.7
95.12296	0.2
99.00907	0.8
101.02460	3.2
107.01445	1.0
108.02248	0.4
109.02992	0.6
111.00925	0.7
113.02468	1.7
119.03513	0.4
120.99672	0.4
121.02957	0.4
123.00903	0.3
124.01707	0.9
125.02473	100.0
126.02810	4.1
133.17117	0.3
135.04532	1.3
137.02513	0.5
151.00388	2.4
151.99397	0.9
152.01198	3.6
153.01933	1.0
154.00990	0.9
159.02988	0.6
161.02498	0.6
161.04570	1.1
163.99399	5.6
165.00000	0.4
167.01749	0.5
173.04625	1.5
178.99924	2.2
179.01764	4.3
179.03514	0.8
179.05638	0.8
179.98907	6.4
180.99380	0.5
182.02403	0.2
191.05635	1.7
195.01245	4.6
196.01494	0.4
197.02757	0.3
206.00461	1.2
207.98444	1.7
208.98952	0.3
211.04187	0.3
221.02811	1.5
223.00708	3.8
230.00415	0.5
231.01474	0.3
231.98294	0.6
239.03691	0.5
246.03587	0.4
247.00906	0.3
248.01447	1.0
255.03253	0.4
257.04556	0.5
263.03854	1.1
272.01437	0.9
282.01724	2.6
283.02524	4.1
284.02979	0.5
287.03824	0.5
288.01022	1.1
297.04095	9.6
297.99442	0.4
298.04410	0.9
305.04883	3.6
316.00522	1.2
317.01196	0.3
321.04523	0.5
331.02838	20.1
332.03284	2.1
338.93604	0.3
347.20914	0.7
349.03894	3.9
353.03354	0.5
359.20792	4.1
377.18008	0.3
393.06308	0.4
409.06079	0.5
419.04437	3.1
420.04797	0.5
436.30252	0.6
437.05463	18.2
438.05713	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	437.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35500	0.7
56.39782	0.7
59.01380	5.4
61.98831	4.0
70.26796	3.2
71.01387	2.9
80.63837	0.8
82.95422	6.9
85.02964	1.9
85.38522	0.7
87.00880	1.2
88.98843	1.1
89.02464	1.5
90.07378	0.7
93.03467	3.0
95.01427	1.5
96.96025	4.7
98.20571	0.7
98.95608	5.4
98.96374	1.1
99.00882	1.1
99.92601	23.2
100.92635	2.0
100.93379	4.5
101.02448	0.9
108.02194	5.0
109.02982	1.2
111.00891	2.9
113.02473	1.9
115.92097	100.0
116.92101	6.8
116.92885	23.3
117.03501	4.7
119.05046	31.1
120.05398	1.6
123.00927	4.0
124.27563	0.8
125.02499	2.0
132.92435	1.0
134.03763	3.0
135.04573	1.3
137.02475	0.9
138.39023	0.7
142.94427	3.0
145.02992	8.8
160.04044	1.4
161.04659	1.2
163.04033	24.0
164.04364	1.7
168.29750	0.7
168.96002	5.4
173.04573	2.2
179.03447	1.2
191.05675	7.8
192.95978	1.1
206.93918	2.1
207.94687	5.7
209.96085	0.9
210.97063	17.6
211.97260	1.4
215.95264	1.1
217.96797	1.8
218.97527	3.8
224.95053	1.6
228.98112	13.7
229.98172	1.1
232.95534	0.9
234.97058	2.8
246.97050	2.5
250.96521	2.0
260.97171	1.6
262.96512	4.3
275.72433	0.8
278.96112	1.9
291.08792	4.2
323.65121	0.7
326.99777	1.3
339.09918	0.9
357.00735	58.4
358.00946	9.7
375.01941	4.4
376.01822	1.0
400.99725	1.0
407.00745	8.9
408.00897	1.2
419.01321	0.7
437.01712	2.7
438.10425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	9.2
57.18820	0.6
59.01080	1.1
59.01379	16.3
60.01701	0.5
61.98838	3.9
62.88751	0.5
71.01384	4.4
71.71154	0.9
73.02961	1.4
75.00881	0.7
79.93944	0.7
83.01422	0.8
85.02970	3.9
87.00883	1.3
87.04559	0.8
88.98818	1.1
89.02462	2.8
93.03467	3.3
95.01403	0.6
96.96025	1.7
97.02963	0.7
98.95609	1.8
99.00887	4.9
99.04537	6.4
99.66953	0.6
99.72229	0.6
99.92596	27.2
100.04880	0.6
100.92637	1.4
100.93380	6.1
101.02455	4.2
108.02182	2.1
109.03002	2.2
111.00868	0.7
111.04540	0.8
113.02482	1.5
115.92095	100.0
116.92113	6.3
116.92870	41.6
117.03481	7.3
117.92869	2.2
117.93645	1.1
118.98103	1.1
119.05045	27.5
120.05374	2.0
121.02977	1.9
123.00916	1.3
123.04516	1.1
124.69392	0.6
125.02480	3.4
126.94953	1.2
127.04004	0.7
131.07162	0.6
132.02136	0.9
132.92389	0.9
133.02950	0.8
134.03764	4.9
135.04546	3.1
137.02492	3.1
142.94458	4.7
143.03558	0.7
145.02975	9.6
146.03441	0.6
149.02481	1.1
153.02023	0.6
155.03461	0.8
159.04497	0.6
160.04086	0.6
161.02426	1.5
161.04636	0.9
161.06036	0.8
163.02716	1.1
163.04036	19.1
164.04440	1.1
167.95232	1.8
168.95998	6.2
169.96033	0.8
172.05350	0.7
173.04576	6.2
177.01950	1.0
179.03502	1.2
187.04117	0.7
191.03941	1.0
191.05637	12.5
192.05972	1.6
192.96060	1.1
193.06122	1.2
201.09392	1.0
201.11279	0.6
202.98204	1.2
207.94608	0.8
210.97050	26.1
211.97112	2.9
215.95203	0.6
216.95804	0.8
217.96750	2.1
218.97556	3.9
219.10274	1.0
219.97737	0.6
222.97092	0.6
224.95003	1.0
228.98065	3.5
232.95424	0.9
233.96251	1.0
234.97034	4.4
244.99135	1.0
245.96204	2.1
246.97015	10.7
247.97281	1.3
250.96527	1.6
260.94745	0.6
261.95703	1.5
262.96539	4.6
263.09164	1.2
263.96799	0.6
274.09650	0.6
278.96027	2.1
291.08807	3.2
293.12338	1.4
293.15707	1.1
308.83932	0.6
330.99017	1.1
339.09415	0.7
357.00720	93.5
358.00946	14.8
375.01712	1.7
388.99722	1.8
419.13388	0.6
437.01730	2.1
437.15012	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	436.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42770	0.3
59.01384	5.4
60.01721	0.5
61.98836	100.0
65.03989	0.3
65.25282	0.2
67.01862	0.3
71.01402	0.8
71.70458	0.4
78.95929	0.5
83.01404	0.7
89.02448	0.6
93.03477	16.7
94.03809	6.4
101.02458	0.7
105.56270	0.3
108.02197	5.3
109.03008	16.3
110.03313	7.3
123.00917	0.5
125.02512	0.3
132.02246	0.3
137.02477	23.0
138.02815	13.5
139.02957	0.7
146.61424	0.3
147.04593	0.3
152.01184	6.7
153.01984	19.7
154.02321	10.3
155.02393	0.6
171.00833	0.3
173.04576	1.1
185.76433	0.3
191.05562	0.4
207.73375	0.3
255.35303	0.3
297.06207	1.4
298.06512	2.8
298.27942	0.2
315.07196	3.2
316.07617	5.9
317.07770	0.8
335.04608	0.3
357.59000	0.3
369.73550	0.3
376.20703	0.5
436.09705	30.6
437.09933	5.0
450.35535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76964	0.3
59.01392	0.8
61.98835	100.0
66.29774	0.4
70.77412	1.0
70.77760	0.4
77.11911	0.3
78.95934	0.7
80.62599	0.4
92.04652	0.4
93.03525	0.4
105.01969	1.1
134.76871	0.4
136.53641	0.4
142.99908	1.1
143.15536	0.4
152.99660	0.5
181.16017	0.6
188.56143	0.3
191.05696	0.7
197.15428	0.4
209.15524	0.8
221.15614	0.4
237.15012	0.7
251.16460	0.8
265.14493	2.1
279.16046	3.2
280.16425	0.5
293.13947	5.3
295.91443	0.3
297.17014	0.6
341.16040	2.9
352.93921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81815	0.7
57.03453	17.8
59.01379	17.5
59.44345	0.7
60.01707	0.9
60.42529	0.9
61.98843	4.4
63.02410	1.7
65.00317	2.3
67.01905	1.1
71.01398	5.3
72.65553	0.8
72.99300	1.1
73.02949	1.7
74.99076	0.8
81.03440	0.8
83.01401	4.9
85.02966	2.6
85.60242	0.7
87.00890	2.8
88.98818	1.0
89.02446	2.5
93.03488	5.0
95.01405	7.4
98.19914	1.7
99.04532	2.6
101.02457	2.9
107.01402	3.6
108.02244	1.3
109.01871	0.9
109.02983	15.1
110.03320	4.2
111.00913	3.9
111.03393	1.2
111.04512	1.2
113.02449	2.3
115.92081	2.2
116.92854	1.1
118.98141	1.4
119.03548	1.1
119.05035	1.0
121.02991	1.0
123.00913	4.9
123.04527	1.4
124.01688	10.9
125.02471	100.0
126.02786	4.1
134.03772	0.9
135.04530	3.5
137.02505	2.1
138.05653	1.3
139.00406	2.4
140.01154	0.8
141.01920	1.3
148.01685	0.8
148.04051	4.7
148.05194	0.6
149.02434	1.2
149.04431	2.7
150.04599	1.0
151.00403	29.3
152.01192	38.1
153.00197	3.1
153.01543	2.5
154.00981	9.1
155.01328	0.8
155.03513	1.3
155.82703	0.9
161.02446	1.8
161.04491	1.1
162.02840	0.8
165.01952	6.0
167.98831	2.2
169.01460	1.2
169.67850	0.8
173.04602	7.8
174.03134	0.8
174.04962	1.0
176.01225	0.8
177.02032	0.8
178.01016	1.0
178.99886	42.2
179.03342	2.0
179.98892	1.8
180.00269	2.0
180.99567	1.2
182.00438	6.1
183.01236	1.6
185.99934	3.5
187.03979	2.2
191.05678	9.0
192.05995	2.5
195.01118	1.1
197.02747	5.2
206.00504	1.8
207.98407	4.8
219.01207	2.1
220.01868	1.3
221.02727	1.9
223.00708	12.1
224.01468	1.9
229.05083	2.9
230.00453	2.3
234.03462	1.2
239.03671	1.1
245.02771	4.9
246.03429	2.2
247.00732	4.7
248.01476	6.9
249.99358	1.8
254.07976	0.8
255.02922	1.6
255.08626	1.2
256.08844	2.0
257.04556	1.3
261.02118	0.9
262.02951	1.5
263.03891	3.9
272.01434	3.0
272.09189	2.3
273.09586	2.2
274.09818	3.3
283.02460	3.5
287.03821	2.3
288.00919	1.8
290.02582	17.6
291.02902	1.9
305.04913	13.4
306.02133	4.5
306.05173	1.5
316.00513	18.9
317.00858	2.5
321.04449	9.7
322.04721	1.5
331.02817	43.1
332.03091	5.1
349.03891	80.6
350.04205	10.0
357.00723	2.2
364.24124	0.8
403.03827	1.0
408.07410	1.0
418.06024	11.8
419.06229	2.0
426.70688	0.9
436.07062	48.2
436.15143	7.5
437.07410	6.8
437.13474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
59.01379	6.6
61.98819	1.0
69.03464	3.1
71.01389	3.9
71.70053	0.6
73.02952	1.4
81.03461	2.2
83.01379	1.8
85.02950	1.9
87.00874	0.8
88.99767	0.5
89.02425	1.4
93.03473	3.7
95.01402	1.5
97.02956	2.7
99.04518	0.9
101.02448	1.9
107.01397	0.7
108.02197	1.3
111.04603	0.6
113.02460	1.0
116.92754	0.6
119.05003	0.6
121.02941	1.4
122.02499	13.7
122.03345	1.2
122.13969	0.6
123.00898	6.5
123.04529	3.6
124.01690	16.4
124.04857	1.8
125.02467	50.9
126.02766	1.2
133.02834	0.6
135.04532	2.8
136.01714	1.1
137.02469	6.2
141.19904	0.6
141.58946	0.6
149.02480	1.4
149.99606	29.5
151.00418	2.6
151.04062	1.3
152.01065	1.6
152.04341	1.3
152.55513	0.5
153.01953	0.7
153.05627	0.7
161.02438	1.2
161.04634	0.7
163.04059	0.6
167.03508	1.8
168.00661	57.9
169.01343	5.7
173.04593	5.1
179.03537	1.5
180.03789	0.6
191.05617	6.5
192.06068	0.7
217.08723	0.5
219.10210	0.9
229.01479	0.6
229.08705	1.8
230.09047	1.3
274.07831	1.1
293.12469	1.6
300.72128	0.7
313.05664	6.0
314.05884	0.8
335.13562	0.7
376.17020	0.8
377.18210	0.9
399.57675	0.6
418.07550	3.1
436.08817	100.0
437.09122	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	435.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68593	0.3
52.27979	0.2
52.28224	0.2
57.03460	0.7
57.85777	0.3
59.01383	100.0
60.01717	1.1
61.98843	2.4
69.47565	2.6
71.01391	1.0
78.95928	0.6
83.11426	0.2
85.02971	0.6
87.00936	0.3
89.02480	0.4
93.03480	1.3
98.20665	0.6
99.04554	0.7
101.02485	0.8
108.02206	0.5
109.02985	0.4
137.02510	1.1
152.01225	0.7
153.01903	0.5
161.04564	0.5
191.05737	1.0
315.18237	0.6
355.71426	0.3
430.50049	0.3
435.09433	1.1
435.26349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86350	0.3
59.01382	100.0
60.01721	1.4
60.77589	0.3
61.98835	12.3
62.45373	0.3
66.01066	0.3
69.70947	2.6
71.01375	1.8
73.02959	0.5
74.99632	0.3
75.00911	0.6
85.02950	0.8
87.04532	1.0
89.02445	0.5
93.03457	1.9
93.29832	0.4
100.36099	0.4
101.02470	1.6
108.02222	1.3
109.03004	1.5
113.02476	0.9
119.05151	0.5
125.02384	0.3
135.04559	0.7
137.02484	2.6
145.03000	1.0
152.01178	1.4
152.73117	0.4
153.02026	0.9
161.04570	0.7
163.04060	0.5
173.04620	0.7
177.01955	0.4
191.05675	0.7
195.28539	0.4
238.08783	1.5
297.06415	0.7
315.07269	0.4
367.61188	0.4
435.09601	2.5
435.21954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03456	100.0
58.03794	2.4
59.01387	80.5
60.01718	1.8
61.98846	1.9
62.51659	0.7
65.94755	0.9
67.59392	0.7
68.42413	0.6
71.01395	15.1
71.62144	1.5
72.99329	0.9
73.02956	7.2
76.57399	0.7
81.03495	2.1
83.01402	4.4
85.02973	8.6
86.00119	0.9
86.11284	0.8
87.00904	0.9
89.02465	1.1
93.03499	2.7
95.01426	1.0
97.02959	0.7
99.00913	2.4
99.04542	88.2
100.04868	2.3
101.02465	37.2
102.02818	1.1
108.02191	0.7
109.03004	1.1
113.02466	6.9
125.02484	21.8
137.02515	3.1
143.03535	2.2
145.31561	0.8
152.01233	1.0
159.03073	2.1
161.04596	5.8
173.04611	3.1
191.05655	6.2
253.95010	0.9
277.89209	0.8
291.18158	30.4
292.18622	3.2
333.19327	2.3
373.22327	1.1
391.21707	0.8
412.81876	0.7
435.09686	1.2
435.22482	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	435.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54549	0.6
58.00585	1.9
59.01410	3.1
60.94729	0.6
63.79287	0.5
66.49715	0.5
67.34312	0.6
69.49642	4.3
69.50049	1.1
69.54603	0.6
71.01381	3.4
73.02934	1.0
73.32440	0.5
76.25861	0.6
78.95924	0.6
81.05075	0.7
85.02956	1.8
87.00897	3.8
88.98803	0.7
93.03519	0.7
96.96021	1.1
101.02471	1.8
103.51255	0.6
112.56738	0.6
113.02477	0.9
118.98115	0.7
119.05100	1.3
121.02968	2.1
122.03754	1.4
123.04532	0.9
130.66649	0.6
135.04553	1.2
145.02998	2.6
147.04572	1.1
149.01251	1.3
149.02469	27.9
150.03253	39.7
151.03613	1.9
159.02936	0.7
161.02489	2.0
161.04602	4.7
162.03320	3.8
163.04054	4.2
164.04832	16.7
165.05597	100.0
166.05948	5.9
173.04651	1.2
177.05608	2.3
180.04323	3.7
191.05637	3.6
195.06648	34.7
196.07051	2.4
327.10889	26.9
328.11282	2.9
337.09360	1.6
339.10956	1.0
357.11911	1.9
375.06906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.13
Annotation	1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
55.01885	0.4
56.93241	0.3
57.03460	0.9
57.38879	0.3
59.01388	1.3
61.98832	0.3
65.00349	0.4
65.11338	0.4
66.06380	0.3
67.01907	0.5
68.99841	0.7
69.03471	1.1
69.52400	0.7
69.52808	2.6
70.05534	0.3
71.01383	0.6
80.02661	0.4
81.03465	9.2
83.01389	3.3
83.54476	0.4
88.90845	0.3
93.03470	4.7
95.01409	0.8
95.05035	10.4
97.02960	4.7
98.19823	0.4
99.04523	4.5
105.03456	0.4
107.01426	0.8
107.05045	0.9
107.18764	0.3
108.02151	0.4
109.02978	0.8
111.04550	0.9
113.02498	0.8
119.05048	6.9
121.02982	1.1
121.06606	0.9
122.03759	0.8
123.04544	14.7
124.04904	0.8
125.02467	20.4
126.02828	0.7
135.04553	1.5
137.02473	2.7
137.06108	11.6
139.04034	3.0
141.05603	0.8
147.04616	1.6
149.02481	0.6
149.06085	0.7
150.03268	0.4
151.00389	0.9
151.04022	0.9
155.03531	1.2
163.00385	0.4
163.04012	0.4
163.07706	0.9
165.05592	7.6
166.02722	0.6
167.03528	47.1
168.03853	2.3
177.05569	0.8
179.03528	8.2
180.04018	0.6
181.05000	1.6
182.00064	0.3
189.05617	4.0
191.03477	0.7
193.01440	0.4
193.05089	1.2
193.90088	0.4
197.04576	3.9
201.37387	0.3
206.02205	0.8
207.02966	0.5
209.04556	14.3
210.04918	1.6
221.04597	2.6
229.08754	0.5
231.06636	0.8
232.10124	0.3
233.04593	0.4
239.05644	1.4
271.02615	0.4
271.09711	0.9
273.03073	0.5
273.07684	7.4
274.08084	0.9
285.07718	2.8
302.03415	1.7
303.04169	1.1
313.07275	0.4
315.08743	100.0
316.09079	13.5
327.08810	1.7
345.09811	26.0
346.10181	3.5
357.09833	1.0
370.07257	0.4
417.11856	1.6
418.12122	0.4
435.08020	0.9
435.13159	5.4
436.13397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1297
Annotation	Phloridzin
Peak:m/z	Relative Intensity
53.80458	0.2
56.84293	0.2
57.03452	1.4
59.01383	1.0
61.98832	1.0
65.00321	1.0
68.99819	0.2
69.03444	0.2
76.90194	0.2
81.02979	0.5
81.03465	10.4
82.03817	0.2
82.31131	0.2
83.01390	4.0
93.03476	7.2
94.03838	0.3
94.73182	0.2
95.01417	0.4
95.05055	0.5
99.04581	0.3
104.36236	0.2
107.01424	0.8
109.02975	0.3
111.04533	0.3
117.35562	0.2
119.05047	9.0
120.05400	0.4
120.68517	0.2
121.02956	0.3
123.04546	27.4
124.04868	1.1
125.02467	14.2
126.02807	0.5
135.04541	1.3
137.02533	0.4
139.04065	0.2
147.04541	0.3
149.02478	1.9
151.00374	2.3
163.04044	0.2
165.01886	0.2
166.02705	0.6
167.03520	75.9
168.03862	3.7
169.06648	0.3
179.03522	7.6
180.03854	0.6
187.07701	0.4
189.05585	1.5
191.03574	1.1
211.07741	0.5
227.03613	0.2
228.03738	0.2
229.04068	0.3
229.08694	1.0
229.58209	0.2
255.02977	0.4
255.06599	0.5
257.03497	0.3
258.03683	0.3
259.03903	0.3
273.07678	100.0
274.08032	8.8
285.03696	0.4
286.04333	0.5
287.04407	0.6
288.04803	0.6
289.05167	0.6
297.07742	0.6
315.08752	0.3
435.12079	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73089	0.3
59.01381	100.0
60.01718	0.8
61.01815	0.3
61.98832	23.5
62.98533	0.3
63.99245	0.3
66.83572	0.3
69.64619	0.9
69.65057	1.3
71.01379	1.6
73.02968	0.5
75.50744	0.3
75.55907	0.3
78.95891	0.3
81.03461	0.5
83.01390	0.5
85.02985	0.4
85.22981	0.3
87.04543	0.8
89.02460	1.6
89.03978	0.3
89.11697	0.2
91.01929	0.3
93.03473	9.4
95.05035	0.8
99.00927	0.4
99.91752	0.3
101.02464	0.9
102.79111	0.3
105.03502	0.4
108.02197	0.8
109.02974	14.4
110.03265	0.3
112.25838	0.2
113.02406	0.5
117.03485	1.2
119.03497	0.4
119.05048	2.2
121.02987	0.9
122.03828	0.3
123.04546	9.7
124.04845	0.5
125.02467	0.7
130.99292	0.2
133.02982	2.0
135.00923	0.3
135.04517	0.8
136.62540	0.2
137.02460	3.1
139.04041	0.3
143.03464	0.2
145.02974	5.7
146.03247	0.3
147.04546	2.7
148.01712	0.3
148.91910	0.3
149.02493	0.7
150.03268	1.0
151.04034	5.5
152.01181	0.5
153.01953	2.3
159.04538	1.1
161.02472	1.4
161.04581	0.6
161.06119	0.6
163.04059	0.7
167.03516	1.9
173.04590	0.6
175.03992	0.6
176.01144	0.7
177.01953	17.1
178.02324	1.0
179.03629	0.4
179.05692	0.3
187.04024	0.9
188.04617	0.4
189.01955	34.1
190.02687	7.7
191.03511	7.8
191.05331	0.5
192.03844	0.6
201.01985	0.4
203.03531	4.6
203.05309	0.5
204.03993	0.5
213.05585	0.3
215.98746	0.5
216.00662	5.1
217.01431	24.5
218.01935	2.5
219.03001	10.1
220.03369	0.6
226.03668	0.3
227.07132	0.5
231.02986	7.0
232.03508	1.0
233.04457	0.4
237.07918	0.3
241.05127	0.8
245.08365	0.3
252.54465	0.3
255.06631	0.4
269.04498	0.6
271.06165	1.7
273.07596	1.8
281.04648	1.4
283.06119	1.1
289.07199	2.4
290.07587	0.3
295.06113	0.3
297.05902	2.3
303.21518	0.3
311.05606	2.8
312.06039	0.5
323.05484	1.5
333.19193	1.1
341.06680	66.9
342.07037	7.5
375.20367	2.2
389.21753	0.3
435.10858	28.3
435.29831	0.5
436.11258	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52867	0.5
57.03437	0.5
59.01384	6.6
61.98832	23.3
65.03961	0.5
69.03477	0.6
70.45019	0.6
70.57919	1.6
71.01391	2.1
73.02947	0.9
75.00880	0.9
81.03487	0.8
83.01419	0.6
85.02969	2.8
85.03424	0.5
87.00900	0.5
89.02449	0.8
93.03471	69.9
94.03811	2.6
95.01420	0.7
97.02937	0.6
101.02438	1.1
105.14940	0.5
107.01392	1.1
107.05009	0.6
108.02190	63.6
109.02997	17.5
110.03353	0.6
113.02474	1.5
115.36708	0.4
117.03444	0.4
117.08853	0.4
117.11870	0.5
119.05083	0.9
121.02972	1.3
123.00900	1.2
125.02481	2.3
133.02975	0.8
135.04581	1.4
137.02467	100.0
137.69016	0.5
138.02808	5.0
151.00386	2.8
151.04039	1.2
152.01178	61.7
153.01971	23.7
161.02423	0.9
163.04028	1.1
165.01961	1.1
173.04568	1.4
173.86340	0.6
177.01965	1.2
179.03539	0.8
180.05478	0.5
181.01483	0.7
191.05713	0.8
195.02988	1.0
200.04732	0.5
217.08817	0.5
271.06116	1.3
272.06485	1.6
273.06689	2.5
297.06177	65.2
298.06497	4.8
303.21695	3.8
315.07193	9.8
316.07538	0.8
434.28708	0.6
435.09293	60.6
435.29517	2.0
436.09552	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	435.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01384	11.8
61.85796	0.3
61.98835	2.5
62.62308	0.4
71.01385	2.1
71.69576	0.4
71.70033	0.8
75.00870	0.4
81.03423	0.4
83.01359	0.6
85.02976	1.0
89.02451	0.7
93.03471	13.1
95.05044	1.4
97.02937	0.5
99.04559	0.7
99.98372	0.4
101.02450	1.4
108.02174	2.7
109.02975	18.4
110.03313	1.1
113.02444	1.0
115.00471	0.5
117.03461	2.0
119.03503	0.5
119.05038	1.9
121.02987	0.9
122.03731	0.5
123.04549	13.9
124.04883	0.7
125.02457	0.7
129.09221	0.5
133.02963	2.9
134.03674	0.4
134.10391	0.4
135.00850	0.6
135.04538	1.6
137.02478	5.3
137.09756	2.1
142.28870	0.4
145.01860	0.7
145.02971	7.0
146.03392	0.5
147.04555	4.0
149.02458	0.9
150.03241	1.2
151.04037	6.3
152.01192	3.0
153.01952	3.1
159.04549	1.7
160.04053	1.2
161.02446	2.2
161.04507	0.9
162.03101	0.7
163.00377	0.5
163.03998	0.9
171.23216	0.4
173.00931	0.5
173.02403	0.6
173.04568	0.9
175.04048	0.9
176.01170	0.9
177.01952	23.9
178.02249	1.6
179.03464	0.7
181.08638	0.5
187.03996	2.0
188.04672	0.5
189.01961	52.5
190.02686	12.0
191.03534	10.2
191.05353	0.9
192.03847	0.5
201.01967	0.5
203.03517	6.8
205.05069	0.7
213.11316	3.7
213.14946	0.5
216.00642	8.1
217.01431	36.2
218.01962	4.1
219.03003	14.4
220.03377	1.1
229.01442	0.7
229.05043	0.5
229.08682	0.6
231.02983	10.7
232.03653	1.2
233.04520	1.2
241.05038	1.3
243.06558	0.6
245.08145	0.5
255.06673	0.5
269.04501	1.3
271.06067	3.3
281.04520	1.8
283.06070	2.0
289.07205	4.2
297.07568	1.5
311.05640	5.0
312.05948	0.7
323.05621	1.2
341.06686	100.0
342.07019	12.0
434.28714	1.1
435.10849	41.1
436.11172	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	435.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86757	0.3
54.52689	0.4
57.03447	0.5
57.49201	0.4
59.01380	8.0
61.98827	2.1
69.03452	1.3
71.01385	2.2
71.09389	0.9
71.43550	0.3
78.95927	0.4
81.03474	0.8
83.01398	0.4
85.02959	2.9
87.00923	0.5
89.02463	1.3
93.03469	64.1
94.03806	2.8
95.01391	0.9
97.02953	1.1
99.00905	0.4
101.02457	1.3
105.68297	0.4
107.05029	1.0
108.02190	46.8
109.02991	17.6
110.03313	1.0
113.02499	0.8
121.02961	0.7
123.00928	1.1
123.04545	1.3
125.02461	2.5
133.03038	0.7
135.04541	1.6
137.02464	100.0
138.02798	4.3
143.54552	0.4
151.00356	1.9
151.04024	1.0
152.01176	60.7
153.01973	18.7
154.02321	0.9
161.02492	0.6
161.04510	0.4
163.04007	1.4
165.01987	0.8
167.03545	0.4
171.62933	0.3
173.04547	0.9
177.01981	0.6
179.03464	1.9
181.01451	1.8
189.01953	0.7
191.05682	0.6
195.03001	0.8
219.97878	0.3
221.02612	0.4
271.02643	0.4
271.05789	0.4
273.07614	0.5
288.05341	0.4
297.06161	56.0
298.06534	5.0
301.02994	0.4
302.03223	0.4
303.21890	1.3
315.07184	7.6
316.07635	0.9
322.10562	0.5
322.76941	0.4
341.06680	1.3
435.09311	54.6
436.09702	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	434.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26018	0.1
57.03450	0.3
59.01381	4.1
60.01722	0.5
61.01817	0.5
61.98833	100.0
62.02130	0.2
62.98542	0.2
71.01392	0.5
71.42541	0.2
73.02948	0.2
74.49823	0.2
76.10498	0.2
78.95910	0.2
85.02943	0.8
89.02464	0.3
92.05058	0.2
93.03511	0.8
101.02444	0.4
108.02214	0.3
109.02974	0.5
119.03585	0.2
119.05079	0.2
125.02461	0.2
135.04526	0.5
137.02464	0.6
152.01198	0.3
153.31589	0.2
161.02501	0.3
162.02028	0.2
173.04564	0.7
179.03520	0.4
191.05687	1.0
243.06715	0.2
271.05115	0.3
272.05667	0.3
277.86719	0.2
434.10742	0.3
435.09491	0.5
435.22009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0937
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
59.01371	5.1
61.98833	17.4
71.01396	1.5
71.47073	1.7
78.40854	1.1
81.03458	1.5
85.02945	1.3
89.79822	1.4
93.03472	60.9
94.03809	2.3
95.01393	2.0
97.22625	1.2
108.02197	61.3
109.02983	23.5
121.02994	1.4
126.44080	1.3
132.67609	1.2
137.02470	86.9
138.02844	4.4
151.04027	1.3
152.01186	81.4
153.01979	32.1
161.02499	1.3
163.04016	1.5
166.97115	1.3
212.93744	1.1
278.64465	1.3
297.06183	18.3
298.06500	1.5
315.07281	17.5
435.09366	100.0
436.09586	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	434.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62361	0.4
54.25837	0.4
55.63805	0.3
61.98835	100.0
70.22063	1.5
70.22480	0.7
93.03502	0.5
111.00929	0.7
134.15044	0.4
135.02988	0.4
156.83080	0.4
173.00940	0.4
178.99408	0.4
181.16020	0.9
187.00233	0.4
197.15546	0.5
206.94681	0.4
208.46857	0.4
209.15562	0.6
221.15559	0.6
237.15071	1.3
265.14465	1.3
284.76712	0.5
293.13974	9.6
294.14313	1.2
371.16977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97617	0.3
51.84123	0.3
54.15528	0.3
61.98835	100.0
71.46706	0.4
80.28576	0.3
96.33636	0.4
112.98843	0.7
130.88515	0.4
135.03058	0.4
161.12589	0.4
181.16045	1.0
237.15138	0.9
249.14864	0.5
265.14536	1.4
293.13965	9.7
294.14410	1.3
325.16809	0.7
371.17654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.7
59.01383	20.7
61.66246	0.7
61.98835	100.0
64.69288	0.7
71.01380	1.8
71.02501	2.4
73.02950	1.4
85.02979	1.3
93.03496	3.1
99.04545	2.4
101.02476	2.9
107.51875	0.6
108.02216	1.7
109.02978	7.5
111.02785	0.7
113.02496	1.0
124.30430	0.8
125.02479	0.9
133.02956	1.1
135.04552	9.9
137.02469	3.4
145.03011	1.1
152.01207	2.4
153.02025	1.7
159.04547	1.4
161.02463	1.3
161.04718	0.8
163.04027	1.5
164.01810	0.7
173.04596	1.0
177.01947	13.0
189.01956	27.9
191.05669	1.5
203.03535	10.4
238.08797	1.0
272.02805	1.2
272.09268	5.4
287.05630	1.1
299.05585	10.8
301.03262	2.0
302.03891	1.4
325.07169	4.3
325.83588	0.8
390.09555	0.8
434.08203	1.6
434.15189	0.8
435.10690	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	433.2361
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01371	0.7
61.98838	0.5
62.96398	0.2
69.52626	0.6
69.53057	0.9
77.11148	0.2
78.95911	56.8
94.98599	0.2
96.96975	6.6
138.97823	0.2
150.98045	1.6
152.99609	100.0
153.99944	2.0
171.00652	3.8
279.23141	1.1
433.23605	10.5
434.23941	1.7
451.37143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
70.57565	0.6
70.57983	0.3
78.95912	69.6
79.93085	0.2
85.73464	0.2
92.36316	0.2
96.96977	5.6
98.20030	0.2
111.05320	0.2
150.98038	1.6
152.99609	100.0
153.99927	1.6
171.00627	2.7
189.28816	0.2
279.23309	1.8
280.23743	0.3
370.13351	0.2
433.23593	17.9
434.24020	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	434.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.5
59.01374	2.7
61.98769	0.3
62.29779	0.2
63.00203	0.3
67.01830	0.8
69.03381	0.3
71.01332	0.9
71.41730	0.3
71.42064	0.3
72.48087	0.2
73.02901	0.3
74.67655	0.2
78.95898	0.2
81.03439	0.6
85.02959	1.3
87.00890	1.2
88.98701	0.2
89.02399	0.7
90.41150	0.3
93.03473	4.4
94.03768	0.3
94.35853	0.2
96.95461	0.2
96.96014	3.4
96.96930	0.5
99.04464	1.0
99.92552	0.3
101.02400	0.4
106.04187	0.3
107.01375	0.4
108.02151	0.7
109.02972	27.1
110.03254	0.8
111.04465	0.9
113.02409	0.5
113.92601	0.3
115.00350	0.3
115.92019	0.4
119.04993	0.5
121.02947	0.3
123.00843	0.5
123.04525	0.6
125.02406	0.8
127.04002	0.4
133.02908	0.7
135.00903	1.3
135.04539	3.2
136.04001	0.9
136.07698	7.2
137.02400	1.0
137.08012	0.3
138.05588	0.6
143.96883	0.3
149.05945	0.2
150.48369	0.2
151.03952	0.3
152.03557	12.6
153.03799	0.4
155.03488	0.6
159.04497	0.4
161.02464	2.9
161.04486	0.5
163.04016	0.4
164.03558	8.2
165.03828	0.7
173.04582	7.1
174.04886	0.3
179.03528	2.0
191.05624	11.9
192.05858	0.6
198.08377	0.2
242.05695	0.3
243.06689	0.4
260.05069	0.3
262.96466	0.4
272.09277	100.0
273.09641	10.5
273.12628	0.6
278.80814	0.2
286.06015	0.3
337.09329	1.5
347.07739	0.6
347.57739	0.5
353.08722	2.1
353.58688	0.3
354.09183	0.3
373.08752	0.6
405.10220	0.3
434.14801	12.3
434.60510	0.4
435.15109	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.5
57.03452	100.0
58.03782	2.1
59.01383	87.8
60.01723	0.9
61.98832	5.1
71.01389	20.9
72.99339	1.1
73.02962	6.2
75.80843	0.6
79.52116	0.6
81.03470	1.6
83.01398	4.8
85.02973	10.4
87.00922	1.1
89.02459	0.9
93.03438	1.5
95.01400	1.7
99.00928	3.4
99.04537	81.3
100.04895	2.1
101.02464	27.8
109.02985	0.7
113.02464	8.0
125.02473	21.4
126.02805	1.0
137.02486	1.1
143.03551	1.3
145.02853	0.7
151.00406	1.0
159.03035	1.3
161.04607	6.1
173.04619	0.8
177.02190	0.6
179.03456	0.9
191.05675	0.7
211.04373	0.7
217.46669	0.7
230.19022	1.2
243.02995	1.1
255.03012	3.0
256.13477	0.8
257.03531	0.7
271.02567	4.7
284.03036	0.9
285.03201	1.4
289.16592	21.2
290.17041	1.8
298.04831	0.9
299.05463	1.1
300.02652	6.1
301.03552	3.0
301.06583	1.3
331.17755	1.3
416.38705	0.8
433.07590	5.1
433.20602	3.3
434.08405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
57.03445	0.3
59.01382	100.0
60.01712	1.1
61.98846	1.5
70.61543	1.2
71.01390	4.1
73.02945	1.9
83.01414	0.6
85.02957	1.6
89.02470	2.0
93.03474	0.4
95.01403	0.4
101.02456	3.9
101.02970	0.3
108.02217	0.3
109.02966	0.4
113.02481	1.6
119.03549	1.0
125.02485	0.3
131.03549	0.3
135.08252	0.4
137.02530	0.4
138.02769	0.3
149.02496	0.4
151.00385	0.4
152.01289	0.4
153.09138	0.3
161.04594	1.4
179.05548	0.3
191.05719	0.3
211.09813	0.6
233.44733	0.3
255.02925	0.4
271.02576	1.0
286.03918	0.4
300.02698	1.4
301.03543	0.8
313.16669	1.6
331.17633	6.4
332.18103	0.5
373.18665	2.6
374.19162	0.5
433.07584	0.6
433.11917	0.3
433.28214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03456	1.7
58.00598	0.3
59.01383	100.0
59.95800	0.3
60.01724	1.5
61.01814	0.6
61.98835	33.8
65.00338	0.5
71.01393	7.0
71.01761	0.5
71.71574	0.4
72.99328	0.7
73.02962	2.1
78.95925	0.3
83.01414	1.3
83.83089	0.3
85.02958	2.8
87.00896	0.6
89.02460	3.6
93.03474	0.6
95.01418	0.7
96.17844	0.3
99.00907	0.9
99.04556	1.1
101.02468	7.0
101.06120	0.5
102.02850	0.4
107.91638	0.3
108.02205	2.2
109.03020	1.3
110.00124	2.2
113.02474	3.0
119.03573	0.9
123.00935	0.4
124.01711	0.7
125.02509	0.8
135.04549	0.4
137.02480	0.4
137.99648	0.6
139.00443	0.6
143.03551	0.7
149.04642	0.6
151.00462	0.6
152.01163	2.0
153.01961	0.4
159.03178	0.4
161.04579	2.5
165.99159	1.2
185.06174	0.5
191.05782	0.6
213.05693	0.4
225.05551	0.4
227.07166	0.4
243.03110	0.4
243.06615	3.4
244.06976	0.4
253.05096	0.6
255.03151	1.4
270.05289	1.5
271.02740	2.1
271.06088	13.0
272.06561	0.9
272.09372	0.7
283.09909	0.7
300.02783	4.6
301.03378	2.2
313.16562	4.5
313.19672	0.3
314.17007	0.5
331.17630	11.5
332.18185	1.2
365.98257	0.3
373.18628	2.8
374.19055	0.6
433.11832	10.3
433.23376	0.6
433.28851	0.6
434.12277	1.4
449.07645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60600	0.4
55.01878	0.9
56.90095	0.5
57.03455	0.8
58.00594	1.0
59.01382	78.2
60.01728	1.0
60.17943	0.5
61.98833	3.3
62.52147	0.5
67.77856	0.4
68.86304	0.4
70.66896	1.4
70.67248	0.8
71.01392	6.7
72.71008	0.5
72.99300	0.7
73.02959	1.1
79.88276	0.4
83.01404	0.5
83.12185	0.6
85.02962	2.9
87.00901	0.8
87.04526	0.9
89.02464	4.3
93.03484	1.1
94.04263	2.8
95.01406	2.0
100.23915	0.5
101.02465	5.1
107.08675	1.3
109.02992	1.1
111.04568	0.8
113.02467	8.8
113.06094	1.7
117.07152	0.4
119.03514	3.0
120.05847	4.7
125.02473	0.9
135.08189	100.0
136.08531	5.7
139.80782	0.6
149.09740	1.0
151.00414	1.2
152.03656	1.1
161.04568	1.9
161.05969	0.6
167.10802	15.5
168.11076	0.8
170.55963	0.4
177.09227	0.9
191.05646	1.4
191.10771	0.7
193.08720	2.8
207.10312	0.6
211.09784	26.0
212.10117	1.8
227.03516	0.9
243.14180	0.5
253.10797	1.0
255.02992	1.3
271.02444	2.2
274.13535	0.5
278.79175	0.5
283.11942	0.6
286.03897	0.6
300.02664	4.3
301.03506	1.8
433.07291	3.0
433.28317	1.7
434.29034	0.6
439.61917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.0
61.57469	0.6
61.98839	1.3
63.02404	2.4
65.00327	8.7
69.03450	0.7
69.73837	1.4
69.74255	3.7
71.01394	2.0
73.02953	0.7
79.01917	1.4
81.03452	3.0
83.01387	6.3
87.00916	1.2
89.02458	1.0
93.03475	9.5
95.01418	2.0
95.05066	1.1
97.02970	5.2
97.06575	0.7
98.14877	0.7
99.00899	0.8
101.02480	1.5
105.03497	1.9
107.01407	12.6
109.02967	2.1
111.04546	1.1
113.02455	0.8
117.03481	1.2
119.05049	53.7
120.05376	3.0
121.02985	4.8
123.00937	1.5
123.04548	0.7
125.01635	0.7
125.02468	14.9
125.06084	0.8
129.26923	0.6
133.03003	2.3
135.00945	0.9
135.04549	2.0
137.02466	4.4
139.04079	0.9
143.05037	4.0
145.02969	5.0
149.02484	6.6
151.00400	40.4
151.04088	0.8
152.00735	1.5
155.03523	1.5
155.10840	0.7
157.06654	0.7
158.03790	1.0
159.04449	0.9
161.02458	2.7
161.06091	1.5
163.00375	5.3
163.04018	2.0
164.01163	1.5
165.01956	12.0
166.02354	0.9
167.03554	3.1
169.01439	3.2
173.04588	2.9
173.05942	0.7
177.01929	4.6
178.02322	0.9
179.03511	2.8
185.06096	3.0
186.03331	1.5
187.04010	4.4
187.72961	0.7
189.01965	0.9
191.03688	1.7
191.05635	4.2
193.01443	26.1
194.01811	1.3
199.03929	0.7
199.07684	1.5
205.01430	2.0
207.03036	2.4
211.02536	1.4
214.02800	2.9
219.03009	2.7
223.02487	4.1
227.07146	2.9
229.05086	0.7
241.01433	15.4
241.08607	0.7
242.02118	3.6
243.02878	1.1
245.00943	7.3
246.15521	0.7
269.08289	1.4
270.01691	16.9
271.02530	4.2
271.06107	50.4
272.06534	5.1
274.22714	0.7
283.06024	3.0
284.06671	0.8
285.06799	0.8
295.06064	0.9
311.05679	0.9
312.06000	1.0
313.07199	100.0
314.07550	9.1
325.07086	1.7
339.05133	0.8
343.04004	1.2
343.08249	24.3
344.08572	2.5
355.08298	0.9
389.26038	0.8
415.10162	1.8
433.07281	13.2
433.11548	20.2
433.20560	0.8
433.23676	0.6
434.07697	2.0
434.12015	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1145
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
54.09536	0.5
56.50600	0.4
57.03434	1.5
59.01382	10.5
60.90855	0.5
61.11904	0.4
61.63050	0.5
61.98838	10.7
63.02409	5.4
65.00332	11.8
68.99807	0.8
69.37571	2.5
69.37998	2.8
71.01382	1.2
81.03504	0.6
83.01398	8.8
85.02962	0.7
87.00918	0.5
89.02419	0.9
93.03477	9.1
95.01392	1.3
96.02193	0.8
97.02964	0.8
101.02460	0.8
103.04044	0.6
107.00711	1.1
107.01414	20.4
109.02963	1.6
110.00082	0.6
111.00890	2.7
117.03489	1.8
119.05049	36.5
120.05389	1.8
121.02966	0.9
123.00913	2.7
123.04577	0.9
124.00836	0.9
124.01689	12.2
125.01626	0.8
125.02476	13.5
133.02951	1.0
134.03781	2.3
135.04556	5.6
136.01704	0.5
137.02483	1.2
139.00429	3.0
141.01953	1.8
145.03056	0.7
148.01657	0.5
149.02467	1.0
151.00400	70.5
152.01186	79.6
152.03593	2.9
153.01558	3.7
154.56026	0.5
155.88574	0.4
159.04561	0.8
161.02380	0.5
164.01129	0.6
165.02003	2.3
165.05574	2.0
169.01468	5.0
169.06683	0.6
172.05302	0.8
173.04701	0.8
173.06125	1.6
175.00366	1.6
177.01971	6.5
177.05550	1.0
178.99884	83.3
180.00243	5.4
181.06493	0.5
183.04597	0.5
183.88956	0.5
185.06203	0.6
191.05594	0.7
192.00708	0.5
193.01439	1.6
196.05374	0.7
197.06010	1.0
201.05612	1.4
204.49518	0.5
215.07169	2.0
225.05618	2.4
226.02769	0.6
227.03535	0.7
227.07230	0.6
229.04900	0.5
241.05043	1.0
243.02925	1.3
243.06670	1.5
255.02931	3.2
259.06113	23.6
260.06509	1.8
268.03778	0.6
269.04547	65.1
270.04865	8.2
271.02747	7.5
271.06113	100.0
272.06454	8.8
272.09378	0.8
286.04858	11.5
287.05609	22.7
288.06104	2.0
295.06332	0.9
300.02765	11.6
300.05948	0.7
301.03543	6.3
302.04224	0.5
313.07388	2.2
433.11685	57.7
433.28183	1.3
434.06537	0.7
434.11850	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	433.078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29075	1.6
58.97031	1.5
59.01382	23.4
63.02394	2.3
65.00324	2.3
71.53226	4.0
73.58884	1.7
83.01401	1.9
87.10207	1.7
107.01377	4.1
109.02956	6.1
110.61305	1.6
121.02966	5.3
151.00369	18.9
163.00383	3.7
174.58875	1.5
178.99788	8.0
223.02988	1.5
227.03380	2.8
243.02985	8.2
245.04597	2.8
255.02959	19.1
256.03464	2.8
271.02460	38.3
271.07913	4.8
272.02875	5.4
273.03995	2.6
283.02591	3.0
300.02780	64.9
301.03516	100.0
302.03735	9.0
331.88947	1.8
340.67722	1.8
433.07739	49.5
434.08066	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39276	0.4
57.03403	0.4
59.01293	4.8
61.98777	0.6
65.00242	3.1
69.03395	0.7
69.66051	3.3
71.01319	1.0
72.84615	0.4
74.52075	0.4
75.00814	1.0
78.95830	0.5
79.01814	0.9
81.03365	2.7
83.01295	2.5
85.02911	0.9
88.98715	1.8
93.03364	7.2
95.01294	1.1
95.04967	0.7
96.00341	0.4
96.96027	3.2
97.02856	4.1
101.02377	0.6
105.03461	2.2
107.01417	4.5
109.02980	2.8
111.04426	0.6
113.02339	0.7
117.03339	0.4
119.05050	34.1
119.05863	1.4
120.05308	1.3
121.02982	5.5
123.00909	1.9
123.04426	1.5
125.02467	14.1
125.03318	0.6
126.02753	0.5
133.02856	1.6
135.04553	2.8
136.01591	0.9
137.02457	5.0
143.05034	3.5
145.02972	2.4
149.02472	5.2
150.02824	0.5
151.00397	11.4
151.03906	0.7
153.01866	0.7
153.05420	0.5
155.03386	1.6
157.06494	0.5
161.02481	2.8
161.05989	1.6
163.00400	5.5
163.03923	1.4
164.01039	1.4
165.01955	9.9
167.03525	3.4
173.04605	3.6
175.03992	0.4
177.01964	3.0
179.03514	3.4
181.01396	0.5
185.05983	1.6
187.04015	3.9
188.04257	0.4
190.99940	0.5
191.03380	1.7
191.05534	3.9
193.01440	25.4
194.01680	1.1
197.04329	0.5
199.07588	0.8
203.07169	0.5
205.01439	2.0
207.02925	1.6
211.05965	2.0
217.01128	0.4
219.03030	2.1
223.02470	3.6
225.05553	0.4
227.07088	2.0
228.07591	0.5
229.01526	0.6
229.04988	1.3
241.08815	1.0
243.06595	0.7
245.08095	0.9
255.02858	0.7
269.08151	1.7
269.51337	0.5
270.07751	0.6
271.05951	8.6
272.06512	0.5
272.09149	2.0
283.06204	2.5
285.07672	0.7
295.06055	0.6
311.05505	0.9
313.07184	100.0
314.07510	9.9
325.07291	1.8
335.07950	0.7
343.08264	24.8
344.08643	3.4
352.08051	0.6
353.08972	1.6
355.08340	1.3
358.20496	0.5
373.09662	0.5
385.08969	0.5
397.09232	0.5
415.10449	1.7
433.11630	21.7
434.11792	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	432.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20606	0.9
59.01373	2.0
61.98834	100.0
63.73505	0.9
71.39735	2.2
92.82680	1.0
104.70781	1.1
246.22723	1.1
316.22784	1.0
325.31219	1.1
389.30264	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00247	0.3
59.01377	1.1
61.63348	0.3
63.02427	0.4
65.00340	0.5
69.25168	0.3
69.58067	2.7
77.79956	0.3
83.01412	0.6
83.43719	0.3
107.01403	1.9
108.02197	1.3
109.02958	0.9
117.83693	0.3
121.03008	1.2
128.16289	0.3
135.00882	0.5
148.01709	1.0
148.51859	0.4
149.02489	0.4
151.00395	6.7
163.00388	1.5
164.01231	0.5
171.19749	0.4
178.99872	3.3
187.04077	0.4
192.00653	0.6
198.03304	0.4
199.03958	0.6
208.74507	0.4
211.04068	0.9
212.13446	0.4
214.11501	0.4
215.03497	0.8
216.04242	0.5
226.02725	1.4
227.03590	2.4
227.07210	0.9
243.02992	10.8
244.03403	1.4
245.04552	1.0
253.04935	0.9
254.02193	2.5
255.03000	22.7
256.03412	2.4
271.02475	51.1
272.02881	5.4
273.03848	0.7
283.02539	0.6
299.01974	1.4
300.02768	100.0
301.03400	30.9
302.03873	3.1
304.65656	0.5
364.48456	0.5
433.07751	54.7
434.08081	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	433.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
61.98823	1.2
64.69711	0.4
65.00328	0.8
70.46270	0.6
70.46622	1.4
75.13486	0.5
76.56274	0.4
77.44450	0.4
79.58633	0.4
83.01405	0.7
84.50611	0.4
106.08694	0.4
107.01396	1.9
108.02184	1.5
109.02957	1.4
121.02972	1.6
135.00893	0.8
147.71324	0.4
148.01703	1.2
149.02446	0.4
151.00400	8.7
159.04486	0.4
163.00406	2.0
169.01466	0.8
178.99860	5.6
183.04504	0.6
199.04002	0.6
203.03610	0.5
207.28304	0.4
211.04016	1.2
226.02744	1.6
227.03531	2.5
229.05035	0.9
243.02997	10.4
244.03468	0.8
245.04593	1.0
254.02222	2.5
255.02991	22.0
256.03448	2.3
271.02469	48.1
272.02902	5.5
283.02585	1.3
299.01981	1.2
300.02771	100.0
301.03482	52.3
302.03903	4.9
433.07773	73.1
434.08054	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	432.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01382	5.0
60.01712	0.4
60.44246	0.1
60.86886	0.2
61.98834	100.0
62.98555	0.1
69.79023	1.1
71.01392	1.4
72.99325	0.2
78.95916	0.5
83.01419	0.2
85.02972	0.4
87.00887	1.1
88.98840	0.3
89.02473	0.7
93.03481	0.7
94.98128	0.5
96.96057	0.2
98.19892	0.2
99.04523	0.2
101.02469	0.5
108.02220	0.5
108.94624	0.2
109.03002	1.4
110.03378	0.2
111.04575	0.2
115.00385	2.2
119.03585	0.2
122.03822	0.2
123.04562	0.4
125.02454	2.2
125.49306	0.2
133.03035	0.3
135.04565	0.3
137.02513	0.4
151.04073	0.9
152.01245	0.2
153.01935	0.6
154.02332	0.4
155.03520	0.3
161.02455	0.8
161.04570	0.2
162.05643	0.2
173.04619	1.4
175.02509	8.7
176.02893	0.3
179.03590	0.6
191.05623	1.5
238.01917	0.2
287.05649	0.3
289.07300	0.6
295.06110	0.2
432.12622	1.3
433.22241	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82582	0.2
51.49826	0.2
57.05949	0.2
59.01382	11.7
60.01716	0.6
61.01804	0.3
61.98834	100.0
65.00339	0.5
69.42062	1.3
69.42492	0.6
71.01399	1.0
73.02959	0.3
83.01415	0.4
85.02988	0.3
89.02467	0.8
93.03478	0.9
99.04515	0.2
101.02497	0.6
102.98588	0.2
107.01405	0.6
108.02192	0.3
108.80470	0.2
109.02952	1.0
111.04530	0.2
121.02998	0.6
123.04553	0.3
135.04572	0.3
137.02496	0.3
148.01624	0.2
149.02527	0.2
151.00375	2.7
151.04065	0.6
161.02464	0.2
161.04660	0.3
163.00426	0.7
167.03566	0.2
173.04611	0.6
178.99884	1.5
179.03479	0.2
191.05589	1.2
191.75894	0.2
192.00726	0.3
192.06030	0.4
199.04013	0.3
211.03987	0.4
214.02733	0.3
215.03470	0.3
226.02611	0.4
227.03596	0.5
227.07208	0.4
229.05081	0.3
241.01413	0.3
242.01859	0.5
243.02937	1.9
245.00986	0.2
245.04585	0.4
252.06577	0.2
254.02193	0.4
254.51718	0.2
255.02975	4.6
258.08575	0.3
269.04269	0.4
270.07672	0.2
271.02444	11.9
272.03152	0.3
273.04041	0.4
274.92606	0.2
283.02533	0.4
299.02014	0.7
300.02759	20.0
301.00394	0.2
301.03546	11.6
432.06479	0.8
433.07742	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	431.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
57.03465	1.3
59.01382	100.0
60.01705	1.2
61.98835	1.2
65.03981	0.3
67.21181	0.2
70.85771	0.5
71.01388	9.0
71.05056	0.5
72.99310	0.4
73.02946	1.5
75.00806	0.3
78.95904	2.0
83.01415	0.6
83.05048	0.7
84.95728	0.2
85.02956	2.5
87.00893	0.7
88.98811	1.4
89.02451	7.5
93.03467	5.7
95.01430	0.8
97.02968	0.3
97.81074	0.2
99.00899	0.7
99.04545	0.5
101.02455	5.2
101.03082	0.4
103.12105	0.2
105.03516	0.3
108.02189	0.4
109.02989	0.9
111.04537	1.6
113.02475	4.3
114.02726	0.2
119.03516	3.0
121.02974	0.3
125.02498	1.0
131.03526	0.4
133.02954	1.9
134.03777	1.1
134.04781	0.6
135.04538	1.7
135.74379	0.2
137.02478	4.7
137.09763	1.2
138.02844	0.3
139.11356	0.9
143.03548	0.9
146.21811	0.2
149.04527	0.2
151.00409	0.2
152.01176	0.4
153.01959	0.3
155.02324	0.2
155.03516	3.7
159.03056	0.5
161.02533	0.4
161.04585	6.0
162.04913	0.3
173.04582	2.3
177.02061	0.5
178.02760	0.6
179.00029	0.3
179.03566	0.8
179.05678	4.5
182.36653	0.2
183.04625	0.2
187.04059	0.3
191.05646	2.0
191.14476	0.3
203.10814	0.3
209.15468	3.0
211.04152	0.3
213.09261	0.9
227.03496	2.6
227.07236	0.5
228.08054	0.3
229.05136	0.5
231.10233	1.1
241.01610	0.4
242.02278	0.4
255.02950	3.1
256.03659	0.7
257.04681	0.3
257.08279	1.2
258.05893	0.2
270.01672	0.6
271.02716	0.6
275.09167	1.8
284.03265	3.2
284.05991	0.3
285.04034	5.2
286.04608	0.5
295.05536	0.3
298.01108	0.3
311.05963	0.3
333.06381	0.8
334.06900	2.2
335.07623	0.3
371.20782	7.5
372.21292	0.8
431.09637	3.5
431.21667	0.4
431.27206	1.8
432.10175	0.5
432.27115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01383	10.9
61.98835	6.6
67.01907	1.8
68.99812	1.8
69.03456	3.2
69.97935	1.0
71.01382	3.1
71.05016	2.1
72.99310	16.1
75.00877	19.8
78.95912	69.7
81.03468	2.2
83.01404	1.3
85.02961	3.1
86.21033	0.9
87.00896	2.4
89.02458	3.9
93.03480	1.3
95.01412	2.4
96.96970	5.3
97.02964	3.7
98.19892	3.5
99.00889	2.8
103.00465	1.0
107.71881	0.9
108.02184	1.4
109.02953	1.3
109.36793	0.9
111.00910	2.0
112.98815	7.1
113.02429	1.2
117.01982	1.8
121.02972	1.0
123.00912	2.2
124.01716	2.3
125.02475	6.4
130.99924	5.4
135.03021	52.4
136.03284	1.3
139.10936	0.9
140.33775	1.0
142.99927	7.3
150.98006	2.3
152.01222	1.2
152.99612	100.0
153.99890	1.2
167.50481	1.0
171.00638	1.9
173.00923	2.5
179.18086	1.0
181.15988	2.1
195.78249	0.9
207.17531	3.3
209.19118	16.8
210.19528	1.3
221.19122	9.5
223.17043	8.8
223.20651	1.2
225.18582	5.8
233.19051	1.6
237.18626	5.2
249.18568	5.4
253.18129	3.2
261.18466	2.7
263.16605	1.1
265.18079	16.6
277.18127	13.7
277.21460	2.0
278.18472	1.6
279.19653	7.4
285.03885	1.3
293.17584	48.4
294.17950	4.7
295.19318	4.4
307.19156	39.0
308.19525	3.6
309.20746	1.3
313.20047	1.3
321.17114	9.8
323.46185	1.4
325.20261	1.3
337.20154	1.1
353.19714	3.0
355.21054	1.0
431.22095	12.2
432.22223	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36874	0.3
57.03444	1.3
58.00594	0.5
59.01382	100.0
60.01726	1.2
60.99313	0.6
61.98832	1.9
69.50964	2.0
69.51391	0.9
71.01389	10.6
71.05018	0.3
72.99324	0.9
73.02972	1.4
78.95910	0.8
81.03490	0.4
83.01424	0.8
83.05052	1.0
85.02963	2.3
87.00938	0.7
88.98815	2.5
89.02455	12.1
93.03474	6.3
93.03992	0.4
95.01445	0.5
99.00949	0.4
99.04549	0.7
101.01807	0.4
101.02454	6.0
107.01469	0.6
109.03029	0.7
111.04543	1.8
113.02471	5.2
114.02811	0.3
119.03519	5.5
121.03073	0.9
125.02515	0.8
131.03598	0.5
133.03014	0.8
134.03789	0.9
135.04620	1.0
137.02478	3.0
137.09810	0.6
143.03526	1.6
146.03809	0.7
147.04564	0.6
148.05302	4.9
149.04642	0.5
149.05695	0.4
150.03279	0.4
151.00485	0.6
155.03578	1.7
159.04608	0.7
161.02545	0.4
161.04608	2.9
161.05643	0.3
162.03337	1.2
163.00589	0.3
163.04140	0.4
165.02020	0.5
172.05443	1.0
173.04688	0.9
173.06158	0.5
174.03375	0.9
174.06888	2.4
177.02063	0.5
178.02846	0.6
179.03615	0.6
179.04024	0.5
179.05637	8.7
180.04427	1.2
183.04668	0.4
185.02530	0.4
187.04141	0.5
187.07878	1.1
191.05826	1.4
191.14543	0.4
200.04945	0.4
201.09454	1.1
203.10794	16.5
204.11250	1.4
211.04088	0.4
211.07948	0.4
213.05620	0.7
213.09383	0.6
214.02997	0.3
215.07263	0.6
216.07802	0.3
227.03513	6.3
227.07164	0.6
228.04135	1.0
229.05173	1.6
229.08710	3.0
230.09222	0.5
231.06911	0.6
231.10252	2.7
241.01660	0.9
241.05258	0.4
245.01196	0.4
247.09776	5.3
248.10413	0.3
255.02991	8.6
256.03384	1.6
257.04816	0.6
257.05365	0.7
257.08197	4.2
258.08682	0.4
268.04105	0.5
269.04684	0.4
270.02023	0.9
271.02615	0.7
275.09268	15.0
276.09613	1.7
283.06381	0.4
284.03265	8.2
285.04028	14.1
286.04370	1.7
287.22629	1.0
298.01273	0.5
299.02188	0.7
311.05957	0.6
334.07440	1.4
353.20276	1.1
371.20792	3.2
387.28201	0.5
431.14291	17.5
431.26721	6.0
432.14563	3.3
432.27774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
57.03458	0.6
58.00589	0.2
59.01382	100.0
60.01717	1.2
60.99331	0.3
61.98832	2.1
65.03947	0.3
66.37441	0.2
67.49815	0.2
69.03458	0.5
70.07212	0.4
70.07626	0.9
71.01390	10.8
72.99308	0.4
73.02953	3.4
81.03455	0.5
83.01404	1.7
83.05061	0.6
83.96568	0.2
85.02962	4.9
86.69189	0.2
87.00904	0.7
88.98838	0.7
89.02451	2.8
93.03478	5.0
95.01408	1.0
97.02990	0.3
99.00891	1.6
99.04559	0.2
101.01783	0.5
101.02461	8.9
109.02996	0.7
111.04530	1.7
112.44018	0.2
113.02460	4.7
116.05108	0.3
119.03497	1.4
129.01970	0.4
134.01682	0.3
134.02470	1.3
137.02501	2.2
143.03589	0.8
146.03772	0.4
149.04648	0.2
149.06123	0.4
151.07747	0.2
153.00153	0.3
153.02000	0.3
154.01009	0.8
155.03551	1.4
158.03784	0.5
159.03052	1.4
159.04604	1.2
159.08231	0.3
161.02528	0.3
161.04587	8.4
161.05801	0.3
162.05000	0.2
172.05324	4.3
173.04599	1.0
173.06134	1.6
174.06615	0.2
175.07698	0.3
179.03537	0.3
179.05743	0.4
183.04604	0.9
184.05296	0.4
185.06047	0.4
187.04160	1.8
187.07664	27.8
188.04745	0.4
188.06418	0.4
188.07996	2.6
189.05606	0.7
191.05724	0.5
197.06097	0.3
199.04138	0.6
200.04877	0.8
201.05574	2.1
202.06380	2.5
203.06918	0.3
203.10736	0.5
204.04298	0.8
205.03568	0.3
209.15556	0.9
211.07706	0.3
213.09216	3.5
213.11067	0.3
214.09657	0.3
215.07124	3.7
216.07669	0.6
225.04376	0.2
227.03569	1.0
228.04260	0.4
229.05031	0.3
229.08733	1.8
230.09425	0.3
231.06647	22.3
231.10179	6.9
232.06967	2.3
232.10652	0.8
241.01569	0.6
245.01047	0.4
245.04520	0.3
247.09775	0.2
257.08203	6.0
258.08441	0.5
268.03693	0.5
269.04568	0.3
269.17758	0.4
270.01807	0.6
270.07806	0.4
271.02618	0.5
275.09271	5.1
276.09583	0.7
285.04211	0.3
287.06305	0.6
298.01288	0.4
299.01819	0.4
302.08844	0.8
311.57196	0.3
371.20767	20.9
372.21005	2.9
372.24747	0.2
387.10870	11.8
388.11313	1.9
431.06415	0.8
431.13632	4.1
431.22717	4.2
432.06827	0.3
432.14005	0.7
432.23355	0.5
437.02570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
57.03456	0.2
58.00585	0.1
59.01380	100.0
60.01710	1.4
60.02005	0.2
61.98838	0.7
63.02406	0.4
69.22556	0.1
69.97184	0.8
71.01389	5.0
72.01714	0.1
72.99315	0.3
73.02955	1.0
75.00864	0.1
75.64468	0.1
78.57988	0.1
83.01415	0.5
84.61978	0.2
85.02959	1.7
85.03373	0.1
87.00925	0.2
88.98832	0.2
89.02452	5.4
89.02988	0.3
93.03494	0.3
95.01392	0.3
98.20512	0.3
99.00878	0.2
99.79530	0.1
101.02461	3.7
102.02775	0.2
102.98624	0.4
107.01427	0.6
113.02458	2.3
117.03494	1.1
119.03519	2.7
119.04307	0.2
125.02482	0.2
128.62619	0.2
131.03511	0.4
142.15074	0.1
143.03517	0.8
149.02452	0.4
149.04544	0.2
151.00397	0.4
151.04138	0.2
159.04587	0.4
161.02504	0.3
161.04582	1.8
168.03299	0.1
169.06656	0.2
173.04602	0.1
179.05640	1.9
183.04553	0.4
191.05692	0.3
196.05261	0.2
197.06046	0.3
201.05618	0.3
224.04950	0.2
225.05621	0.6
231.10179	0.1
268.03906	0.2
269.04532	13.2
270.04874	1.5
283.06131	0.5
300.94537	0.1
311.05618	0.9
341.06567	0.2
371.20749	1.1
372.21225	0.2
431.09824	7.4
431.22610	0.4
432.10095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.16721	0.2
59.01373	0.7
61.98815	0.2
62.33501	0.1
71.30519	0.1
78.95912	53.1
96.96983	5.8
98.20249	1.4
150.98024	1.7
152.99612	100.0
153.99942	1.8
171.00670	3.8
230.27727	0.2
250.15579	0.2
255.65765	0.1
277.21802	0.6
328.28381	0.2
431.22055	7.3
432.22348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
59.59269	0.2
60.02872	0.2
61.98818	0.4
62.96415	0.3
64.67754	0.2
66.38246	0.2
71.18739	0.5
76.87665	0.2
78.95912	75.9
96.96352	0.3
96.96982	5.6
97.87675	0.2
107.53972	0.2
150.98024	1.1
152.99611	100.0
153.99940	1.9
169.98213	0.2
171.00662	3.0
277.21729	0.7
293.17584	0.3
296.12677	0.2
431.22073	15.5
432.22388	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	431.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64320	0.3
57.03445	2.5
59.01381	100.0
60.01714	0.9
61.98835	22.4
66.78949	0.4
68.80605	0.4
71.01383	4.2
71.70584	0.5
72.99336	0.4
73.02957	1.1
74.39748	0.4
79.11482	0.4
81.03485	0.7
83.01390	0.9
85.02952	1.9
87.00895	1.9
88.98808	2.3
89.02460	3.9
93.03479	3.1
95.01415	0.4
95.12460	0.4
96.22096	0.4
96.96063	0.5
97.02988	0.6
99.00933	0.5
99.04563	1.4
99.17496	0.4
101.02469	2.6
108.02184	3.9
109.02969	3.4
111.63395	0.3
113.02480	1.6
115.00407	0.8
119.03503	1.8
120.04556	0.4
121.02993	1.1
123.04520	2.2
125.02461	11.8
133.03020	0.6
133.05138	0.4
135.04541	0.9
137.02448	2.1
139.04099	0.4
143.03613	0.4
147.04533	0.4
149.02470	0.6
151.04004	4.9
152.01175	3.9
153.02008	1.7
155.03535	0.8
159.04552	0.4
161.02472	4.2
161.04596	1.2
164.01244	0.5
165.01936	0.5
167.03575	0.7
173.04578	3.4
175.02534	1.8
175.04059	1.0
176.04933	1.8
179.03517	5.3
179.05272	0.4
179.05818	0.4
180.03841	0.5
181.08749	1.0
184.05006	0.3
191.05661	3.2
191.07190	1.0
192.06024	0.6
194.05859	6.1
209.08203	17.5
210.08635	1.0
217.05110	0.6
220.01068	0.3
226.02219	0.4
227.03526	0.4
243.03049	1.0
251.09293	0.5
255.03191	0.4
269.10510	0.6
270.07687	0.4
285.04196	0.6
287.05499	0.7
289.07309	2.2
297.06262	1.7
297.09503	0.7
315.07211	1.8
327.10800	0.7
371.13760	1.5
387.09500	0.7
431.11166	3.7
431.16452	1.3
432.12201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
57.03456	1.2
59.01381	100.0
60.01714	1.8
61.01813	0.5
61.98834	26.9
65.03970	0.7
69.03453	1.0
69.71033	3.1
71.00990	0.7
71.01385	10.9
72.99303	0.4
73.02950	5.7
78.95929	0.5
81.03477	1.4
83.01399	1.2
83.05037	2.5
85.02959	5.6
87.00913	1.1
88.98824	1.9
89.02454	4.8
93.03473	17.7
95.01410	1.3
99.00910	1.6
99.04523	0.7
101.02463	8.5
101.03080	0.8
102.02806	0.5
109.02988	1.6
111.04543	4.9
113.02465	5.2
119.03534	0.7
121.02949	0.5
125.02459	0.7
129.02022	0.5
130.04283	0.7
133.02931	0.6
135.04587	1.4
137.02469	6.4
137.09796	0.7
143.03600	0.6
146.03764	1.5
147.04552	0.6
149.06102	1.9
151.00456	0.6
151.07579	0.4
153.00209	1.2
154.00998	3.4
155.03517	3.3
158.03777	1.4
159.03133	1.0
159.04570	4.9
159.08182	0.9
161.02531	1.1
161.04578	7.9
166.48979	0.4
172.05324	13.9
173.04582	4.1
173.06090	6.7
174.03307	0.7
174.04884	0.6
174.06808	1.3
175.04004	1.1
175.07651	0.7
183.04590	1.9
184.05318	1.1
185.06134	1.0
185.09769	0.5
186.00011	1.2
186.07048	0.6
187.04172	6.2
187.07661	98.4
188.07997	7.7
189.05574	2.3
191.05670	1.9
197.06140	1.0
198.06693	0.5
199.04065	2.1
200.04800	3.8
201.05579	8.4
201.09236	1.4
202.06357	9.5
203.03540	0.5
203.06873	1.5
203.10820	1.0
204.04300	3.4
209.15466	1.1
211.03984	0.6
211.07639	1.0
213.05734	0.6
213.09232	11.3
214.09625	1.4
215.03915	0.5
215.07135	12.0
216.07738	1.9
227.03459	3.2
228.04276	2.0
229.05055	0.6
229.08690	8.0
229.10796	0.7
230.09369	1.0
231.06636	86.3
231.10138	22.7
232.06947	6.8
232.10641	1.7
241.01579	1.2
242.02066	1.0
243.02763	0.5
245.00993	0.9
245.04625	1.1
247.09758	0.9
255.03064	1.1
257.08200	20.1
258.08594	1.9
268.03906	1.0
269.04578	0.6
270.01761	1.5
271.02472	1.0
275.09244	21.2
276.09586	2.7
283.06424	0.6
284.03351	1.6
285.04123	3.1
287.06256	3.8
298.01263	0.7
299.02109	0.9
302.08539	5.3
303.08817	0.8
311.05563	0.7
327.05478	0.8
357.06345	0.6
371.20746	22.2
372.21115	2.9
387.10858	47.8
388.11252	5.9
429.49854	0.5
431.05835	1.1
431.13861	16.3
431.22992	1.7
432.14182	2.4
444.07755	0.4
449.13354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1351
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
54.13778	0.5
56.10087	0.5
57.03453	2.8
58.31339	0.5
59.01383	32.0
61.98839	5.5
65.03947	0.5
70.85952	1.6
71.01041	0.5
71.01383	6.3
71.05023	0.6
73.02967	2.8
78.95926	2.6
81.03422	1.6
83.01387	0.9
83.05032	2.7
85.02940	2.6
87.00848	1.9
88.98797	4.1
89.02467	4.1
93.03476	16.9
95.01381	1.1
99.00893	1.0
99.04499	2.3
101.02454	3.3
107.01410	0.5
109.02971	1.2
111.04536	5.5
112.01558	0.6
113.02458	3.1
119.03487	1.9
121.02921	1.4
121.48582	0.5
122.03696	0.9
125.02426	1.7
126.79250	0.5
132.02151	0.8
133.02965	2.2
134.03726	2.9
134.04688	0.7
135.04523	2.3
137.02460	8.8
143.03467	1.3
146.03749	2.6
147.04503	0.8
148.05333	22.2
149.05765	1.2
150.03239	1.3
151.04039	0.5
155.03534	3.0
159.04510	1.2
160.01736	0.5
160.05365	1.3
161.02489	1.0
161.04578	1.0
162.03255	5.7
165.01953	0.9
172.05299	2.5
173.04541	2.2
173.06064	2.0
174.03230	2.4
174.06886	11.5
175.03958	0.6
175.07210	0.9
176.04825	0.6
177.02008	0.8
178.02669	1.5
179.03522	1.5
179.05589	2.5
180.04292	4.3
183.04565	0.9
183.10277	0.8
185.02478	1.2
185.06044	0.6
185.09642	0.5
186.03151	1.0
187.04089	1.1
187.07631	2.3
191.05585	1.7
199.03970	1.3
200.01204	0.6
200.04776	3.7
201.09221	6.2
202.09578	0.6
202.67778	0.6
203.10802	81.5
204.11122	7.1
209.06102	0.5
211.03992	0.6
213.05600	1.7
213.09247	1.9
215.07056	0.9
224.03197	0.5
227.03516	8.2
227.07147	1.2
229.05057	1.9
229.08708	13.8
230.09074	1.3
231.06648	1.7
231.10262	13.7
232.10588	1.0
241.01506	1.3
246.08876	0.5
247.09770	21.7
248.10097	1.9
255.02983	12.6
256.03616	1.7
257.04453	1.2
257.08197	17.0
258.08621	1.5
269.21185	0.8
270.01718	1.3
271.02399	0.9
273.07617	0.6
275.09256	65.0
276.09607	7.1
284.03308	11.6
285.04047	18.7
286.04514	2.0
287.22256	5.0
333.06158	0.6
334.06900	2.8
371.20721	0.9
413.11880	0.6
431.13708	100.0
431.26477	18.9
432.14127	13.4
432.27048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
59.18818	0.2
59.51674	0.3
60.59684	0.3
60.99310	0.6
61.98817	0.3
65.03964	0.3
71.01379	1.9
72.99297	0.4
73.02952	0.9
83.01412	0.3
85.02966	0.9
87.00930	0.3
88.98816	4.3
89.02452	1.9
93.03471	72.0
94.03812	2.6
95.01407	0.7
99.00865	1.2
101.02467	1.4
104.76261	0.2
108.02189	4.8
108.02900	0.4
109.02969	3.4
113.02474	1.0
123.00918	0.3
123.04521	0.3
125.02439	0.6
130.08754	0.3
133.05113	0.3
137.02467	100.0
138.02803	3.7
152.01161	5.5
153.01971	2.5
159.04480	0.3
161.04604	0.5
163.04120	0.3
167.03499	0.6
167.04736	0.3
173.04584	0.7
179.03516	0.9
191.05612	2.0
197.95886	0.3
273.35043	0.3
281.06702	0.3
283.14005	0.3
293.08856	0.3
296.68906	0.2
297.06390	0.4
299.07751	3.2
315.07162	1.2
316.07736	0.2
341.14825	0.6
387.09378	0.4
431.11975	39.0
432.12381	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	431.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	69.0
58.03790	1.1
59.01384	21.1
61.98817	1.5
69.03447	3.0
69.57047	3.3
69.57462	1.4
71.01392	10.0
73.02946	2.0
75.00874	1.5
78.95920	1.0
81.03470	1.3
83.01408	1.9
85.02975	2.6
86.59773	0.6
87.00894	1.3
88.98824	2.3
89.02460	10.1
93.03471	2.0
95.01405	0.8
96.96020	1.4
97.02966	14.5
99.00911	1.5
99.04536	47.7
100.04871	1.2
101.02463	16.1
107.01382	0.7
109.02964	1.8
111.04552	0.7
113.02476	4.5
118.98080	0.8
119.03444	0.7
120.99567	0.6
121.03024	0.6
123.03292	2.4
123.04541	1.5
125.02468	100.0
126.02787	4.4
131.03468	1.0
133.05070	2.8
134.03740	1.2
135.04549	7.3
137.02463	1.4
138.02016	0.7
138.05632	23.7
143.03531	2.3
149.02531	0.7
151.61603	0.5
153.01932	0.9
153.05606	0.9
155.03526	0.7
161.02458	1.2
161.04559	6.3
164.07465	0.6
173.04552	2.7
179.03526	2.4
191.05626	3.8
193.05107	2.3
195.06644	1.0
203.05598	2.1
208.03596	0.7
209.08195	1.5
223.06134	1.6
233.06635	1.4
243.08766	1.1
255.03001	0.7
270.07751	1.0
285.04059	0.8
293.08676	1.3
297.09668	1.3
315.10843	4.3
316.11057	0.6
329.08792	1.7
335.07529	1.0
369.11523	1.0
387.13000	1.4
407.43295	0.6
431.11798	2.2
431.16434	1.0
432.15262	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	431.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
58.00611	0.2
59.01381	6.2
61.98820	0.6
65.03952	0.4
69.03424	0.5
69.48028	0.2
71.01385	3.2
71.70866	0.4
72.99315	0.5
73.02947	1.0
75.00930	0.2
78.69891	0.2
78.95906	0.4
81.03469	0.3
83.01389	0.7
85.02964	1.3
85.43320	0.2
87.00902	0.5
88.98820	1.1
89.02460	3.7
93.03473	43.1
94.03791	1.5
95.01395	0.4
96.35384	0.2
96.96037	0.3
97.02969	0.4
99.00917	0.6
101.02448	2.1
106.27852	0.3
108.02210	0.3
109.02965	3.5
111.04528	0.5
113.02471	1.0
117.05592	0.4
119.03500	0.5
120.99660	0.5
121.03001	1.0
123.00918	0.7
123.04554	0.6
124.01690	3.2
125.02479	8.7
131.03529	0.3
133.03017	0.5
133.05083	0.6
135.00842	0.3
135.04550	1.4
137.02475	100.0
138.02814	4.8
143.03496	0.2
149.02481	1.5
149.04579	0.8
149.99617	3.5
151.00444	0.4
151.04111	1.2
152.01155	0.3
153.01973	3.7
155.03610	0.3
159.04443	0.3
161.02469	0.5
161.04613	0.7
166.00999	1.0
168.00679	8.4
169.01416	0.6
173.04608	2.5
176.04060	1.4
176.54128	0.3
179.03540	1.9
179.05066	0.2
179.05644	0.3
180.07935	0.5
181.03377	0.3
191.05646	6.9
192.06010	0.9
195.10281	0.5
206.08228	0.5
207.08565	0.4
209.04562	3.4
227.03474	1.4
229.05049	0.3
255.02888	1.3
256.03571	0.4
269.06808	0.6
270.07791	0.9
271.02505	0.3
284.00659	0.3
284.03094	1.2
285.04050	1.9
300.02866	0.4
301.03360	0.7
313.05728	0.5
341.09030	0.7
353.08676	0.3
371.10065	0.3
371.17258	0.3
431.11984	12.8
432.12378	1.4
447.09503	0.5
448.09930	0.5
453.72861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84031	0.4
59.01381	3.8
61.98824	2.9
63.61360	0.4
70.30865	0.4
71.01389	6.1
71.27215	0.9
73.02950	1.7
73.87782	0.4
81.03468	1.3
85.02952	4.2
87.00888	1.2
89.02457	17.4
90.30627	0.4
90.69167	0.4
92.27824	0.4
93.03461	0.6
95.01398	1.7
99.00911	0.7
101.02447	2.0
106.50058	0.4
108.02192	51.5
109.02983	40.1
109.03771	0.6
110.03304	1.2
113.02467	1.7
121.02959	1.2
123.00890	1.1
123.04552	0.9
124.09708	0.4
125.02464	1.2
133.05077	6.2
135.04581	0.6
151.04010	1.3
152.01180	68.9
153.01970	30.9
154.02359	1.2
161.04617	0.9
163.04024	1.3
165.01923	1.8
173.04523	0.6
179.03488	0.5
195.03044	0.7
209.08157	0.4
225.04047	0.4
297.06204	6.0
315.07211	13.8
316.07678	1.2
321.59531	0.4
387.09409	7.6
388.09671	1.1
431.11966	100.0
432.12338	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	431.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	13.4
65.46692	0.4
70.90587	1.1
70.90945	0.4
78.03190	0.4
78.87465	0.3
87.00893	0.4
88.98818	100.0
89.02452	1.3
89.99168	1.0
92.25632	0.4
108.02206	2.2
109.02978	2.0
152.01144	2.9
153.01939	1.0
315.07047	0.6
387.09900	0.4
431.12036	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	431.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	13.4
69.65607	0.8
69.66035	0.9
70.13156	0.2
77.61860	0.2
87.59385	0.2
88.20640	0.2
88.98821	100.0
89.99148	1.5
98.20601	0.5
192.34131	0.2
271.68604	0.2
345.76157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40424	0.2
57.03442	0.7
58.47880	0.2
59.01089	0.4
59.01379	5.7
65.03953	0.6
67.01878	0.5
69.03459	0.5
71.01392	3.4
72.99318	0.4
73.02960	1.1
81.03443	0.4
83.01398	0.9
83.05076	0.3
85.02937	1.1
85.88791	0.2
87.00896	0.6
88.98809	1.1
89.02459	5.0
93.03472	44.2
94.03805	1.7
95.01421	0.3
96.95997	0.2
97.02976	0.6
98.20750	0.4
99.00900	0.8
101.02464	2.1
109.02964	4.5
109.51275	0.2
111.04551	0.5
113.02447	0.9
117.05609	0.5
119.03513	0.6
120.99720	0.6
121.02973	0.7
123.00928	0.8
123.04510	0.4
124.01682	3.2
125.02470	8.3
126.02785	0.3
131.03494	0.4
133.02994	0.4
133.05095	0.5
135.00943	0.6
135.04555	1.2
137.02470	100.0
138.02806	4.4
149.02428	1.4
149.04579	0.6
149.99600	3.8
151.00294	0.3
151.04047	1.7
153.01962	4.8
153.03143	0.4
154.02338	0.5
155.03590	0.4
160.78021	0.3
161.02461	0.7
161.04602	0.9
164.07210	0.4
166.00981	1.0
167.03568	0.5
168.00670	8.5
169.01254	0.7
173.04607	2.3
174.04903	0.2
175.04117	0.3
176.04065	1.3
179.03534	2.0
179.05658	0.4
181.03325	0.6
191.05637	6.2
192.05994	0.7
195.10358	0.3
206.08290	0.6
207.08586	0.5
209.04576	4.1
227.03596	1.1
239.96036	0.2
255.03088	1.3
256.03488	0.3
270.07687	0.8
284.03247	1.1
285.04010	1.8
289.07224	0.4
300.02756	0.5
301.03522	0.6
311.05444	0.3
313.05927	0.3
339.63763	0.3
341.08774	0.6
431.12027	13.5
431.23737	0.5
432.12344	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26277	0.2
59.01387	2.4
59.10417	0.3
61.98830	1.3
65.00336	0.3
65.37865	0.3
71.01379	0.7
71.69087	0.4
77.03979	2.2
79.01481	0.3
79.01895	1.5
83.01431	0.3
88.98799	0.4
93.03471	2.2
95.01376	0.3
97.02942	0.3
105.03493	1.3
107.01364	0.5
109.02962	0.6
117.03485	12.1
118.03800	0.5
119.05046	1.6
121.02967	2.8
123.04497	0.4
125.02467	0.6
131.01405	0.4
133.02940	0.4
135.00871	0.3
135.04541	2.3
136.04045	1.3
137.02483	0.4
145.02997	0.4
146.02478	0.4
147.04518	0.4
148.04051	0.6
149.02452	1.7
149.04890	0.4
151.00398	0.5
159.04550	2.3
161.02469	5.2
162.03084	0.3
163.00401	1.1
163.04048	3.1
165.01950	2.5
169.06752	0.5
173.02480	0.4
173.06125	0.6
175.00400	0.7
175.03966	0.4
177.01892	0.4
179.03534	0.6
181.06648	0.6
182.03812	0.6
183.04544	1.8
183.08199	0.7
191.03499	1.1
191.05794	0.3
193.01405	0.4
195.08244	0.6
196.05339	0.9
197.06131	1.5
199.04099	0.4
203.03493	0.6
209.06084	0.6
210.06866	0.6
211.04002	0.6
211.07684	1.3
213.05678	0.4
224.04820	1.1
225.05557	1.1
227.03557	0.3
227.07182	0.4
237.05736	0.5
238.06223	0.7
239.03468	0.4
239.07132	3.0
240.04134	0.5
241.04961	0.6
253.04974	1.5
254.05852	0.8
255.06754	0.5
267.06482	0.4
268.03796	2.2
269.04514	7.7
270.04953	0.5
270.07697	6.0
279.06601	0.5
281.04572	9.9
282.05310	7.6
283.06131	65.0
284.06464	6.7
293.04547	2.3
294.05026	0.3
295.06107	5.6
296.06616	0.8
305.04547	0.3
307.05942	0.3
308.03235	0.6
309.04044	1.1
309.07635	0.4
311.05627	100.0
312.05972	11.7
314.04288	2.3
323.05621	9.7
324.06052	1.5
325.07486	0.7
333.94455	0.3
339.05255	0.4
341.06696	30.4
342.06879	2.8
353.06720	1.9
377.06406	0.3
383.07736	0.7
413.08783	2.3
431.09860	68.0
432.10175	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	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
65.00354	0.4
65.42953	0.4
66.74756	0.3
72.97060	0.3
93.03468	1.4
107.01414	1.9
109.02951	0.8
112.98595	0.3
132.02199	0.8
135.00909	1.4
141.07111	0.4
143.05069	0.7
151.00386	1.2
156.05862	0.4
157.06679	0.6
159.04539	0.6
163.00433	2.7
164.01201	0.6
167.05107	0.5
169.06644	0.6
171.04538	0.7
183.04564	1.0
185.02402	0.4
185.06111	2.3
187.03993	2.7
189.05530	0.8
195.04520	0.5
197.06082	0.9
199.04028	1.0
200.04414	0.3
211.04048	2.8
213.05594	1.5
215.03470	0.5
223.04002	0.3
227.03519	43.3
228.03922	4.1
229.05070	9.7
229.65335	0.4
230.05330	0.7
239.03520	1.4
240.04237	0.8
241.05087	1.3
243.03020	0.4
255.02988	61.7
256.03513	8.2
257.04517	5.5
267.02853	0.9
284.03275	54.6
285.04031	100.0
286.04413	8.8
327.05170	0.4
431.09860	53.9
432.10138	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	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69537	0.2
59.01382	5.9
61.98830	2.5
63.02399	0.9
65.00330	1.0
71.01376	0.8
71.04935	0.2
71.28562	0.5
73.02946	0.3
83.01402	0.8
83.05059	0.2
83.79591	0.2
83.94592	0.2
85.02963	0.7
88.98795	0.6
89.02460	0.6
93.03469	2.3
96.49722	0.2
96.96024	0.3
99.04496	0.3
101.02460	0.4
104.84326	0.2
107.01389	1.9
111.04568	0.6
112.22633	0.2
117.03489	1.6
119.03500	0.2
121.02961	0.4
137.02434	0.9
143.57660	0.2
148.01674	0.6
149.02460	1.8
149.99593	0.6
151.00397	3.0
155.03540	0.6
158.03770	0.3
159.04523	0.3
161.02477	0.3
169.01489	0.5
171.04544	1.0
172.05312	0.7
173.04579	3.3
179.05583	0.3
181.06635	0.2
183.04552	0.4
184.05307	0.5
186.03275	0.4
187.03973	0.4
187.07614	1.2
189.01892	0.2
191.05637	4.1
195.04475	0.4
196.05370	0.5
197.06033	0.3
199.04056	0.4
200.04829	1.3
201.05588	0.5
202.06281	0.3
211.04033	1.9
212.04688	0.9
213.09200	1.8
214.09637	0.3
215.07140	1.5
219.61713	0.2
224.04793	0.3
225.05551	0.4
227.03574	0.3
231.06680	0.5
231.10223	1.8
239.03502	3.4
240.04239	4.3
241.01520	1.4
241.04718	0.5
242.02165	0.4
245.00899	0.8
257.08197	4.2
258.08658	0.5
267.02972	2.0
268.03772	100.0
269.04431	33.1
270.01688	1.5
270.04913	2.7
271.02438	1.0
275.09238	0.6
283.06116	0.7
296.35556	0.2
298.01202	0.5
299.02014	0.9
311.05612	1.4
323.05740	0.3
327.05106	0.6
341.06757	0.5
387.10858	0.3
431.09879	74.5
432.10196	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	430.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.7
60.29879	0.9
61.98835	100.0
62.63407	1.0
71.59518	1.3
71.59864	1.5
90.92860	0.9
129.98584	0.9
151.03992	1.2
171.13918	3.8
195.13882	2.7
197.15485	12.6
208.07111	1.3
221.08194	6.2
222.08630	6.5
223.09209	1.5
278.54803	1.0
290.08817	1.1
335.10626	1.0
349.27493	2.4
367.28534	11.8
386.30658	3.0
430.26779	17.8
431.27039	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	431.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.3
60.99308	9.5
61.98813	2.3
70.21940	2.4
70.22317	2.0
71.01392	23.5
72.99323	5.4
73.02918	1.6
75.16267	1.3
78.95898	1.2
81.03437	1.5
85.02971	5.7
87.00864	2.0
88.04002	1.0
88.98818	79.1
89.02475	4.8
93.03469	7.3
95.01367	2.1
96.96014	1.2
96.96952	1.3
98.19947	1.3
99.00919	1.3
101.02438	2.6
107.01263	1.1
108.02193	77.0
108.57613	0.9
109.02995	32.6
110.03292	1.3
113.02402	3.6
115.00341	2.6
119.03469	1.5
121.02921	2.8
123.00870	1.5
123.04501	1.6
125.02405	4.1
133.02931	2.5
135.04463	4.0
137.02396	4.2
145.06230	1.2
151.04036	6.6
152.01180	83.4
153.01976	34.5
154.02231	2.3
161.04471	2.3
163.03955	2.3
165.01878	1.9
173.04591	5.6
177.01900	1.8
179.03542	2.0
191.05608	7.2
195.02925	1.4
197.07991	1.0
271.08176	2.2
297.05981	1.6
315.07220	100.0
316.07529	10.0
357.08197	5.3
369.07980	2.8
387.09216	2.2
413.07401	7.8
431.07922	50.9
431.20734	1.9
432.07971	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36292	0.2
52.40339	0.2
55.01889	0.3
56.86185	0.2
57.03456	0.2
58.00602	0.7
59.01382	100.0
60.01720	1.1
71.01392	10.7
71.27541	0.3
71.27868	0.3
72.95206	0.2
72.99332	0.5
73.02951	0.7
83.01401	0.4
85.02969	1.8
87.00904	0.7
89.02457	16.8
90.02794	0.3
95.01411	0.8
99.00896	0.3
101.02464	5.9
113.02459	4.8
119.03529	6.6
121.06651	0.3
131.03514	0.6
137.09750	2.3
143.03534	1.9
149.04601	0.6
161.04567	2.2
161.76248	0.2
179.05637	4.9
180.06200	0.2
429.21429	0.4
429.26837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.4
58.03807	0.4
59.01383	100.0
60.01721	1.1
61.98831	1.1
71.01392	11.6
72.99336	0.5
73.02967	1.1
73.15981	0.4
83.01407	0.9
85.02954	2.2
86.10589	0.3
87.00914	1.2
89.02456	17.7
93.03489	0.5
95.01413	0.8
96.96021	2.2
99.04534	3.3
101.02456	7.2
101.03078	0.6
108.02208	1.4
109.02973	0.7
111.00932	0.4
113.02470	5.2
119.03516	7.5
123.04571	0.4
125.02497	0.8
126.02846	0.4
131.03558	1.1
137.02501	0.7
137.09744	2.9
143.03526	2.0
149.04651	0.9
152.01207	0.9
154.04332	0.4
161.04578	2.3
179.05667	5.5
179.07130	0.8
191.05698	1.3
211.07455	0.4
219.06670	0.4
221.08252	0.9
240.34479	0.4
255.06613	0.5
267.16205	0.6
268.06253	1.6
282.90579	0.4
283.12027	0.4
361.66977	0.4
369.19330	0.6
370.10776	0.4
429.10901	1.8
429.16336	0.4
429.21451	1.1
429.26651	3.0
430.26620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99658	0.9
59.01380	2.4
61.98833	100.0
69.64585	1.1
70.97443	2.1
70.97803	1.6
79.64037	1.0
102.87023	1.0
113.36727	0.9
171.13937	3.2
195.13947	1.6
197.15453	11.5
221.08263	5.4
222.08658	6.5
223.09259	1.6
236.14122	1.4
349.27457	2.4
367.28552	12.5
368.28812	1.9
386.30618	1.2
430.26746	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	429.0829
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
57.03455	0.8
59.01385	6.6
60.01721	0.4
61.98835	3.8
71.69833	0.8
72.86700	0.5
77.12955	0.4
89.02461	0.7
93.03467	1.2
101.02445	0.6
103.04918	0.4
106.26324	0.4
107.01411	1.3
113.02440	0.5
125.02495	0.5
128.29736	0.4
133.02995	0.4
135.04533	0.5
143.03949	0.4
151.00357	1.1
162.84138	0.4
173.02463	0.5
173.04538	0.9
183.04512	1.1
185.06110	0.8
187.04147	0.7
191.05592	0.9
195.04269	0.6
211.04053	1.7
213.05685	0.8
221.08167	1.0
223.17099	3.1
227.03520	70.3
228.03888	5.6
229.05034	1.0
239.03413	0.5
241.04956	0.8
245.72185	0.5
255.02995	86.5
256.03543	13.9
257.04367	1.8
267.16003	5.4
284.03278	64.1
285.04016	42.7
286.04361	3.1
327.05075	1.0
357.26758	0.5
385.21945	0.5
429.08292	100.0
429.26492	2.7
430.08661	14.8
430.14435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.083
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
57.03426	1.3
57.20078	1.1
58.67015	1.3
59.01381	39.1
61.98833	10.7
63.02409	2.3
65.00325	6.9
71.01378	2.4
71.71602	1.6
72.73595	1.1
73.02944	1.5
83.01403	4.2
85.02953	5.5
89.02459	3.0
101.02499	1.8
102.98600	2.7
107.01385	9.8
109.02908	1.7
111.04594	1.4
121.02982	1.4
124.01667	1.9
125.02453	4.6
131.05052	2.9
145.02992	3.3
147.04535	1.9
151.00400	26.9
152.01012	1.6
153.01997	1.7
159.04547	3.0
161.02469	4.9
163.00452	2.4
167.05029	1.7
173.04599	3.2
175.04001	3.5
178.99889	12.3
181.06570	1.8
183.04503	3.8
185.02419	1.7
187.04030	3.5
191.05522	2.5
195.04556	2.6
196.05188	1.7
201.01846	1.9
209.06087	4.7
211.04022	5.1
213.05560	1.7
215.03589	1.3
221.08167	4.3
223.04056	1.6
225.05569	4.2
227.03523	7.9
233.08224	2.8
235.03983	5.1
235.09891	1.4
237.02011	1.3
237.05537	3.0
239.03502	1.9
240.04160	1.1
241.05360	1.8
251.03592	3.0
251.07018	1.3
253.05003	8.0
257.04660	1.8
263.03674	1.5
269.04590	6.5
279.02936	8.6
280.03793	3.6
281.04559	34.1
282.05063	3.2
285.04065	2.1
295.02417	5.4
296.03229	10.2
297.04059	28.2
298.04446	4.1
299.05502	2.9
308.03006	1.4
309.04272	1.5
311.01962	10.1
312.02118	1.6
321.04044	1.8
325.03555	73.8
326.03851	9.6
339.05038	4.4
355.04614	2.4
357.06149	2.1
428.25339	1.3
429.08286	100.0
429.26440	14.8
430.08542	13.9
430.26627	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	428.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.5
59.01383	8.6
59.07697	0.3
61.98835	100.0
68.34111	0.4
71.01392	3.9
71.71353	0.5
72.99335	0.4
73.02945	0.7
79.05550	0.6
83.01400	0.6
85.02972	1.4
87.00919	0.7
89.02452	2.7
93.03489	1.0
95.01347	0.3
99.04523	1.9
101.02461	3.2
107.05104	0.3
108.02202	2.8
109.02985	1.7
111.04523	0.4
113.02489	1.7
119.03526	1.3
123.04543	12.4
125.02485	1.7
135.04585	1.0
137.02475	0.4
138.57121	0.3
143.03560	0.4
151.04108	0.4
152.01181	2.9
153.01927	0.4
157.12384	2.7
161.02412	0.4
161.04562	0.6
167.03539	4.0
173.04631	0.8
179.05711	0.4
185.11887	0.6
191.05595	1.5
203.12904	9.9
204.13370	0.5
221.08241	0.4
257.77258	0.3
265.03976	0.3
266.04578	0.7
285.09811	0.5
308.03821	0.4
327.11215	0.3
365.18182	35.0
366.18512	3.9
396.87711	0.3
428.09631	0.4
428.25449	0.7
429.08762	0.5
429.13873	2.4
429.26776	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	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39597	0.4
53.40456	0.3
55.01884	0.6
58.02962	0.4
59.01374	3.1
61.98827	0.8
66.03499	0.6
69.03457	7.9
70.03795	0.5
71.01383	1.8
71.05013	0.5
72.99331	0.8
75.00882	7.9
75.01291	0.6
76.01257	0.4
80.02675	0.4
81.02219	0.4
81.03455	0.5
82.03005	1.1
83.05033	0.7
84.04562	8.7
86.02501	0.6
89.02454	1.2
93.03474	0.7
94.02997	0.9
96.00931	3.5
96.04543	0.3
96.10605	0.3
99.00912	0.7
100.00410	1.1
105.01959	0.8
108.03887	0.3
110.02522	0.8
111.04522	0.8
112.04066	100.0
113.04383	2.7
117.01940	0.4
121.02938	0.5
123.00930	0.5
124.01756	0.5
130.01474	0.8
135.01981	0.7
135.03018	13.3
137.02406	0.4
139.02724	1.8
140.03587	0.6
146.49814	0.4
150.01985	0.4
153.12912	2.0
153.40231	0.4
156.02953	0.5
169.16103	0.4
171.01752	1.2
179.14441	1.8
181.16013	3.9
182.16380	0.6
191.05667	1.2
194.25888	0.3
195.13913	0.5
196.17110	0.6
208.17146	0.8
209.15529	0.7
210.18684	0.8
220.17062	1.6
221.08160	0.5
222.18622	1.2
233.08287	0.4
235.15663	0.8
236.16324	0.5
237.14919	1.4
238.18060	1.6
248.16588	1.5
250.18150	0.5
262.17953	0.7
264.16025	6.6
265.16562	0.6
266.17606	42.4
267.17944	4.0
276.15988	0.6
279.16144	0.4
280.19101	0.4
294.13852	0.6
294.17126	11.6
295.17462	0.9
298.16647	3.4
299.16776	0.4
303.16116	0.4
306.16977	1.4
308.15067	1.5
310.16608	33.2
311.17029	3.1
338.16074	2.1
428.19644	0.4
428.25281	0.8
429.26447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1974
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
59.01390	8.8
61.98831	3.8
71.01401	3.7
73.02946	0.9
78.95878	1.5
83.05029	1.6
85.02958	2.4
87.00943	0.8
89.02430	2.2
93.03477	1.8
96.96976	1.3
98.20718	1.9
99.04531	18.4
100.04911	0.8
101.02480	1.4
111.04548	1.9
113.02477	3.2
119.03529	0.9
121.06632	0.9
133.02977	1.0
135.04561	1.3
135.08170	1.0
173.04567	2.0
191.05632	2.7
203.14426	9.4
204.14793	1.0
220.07356	1.2
221.15474	38.5
222.15814	2.9
230.01823	0.8
247.13367	1.2
265.14459	100.0
266.14798	10.7
282.86169	0.7
289.14453	2.2
291.05066	0.8
307.15796	1.7
375.24426	0.8
427.19641	1.5
427.24823	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	427.1978
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
57.03456	3.2
58.19433	0.4
59.01385	16.6
59.98516	1.1
60.38445	0.5
61.98837	2.6
64.03329	0.4
69.03471	0.4
69.79973	0.4
71.01390	4.8
71.70690	0.6
73.02954	1.1
78.56087	0.4
78.95934	0.6
80.01902	0.4
81.03481	0.5
83.01425	0.7
83.05031	1.2
85.02966	2.8
87.00876	0.6
89.02457	3.6
93.03471	1.1
95.01397	0.7
95.05028	0.5
97.02960	0.8
99.04536	21.5
101.02448	3.6
108.02182	0.8
111.04520	1.8
111.99831	0.4
113.02490	4.0
118.53405	0.4
118.97118	0.5
119.03505	1.2
121.03014	0.5
121.06618	6.8
122.06941	0.7
123.00949	0.5
123.04521	0.6
123.08190	0.7
124.01676	1.7
125.02468	5.9
135.08194	1.5
137.02504	0.4
143.03539	0.7
147.08150	0.7
149.99635	3.2
152.01149	1.1
161.04604	1.0
167.03531	1.8
168.00687	5.1
169.01262	0.4
173.04597	1.3
179.05550	0.6
185.13377	0.9
187.11282	0.6
191.05638	1.5
203.14418	11.9
203.16241	0.8
204.14772	1.4
205.08829	0.5
205.12347	3.6
220.07339	0.7
221.15480	34.1
222.15817	3.6
247.13351	2.3
265.03845	1.3
265.14450	100.0
266.04642	1.6
266.14761	9.9
289.14368	3.1
307.15463	2.7
311.01697	0.5
367.17377	0.5
427.12463	7.3
427.19339	1.5
427.24542	3.7
428.09708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2604
Annotation	Palau'imide
Peak:m/z	Relative Intensity
52.76971	0.3
56.77275	0.3
57.03456	3.1
59.01369	1.5
61.98836	2.3
66.03487	0.6
68.01428	0.3
68.05070	0.5
70.06634	0.6
71.01349	0.4
72.99327	0.3
73.06015	0.3
90.71465	0.3
92.05075	6.5
92.33287	0.3
93.03510	0.3
94.03004	0.4
95.03811	0.4
98.20628	1.3
102.03517	0.4
117.04617	3.1
118.03023	1.8
118.06652	1.3
118.98409	0.3
120.04575	0.9
127.47598	0.3
131.03795	27.8
132.04596	24.2
133.04904	1.3
144.04572	6.6
145.04100	8.4
145.05212	0.4
146.02472	0.5
146.04407	0.5
146.06145	8.0
147.06497	0.4
157.05379	0.7
158.04892	0.6
158.06117	7.4
159.06499	0.4
167.06178	0.9
171.05699	2.2
172.06419	0.4
173.07225	11.2
179.14417	0.6
181.15997	6.6
183.09407	0.4
184.04039	0.7
185.07222	3.3
193.05070	0.4
197.19121	4.4
201.10379	6.3
202.10651	0.7
203.06700	0.5
209.19096	0.5
214.31140	0.3
222.18649	2.7
223.20694	1.1
224.20210	100.0
225.18788	0.4
225.20549	9.6
230.80180	0.5
250.21744	7.6
251.22148	0.8
252.23332	4.0
294.20746	2.2
339.22116	2.3
355.23889	7.2
355.27917	0.6
356.24200	1.0
365.26181	0.9
383.22125	0.8
383.27084	16.2
384.27411	2.8
427.26038	81.1
428.26321	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	427.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03453	100.0
58.03791	2.3
59.01385	81.0
60.01725	1.1
60.37605	0.5
61.98822	1.5
70.71950	1.5
70.72318	1.2
71.01391	16.5
73.02956	7.8
81.03493	1.8
83.01408	3.9
85.02496	1.1
85.02968	8.6
87.00895	1.0
88.98867	0.6
89.02471	1.4
93.03452	1.1
95.01414	1.6
99.00917	2.7
99.04539	80.6
99.40116	0.7
100.04910	2.3
101.02463	31.5
103.94009	0.6
109.02947	0.8
113.02468	7.2
125.02473	22.7
126.02843	0.7
135.04594	1.0
137.02512	1.5
143.03516	1.6
159.03069	1.5
161.04597	6.8
173.04550	1.3
191.05705	1.6
283.11887	21.0
284.12387	1.7
325.13080	1.3
427.16290	2.8
427.25275	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03453	100.0
58.03791	2.3
59.01385	81.0
60.01725	1.1
60.37605	0.5
61.98822	1.5
70.71950	1.5
70.72318	1.2
71.01391	16.5
73.02956	7.8
81.03493	1.8
83.01408	3.9
85.02496	1.1
85.02968	8.6
87.00895	1.0
88.98867	0.6
89.02471	1.4
93.03452	1.1
95.01414	1.6
99.00917	2.7
99.04539	80.6
99.40116	0.7
100.04910	2.3
101.02463	31.5
103.94009	0.6
109.02947	0.8
113.02468	7.2
125.02473	22.7
126.02843	0.7
135.04594	1.0
137.02512	1.5
143.03516	1.6
159.03069	1.5
161.04597	6.8
173.04550	1.3
191.05705	1.6
283.11887	21.0
284.12387	1.7
325.13080	1.3
427.16290	2.8
427.25275	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76180	0.4
57.03451	100.0
58.00595	1.3
58.03798	2.2
59.01382	66.8
60.01728	0.5
69.03461	0.7
69.50468	4.3
71.01388	20.5
72.01724	0.9
72.99312	1.1
73.02955	18.8
74.03289	0.5
75.00864	0.5
78.82833	0.3
79.05538	1.7
81.03448	2.1
83.01401	6.1
85.02974	3.2
87.00886	0.6
89.02458	15.1
93.03480	0.8
95.01387	1.8
95.04998	0.4
97.06599	0.8
98.19859	0.9
99.00962	0.5
99.04534	72.4
100.04867	1.9
100.78284	0.4
101.02460	37.1
102.02778	1.1
109.06656	0.5
113.02467	10.3
113.06113	2.2
119.03519	5.7
123.04541	11.0
125.02463	24.8
125.33875	0.4
126.02766	1.0
131.03468	1.6
137.02463	0.5
141.05580	1.8
143.03500	3.7
149.04582	2.9
153.05530	1.2
161.04588	6.3
179.05656	4.1
183.06638	0.8
191.05551	0.6
201.07539	0.5
203.05423	0.5
205.05081	0.5
221.06618	1.0
227.07082	0.8
243.08638	0.5
325.12946	0.6
427.16022	3.2
427.24600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.4
60.99306	12.4
61.98833	5.8
71.01392	3.9
71.70788	1.5
78.23684	1.1
78.95889	2.3
85.02962	4.2
87.00880	2.1
88.98819	100.0
89.02469	2.7
93.03476	5.5
101.02503	1.4
107.05024	3.6
108.80659	1.1
109.02993	1.5
111.04527	3.8
113.02470	1.1
115.00370	1.5
118.98089	1.3
119.05050	23.0
121.02953	1.1
135.04526	4.2
137.02423	1.8
137.06140	1.7
140.68140	1.1
147.04570	2.1
151.04027	1.6
155.03464	1.8
161.02512	1.4
163.04031	58.2
164.04391	3.9
173.04591	9.3
175.03957	2.2
179.03580	2.5
189.05586	1.0
191.05634	35.0
191.07352	2.2
192.05945	2.6
193.05049	1.2
205.04930	1.4
209.02794	5.9
210.98839	1.5
238.98244	1.4
253.01862	2.5
288.33524	1.2
337.09268	20.1
338.09616	2.6
367.19730	1.5
427.07220	1.6
427.18091	2.5
427.24939	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	427.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83265	0.6
57.03448	1.6
59.01379	3.2
59.38885	0.6
60.99313	10.5
61.98835	10.3
66.47044	0.5
67.01874	0.7
71.01385	2.3
71.41191	1.0
73.02921	0.6
83.01397	0.6
85.02957	4.4
87.00877	1.5
88.98821	63.7
89.02470	0.8
93.03472	4.3
96.96027	4.8
99.04514	0.9
101.02472	1.1
108.02198	1.1
109.02296	0.5
109.02954	2.7
111.04523	1.3
119.05081	0.7
123.04545	0.6
127.04037	1.7
135.04561	0.8
137.02495	1.4
145.02936	0.9
152.01212	0.7
155.03474	0.6
161.04633	0.7
163.04066	1.7
163.45175	0.5
167.03494	1.1
173.04564	3.0
179.03476	0.9
187.02437	0.5
191.05634	100.0
192.05962	4.6
203.12999	0.7
234.35707	0.5
250.39499	0.6
329.08728	0.6
337.09293	25.0
338.09763	3.3
365.18185	3.7
427.12201	0.7
427.25064	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
57.77451	0.7
58.02981	1.0
59.01376	4.1
60.42644	0.7
60.99314	13.8
61.98834	7.8
67.01893	1.9
71.01397	3.4
71.69976	1.1
83.05023	0.8
85.02956	4.6
87.00885	2.7
88.00418	7.2
88.98819	100.0
89.02448	1.1
89.99173	1.5
93.03476	12.5
101.02473	1.0
108.02155	1.5
109.02969	1.5
111.04556	3.5
113.02448	0.9
119.05061	5.9
119.47546	0.7
124.39236	0.7
127.04093	1.3
135.04564	7.9
136.04832	0.9
136.47861	0.8
137.02475	2.4
145.02988	1.5
147.04510	1.7
152.01221	1.9
154.80409	0.7
155.03519	2.1
161.02492	5.8
161.07219	1.2
163.04033	9.0
167.03465	0.9
173.04584	35.9
174.03339	1.2
174.04874	2.0
175.03999	4.6
181.03259	0.8
191.01776	2.8
191.05627	28.9
191.07361	1.4
192.06015	2.3
209.02797	24.6
210.03076	1.9
216.99536	0.8
235.00682	2.7
253.01776	7.8
254.01842	0.7
279.39227	0.7
295.12994	1.5
337.09305	15.7
338.09509	1.7
415.12427	0.8
427.07040	28.5
427.24942	3.0
428.07370	3.5
450.71899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57647	0.5
57.03448	3.8
59.01373	3.7
60.99311	13.7
61.17166	0.4
61.98835	23.7
66.55322	0.4
68.62142	0.4
70.26918	2.0
71.01397	1.1
73.02980	0.4
78.95488	0.5
78.95921	3.2
83.01369	0.6
84.75797	0.4
85.02962	1.0
87.00877	0.5
88.98820	100.0
89.02434	0.8
89.99149	1.3
90.90343	0.5
93.03468	2.2
96.96032	15.2
96.96970	6.6
99.00932	0.6
99.04520	3.9
101.02444	2.1
108.02203	0.6
109.02991	0.7
111.00887	0.5
111.04576	1.0
112.25350	0.4
119.05070	0.5
123.04567	0.7
125.02465	1.8
135.04550	22.9
136.04895	0.9
137.02451	0.9
147.04510	2.9
149.06117	1.0
155.03557	0.5
161.02492	2.9
161.04617	0.5
162.03239	1.0
163.04037	17.5
164.04308	0.8
167.03523	4.5
173.04591	2.2
174.03265	0.7
175.04034	11.0
176.04541	0.8
181.03297	1.0
185.19289	0.5
191.01747	9.2
191.05586	4.2
208.03755	0.6
209.02800	74.9
210.03133	5.4
221.10387	1.0
235.00706	0.9
237.03806	0.5
239.49539	0.4
253.01772	24.8
254.02118	1.7
263.11331	0.9
303.14334	0.6
315.10965	0.5
319.04684	0.6
329.08737	0.8
337.05524	0.8
365.14639	3.2
427.07074	32.8
427.24750	1.3
428.07407	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	426.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87772	0.3
59.01376	1.6
60.23711	0.4
61.36003	0.3
61.98835	100.0
71.69495	0.5
71.69868	0.6
73.59367	0.4
78.54874	0.4
78.95914	2.8
87.00916	0.4
93.03451	2.3
96.96983	1.8
97.35394	0.4
98.02505	3.6
105.01926	2.2
109.02986	0.6
111.04529	1.1
133.87064	0.4
135.04552	1.3
137.02510	0.8
139.08934	0.4
158.92607	0.5
173.04745	0.9
179.03477	1.2
184.06172	2.6
185.52158	0.4
191.05664	2.3
249.04395	1.9
252.15985	0.6
264.06696	1.1
280.15594	2.5
289.18262	0.4
308.54123	0.4
338.19733	5.9
361.16324	0.4
366.19287	1.2
426.16672	0.5
427.25162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.8
59.01383	3.5
60.99312	12.5
61.98837	21.0
62.17291	0.2
69.62478	0.9
69.62907	0.8
71.01381	0.9
73.02940	0.2
78.93018	0.2
78.95908	0.6
81.03532	0.3
83.01396	0.8
85.02981	0.3
87.00918	0.2
88.00448	0.3
88.98821	100.0
89.02466	0.6
89.99140	1.4
93.03471	1.0
96.96032	2.7
96.96951	1.1
99.00885	0.5
99.04531	3.5
101.02456	1.6
104.12620	0.2
109.03020	0.3
113.02454	0.5
119.03483	0.2
125.02464	0.9
127.00380	0.3
135.04564	0.8
137.02481	0.3
143.03496	0.2
149.06087	0.6
161.02490	0.4
161.04594	0.4
163.04037	0.5
167.03542	0.5
173.04541	1.2
175.04053	0.3
177.02020	0.5
191.05658	1.5
192.05951	0.2
201.43762	0.2
209.02802	1.4
221.10269	1.1
229.08766	0.3
233.04501	0.2
237.03992	0.3
241.83035	0.2
253.01945	0.4
263.11407	0.5
265.07068	0.2
271.68600	0.2
277.03674	0.4
303.14447	0.3
315.10800	0.3
337.05606	0.8
337.09439	0.4
365.14529	3.4
397.05054	0.2
408.97678	0.2
427.06287	0.9
427.12207	0.5
427.25034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78314	0.2
59.01387	0.4
61.98838	1.2
62.96416	0.8
63.82909	0.2
70.28940	0.8
78.95914	100.0
85.02966	0.4
93.03463	1.0
96.96977	60.3
111.04514	0.7
135.04637	0.2
137.02495	0.3
146.06143	0.3
155.03487	0.3
156.18860	0.2
159.03365	0.2
172.04063	0.7
173.04625	0.5
174.05630	0.7
186.05650	0.3
187.06439	0.4
191.05669	1.2
192.06699	0.8
195.13858	0.2
197.15581	0.3
200.03508	0.4
200.07158	0.2
214.05211	0.3
215.05821	0.3
285.17236	0.4
288.40033	0.2
300.19745	0.3
313.16953	0.4
328.19168	4.5
329.19455	0.6
335.32455	0.2
346.20251	0.3
356.89951	0.2
398.17465	2.0
399.17441	0.2
408.15778	0.3
426.16888	23.1
427.17148	3.3
427.24744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
59.01368	2.1
61.98829	4.0
65.99847	2.8
68.01421	1.4
71.01379	1.2
71.72083	0.9
71.72473	0.8
72.99315	4.0
78.95913	2.1
80.05044	0.9
81.02199	0.7
82.95454	0.7
84.93899	1.0
93.03441	1.0
94.02972	1.5
94.93665	0.7
96.96056	0.7
98.02473	1.5
98.95622	0.8
99.00898	6.7
99.92599	83.3
100.92609	4.5
100.93400	3.9
101.02441	4.4
109.93433	2.1
110.06117	0.8
115.92091	100.0
116.92128	6.1
116.92870	76.5
117.92879	4.5
117.93658	2.0
125.92912	1.4
128.07216	1.5
132.92375	1.1
137.02502	0.7
153.12860	0.9
155.95190	0.8
158.92561	0.7
171.94754	0.7
181.16022	1.2
183.97095	9.7
184.95490	1.7
184.97121	0.8
192.13911	1.4
192.94664	0.8
193.95502	6.1
194.15509	51.0
195.14162	1.1
195.15813	4.4
196.17029	2.6
199.96548	0.9
209.19189	1.0
209.98676	0.7
211.96588	2.2
216.94434	0.9
216.97807	2.4
226.98820	0.8
234.18709	1.2
236.20236	8.0
238.21761	1.1
253.18137	1.1
279.09351	1.3
280.10150	5.5
294.08041	2.0
296.09494	1.8
297.51932	0.8
308.09421	0.9
310.07529	2.9
316.10043	1.2
320.13223	27.3
321.13535	4.6
326.19824	3.1
327.81168	0.8
330.07715	1.0
334.11160	5.8
335.11450	1.8
335.15359	0.7
346.11252	5.3
347.11307	1.4
348.09225	1.3
352.12094	4.0
353.12912	0.8
364.12186	26.6
365.12451	4.7
378.10086	2.0
382.13300	11.1
383.13660	2.2
396.11078	1.1
408.11206	4.3
426.12262	8.6
427.12784	1.9
427.24786	3.5
439.24625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0224
Annotation	ADP
Peak:m/z	Relative Intensity
59.01382	0.5
60.42559	0.3
62.96410	0.7
69.98775	1.3
71.01389	0.4
78.95911	100.0
88.98808	1.5
89.02485	0.4
96.96967	3.4
97.78140	0.3
98.20620	0.4
98.97434	0.3
107.03667	0.5
115.00434	0.3
128.03566	1.1
128.07153	0.3
130.08766	0.8
133.01349	0.3
134.04750	31.0
135.05106	1.1
148.51724	0.3
158.92560	39.3
171.63176	0.2
174.98036	0.7
176.93654	0.5
179.05585	0.4
184.23219	0.2
190.18912	0.3
192.99020	0.4
211.00154	0.4
215.78337	0.2
250.44011	0.2
251.75307	0.3
272.95718	2.6
276.45782	0.2
290.96887	0.7
296.54330	0.3
297.11911	0.3
328.04556	12.9
329.04861	0.7
346.05698	0.8
350.10532	0.3
408.01218	4.8
426.02225	35.8
427.02423	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16382	1.6
55.01864	1.9
57.03451	11.0
58.70290	1.7
59.01392	14.9
61.98829	14.3
68.99809	6.4
69.43031	13.7
69.43450	5.1
71.01388	36.6
72.99308	3.5
73.02953	4.4
78.95895	6.2
83.01404	11.2
83.05051	4.1
85.02969	13.4
87.00872	3.6
93.03476	25.3
94.03773	2.5
96.99328	2.3
98.20587	3.2
99.00896	23.0
101.02454	2.6
109.02918	2.6
110.41444	2.0
111.00900	43.5
111.04547	9.6
112.98827	100.0
113.99151	2.6
115.00398	4.4
129.01956	31.9
135.04532	7.9
136.60759	1.8
137.02489	14.8
142.99870	5.0
155.03491	6.9
156.04047	1.9
158.92595	2.2
173.00932	24.5
179.03517	6.5
181.15924	3.7
191.02054	2.4
191.05589	4.2
197.15512	4.4
199.17006	2.3
200.17357	2.6
221.15413	2.5
236.68419	2.3
237.14925	2.6
247.09749	2.4
265.14548	10.0
287.36133	2.2
293.14011	4.7
296.57861	2.4
313.18076	2.8
357.16968	3.9
358.17163	2.7
370.68881	2.1
409.05060	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	425.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23171	2.1
56.32923	1.8
57.03440	4.0
59.01373	11.2
61.98838	40.6
63.13713	2.0
64.36420	2.3
64.54044	2.0
67.01929	3.8
68.99818	2.4
69.03472	2.9
69.80686	1.8
71.01396	14.4
71.71267	3.9
75.00858	2.0
75.54379	1.9
78.95901	5.0
83.01404	8.6
85.02965	9.2
87.00908	2.6
93.03475	11.4
99.00895	27.9
111.00916	15.6
111.04535	4.1
112.98827	100.0
113.20088	2.5
115.00407	7.2
129.01938	5.9
129.27368	2.8
135.02998	4.2
137.02470	4.0
139.00407	16.3
142.99902	18.9
145.01489	5.2
157.37585	2.1
169.16232	2.1
173.00926	79.6
174.01256	2.3
181.16002	12.7
191.05580	3.0
193.15889	3.6
196.17137	2.8
197.15491	82.1
198.15869	6.0
200.17004	2.6
209.15564	4.5
224.16531	7.3
235.13426	2.5
235.31566	2.0
237.14975	6.8
249.15036	3.3
259.45123	1.9
265.14447	36.2
266.14883	3.3
267.15912	2.7
279.16241	2.0
293.10687	3.8
293.13947	72.9
293.17200	4.3
294.14337	7.5
302.41138	1.9
310.79590	2.0
325.16620	5.7
340.17773	2.3
353.15988	2.7
371.17136	13.9
397.80798	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	425.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33020	0.7
55.54926	0.6
57.03445	2.0
59.01383	8.1
60.99308	16.1
61.98836	12.1
67.01876	1.2
68.12889	0.6
69.03421	0.7
70.55900	0.7
71.01382	3.1
71.70626	0.7
73.02969	1.2
73.49922	0.6
78.95911	1.5
83.05019	1.3
85.02952	2.7
87.00900	2.0
88.98820	100.0
89.02442	1.1
89.99122	0.8
93.03470	12.8
99.04559	1.5
101.02462	2.5
102.98641	0.8
107.47857	0.7
109.02979	2.4
111.00919	0.8
111.04506	3.3
113.02430	0.9
113.95789	0.6
119.05027	1.0
125.02485	1.7
131.44537	0.7
133.02997	7.3
134.03792	1.4
134.04726	0.9
135.04552	23.2
136.04901	1.0
137.02480	5.0
139.97194	0.8
151.00337	0.9
155.03508	2.1
161.02480	30.4
162.02843	1.7
163.04028	0.8
165.05579	0.8
173.04587	12.2
177.01971	9.7
179.03535	23.1
180.03867	1.5
191.05647	19.0
213.40691	0.7
227.07214	1.3
232.20062	0.7
304.89502	0.6
335.07742	39.1
336.08035	4.9
345.09314	0.8
353.08875	1.0
365.21719	1.3
418.53711	0.8
425.09302	0.8
425.26932	0.8
426.10318	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	424.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
61.98835	100.0
71.70483	0.5
85.03014	0.4
93.03486	1.7
100.18723	0.4
100.52913	0.4
111.04543	0.9
122.11434	0.4
137.02458	1.1
155.03551	0.7
163.02664	0.4
173.04561	0.5
302.35114	0.4
414.08914	0.5
432.70435	0.4
448.22272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
60.99308	12.8
61.98826	0.7
65.35995	0.4
67.19946	0.4
69.55851	2.2
69.56258	0.9
72.21876	0.4
76.14819	0.3
88.98818	100.0
89.99159	1.2
93.03453	1.1
98.24990	0.4
111.04519	0.6
129.72188	0.3
135.04550	5.2
137.02486	0.6
161.02501	1.7
173.04596	0.8
179.03535	5.5
180.03961	0.4
186.58195	0.4
191.05663	1.4
335.07773	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	425.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80212	0.4
53.31719	0.4
59.01368	0.7
60.99308	13.2
61.98830	0.4
68.84257	0.3
70.86372	1.0
70.86727	0.4
72.42467	0.3
78.95970	0.3
88.98817	100.0
89.99148	1.4
90.41322	0.4
91.17024	0.3
93.03455	1.1
101.06093	0.6
133.03053	0.4
135.04549	4.9
157.36334	0.3
161.02461	1.3
163.13759	0.3
173.04581	0.6
179.03545	4.9
191.05606	0.8
249.24895	0.3
251.19670	0.5
335.07773	4.8
336.07858	0.3
425.17624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	14.3
61.98825	4.9
63.35521	3.6
69.03468	3.4
71.05023	6.9
71.27277	7.0
71.27676	8.1
77.03378	3.3
89.13998	3.6
100.58862	3.3
104.62038	3.4
153.12906	6.3
169.16028	30.4
171.13937	100.0
172.14330	6.2
179.14447	6.0
181.16017	71.3
195.17575	9.9
197.15498	72.6
198.15810	4.3
207.13936	6.4
209.15503	11.5
225.14960	71.9
225.18321	4.5
226.15210	4.3
251.16525	29.2
280.52869	4.4
307.30035	4.2
333.31409	4.1
363.29117	18.8
377.25955	6.0
377.30624	90.4
378.30978	15.6
382.67026	4.8
391.28214	6.6
395.31656	28.6
419.79526	4.1
423.30902	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	424.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
59.63947	0.1
60.01717	0.2
60.04122	0.1
61.01814	0.1
61.98833	100.0
62.67179	0.1
62.98540	0.2
70.87582	0.4
71.44202	0.1
83.10830	0.1
89.02478	0.2
93.03484	0.4
111.04580	0.1
132.58505	0.1
137.02498	0.2
229.01447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
58.00584	0.9
59.01382	100.0
60.01715	1.3
61.98827	3.5
63.16230	0.9
66.54637	0.9
71.01390	9.1
71.72511	1.0
73.02959	3.7
78.95931	2.0
79.52156	0.8
83.01398	2.0
83.02474	0.9
85.02943	4.8
89.01962	1.0
89.02438	4.5
93.03474	3.6
97.22001	1.0
98.02538	1.2
101.02467	11.3
102.04300	0.8
113.02469	5.3
119.03481	2.1
159.03188	1.1
161.04567	7.5
173.04588	2.6
191.05643	3.9
196.17096	0.9
236.22682	0.9
257.74036	0.9
273.54373	0.9
363.19507	0.6
363.23889	17.8
364.24103	1.8
423.19574	1.2
431.98627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03459	0.5
58.98239	0.3
59.01382	100.0
60.01715	1.1
61.98838	0.8
70.90078	0.7
70.90414	0.4
71.01389	8.5
73.02958	2.4
73.76463	0.3
83.01405	1.4
85.02958	4.0
87.00885	0.5
89.02448	2.7
93.03497	0.4
95.01398	0.5
97.02988	0.4
99.00903	1.2
101.02456	8.6
101.03082	0.5
113.02455	3.2
114.00399	0.3
119.03527	1.2
129.01958	0.4
143.03555	0.8
145.88870	0.3
159.03020	1.1
161.04585	7.6
161.05841	0.4
162.04922	0.4
168.16315	0.3
173.04584	0.3
179.05721	0.3
184.17166	0.4
184.88710	0.3
187.94972	0.3
191.05605	0.4
197.54591	0.3
209.81985	0.3
224.20995	0.3
265.77115	0.3
363.23914	15.4
364.24387	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	423.1792
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
57.03443	26.7
59.01373	62.0
60.99290	11.9
71.01361	15.0
71.20196	32.3
73.02953	13.7
85.02944	10.0
86.81995	10.2
88.87580	11.5
88.98801	89.5
99.04536	24.8
101.02473	21.5
134.02501	30.8
141.39044	12.2
173.04512	12.6
191.05711	12.0
193.54811	11.3
198.85056	10.9
207.97833	13.0
321.79105	12.3
423.18060	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	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.6
57.03448	4.4
58.00598	1.0
59.01383	27.9
60.01712	0.4
61.98829	1.4
69.03454	1.2
71.01391	51.9
71.71123	0.4
71.71513	0.7
72.01709	0.8
72.99327	2.8
73.02957	27.2
74.03274	0.4
75.00884	1.5
76.12891	0.4
81.03458	0.8
83.01402	11.3
83.05035	0.4
84.01687	0.4
85.02960	27.1
86.00117	2.1
86.93806	0.4
87.00895	3.9
89.02455	8.7
95.01401	3.6
97.02958	2.6
99.00896	12.6
99.04520	1.0
101.02462	56.8
102.02783	1.3
109.02986	0.9
109.45581	0.4
111.00920	2.1
113.02470	19.2
114.02793	0.5
115.04032	1.6
119.03566	0.5
120.99706	0.4
125.02488	3.9
127.11320	0.8
129.01956	1.2
129.12930	0.6
131.03540	3.3
135.04539	0.7
137.02423	0.6
143.03528	2.4
149.04568	1.0
159.03011	3.7
161.04588	18.4
162.04964	0.6
171.13875	0.6
173.04514	0.5
177.01978	0.5
191.05684	1.5
197.91975	0.4
199.13452	0.8
205.03503	1.2
233.06677	2.8
291.18146	72.6
292.18475	6.0
293.08804	0.7
335.17093	0.8
351.91315	0.4
423.22385	100.0
424.22690	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	423.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26214	1.7
51.64928	1.7
52.31526	1.8
57.03440	2.7
59.01388	3.8
61.98841	8.2
67.01897	1.9
68.50368	2.1
70.19849	3.7
70.20271	7.2
75.43238	1.7
115.39037	1.7
123.00906	15.9
125.18605	1.9
128.32251	1.7
133.91092	1.8
151.00398	94.5
152.00800	3.7
161.54042	1.8
166.02740	100.0
167.03102	3.8
181.05090	75.4
197.15492	25.9
198.15842	3.7
258.92294	2.2
301.78635	1.9
302.36066	1.8
339.39893	1.8
379.32251	8.8
414.58286	1.9
423.31311	8.1
424.31763	2.6
434.89597	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	423.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	13.8
59.01381	100.0
61.98829	16.3
66.46488	4.1
66.75694	3.5
71.01387	31.7
71.70804	6.8
72.99336	4.4
73.02958	8.4
75.00874	7.5
78.95908	4.3
83.01393	5.9
84.95137	27.4
85.02965	13.2
87.00902	6.0
87.04533	11.4
88.98819	6.2
89.02456	26.4
93.03477	18.9
95.01395	4.1
96.97000	6.0
99.04546	13.5
99.20314	4.1
101.02473	25.2
108.66767	3.6
111.04548	7.7
113.02483	19.0
115.04041	4.6
119.03547	4.9
125.02443	6.4
128.03610	3.8
135.04539	9.7
137.02454	6.9
143.03548	5.0
161.04576	11.6
173.04567	19.5
177.02101	4.8
179.05666	9.6
191.05635	46.4
201.11269	23.0
214.70198	3.7
215.02448	4.7
225.11359	6.6
232.00597	4.3
279.10846	4.8
285.08945	6.9
307.07806	6.4
363.16638	20.1
410.41656	4.7
423.10663	20.1
423.18036	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Kenusanone A
Peak:m/z	Relative Intensity
57.03448	15.2
59.01379	100.0
61.98819	23.6
70.03236	6.4
70.63387	5.7
71.01382	41.1
71.40943	13.4
73.02944	10.9
75.00899	9.2
83.01386	9.4
84.95119	53.6
85.02961	20.2
87.00879	13.2
87.04533	7.5
88.98832	7.8
89.02451	23.3
93.03480	37.2
94.03890	6.1
96.96017	8.0
96.96936	7.5
99.04514	13.6
101.02459	17.1
109.02962	6.3
113.02440	17.4
125.02441	12.6
137.02481	10.9
151.00383	8.1
159.68434	6.4
161.02486	7.8
173.04630	39.1
179.03548	8.3
191.05623	61.8
201.11266	19.5
243.02980	10.1
247.07144	16.6
249.28644	6.4
311.06567	8.5
341.45163	7.2
343.09262	11.3
360.09650	9.3
361.10629	8.8
363.16611	12.9
366.10721	6.2
382.10718	8.0
405.09430	9.6
408.70358	7.9
423.10950	38.6
423.17816	77.0
424.11053	8.2
424.18106	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	421.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46101	0.2
58.00584	0.7
59.01380	100.0
60.01718	1.3
60.65157	0.2
61.74923	0.2
62.39252	0.2
64.02404	0.2
71.01385	10.3
72.99327	0.4
75.00910	0.2
85.02967	1.2
87.00904	0.6
89.02455	15.9
90.78263	0.2
95.01408	0.6
96.21174	0.2
101.02457	5.3
101.03085	0.3
104.61317	0.2
107.03526	0.2
113.02468	4.6
119.03520	5.8
125.02521	0.2
131.03566	0.7
133.12537	0.2
136.86806	0.2
137.40567	0.2
143.03506	1.2
149.04611	0.7
161.04578	1.2
175.10628	0.2
179.05638	4.4
206.15100	0.2
227.39287	0.2
272.75470	0.2
418.40955	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15526	0.4
59.01382	100.0
60.01719	1.3
61.98828	2.3
68.50973	0.5
69.50272	0.4
69.50597	4.2
71.01382	4.0
73.02969	0.7
83.01369	0.4
85.02966	1.5
89.02479	1.8
95.01417	0.4
101.02457	2.9
113.02482	5.0
114.02866	0.5
119.03549	0.9
131.08345	0.5
151.67815	0.4
161.04578	2.3
163.11345	0.4
171.64192	0.4
172.06989	0.4
179.03532	0.5
187.20056	0.5
191.05632	0.4
199.17055	71.7
200.17400	6.2
213.18616	1.8
221.06647	0.6
241.18143	2.3
260.82010	0.4
290.21277	0.5
291.21478	0.9
334.64758	0.8
347.55359	0.4
361.22275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
61.98837	100.0
67.01109	0.3
69.44952	2.8
77.95361	0.3
81.61245	0.3
89.02502	0.3
93.03491	0.6
97.88633	0.3
98.20701	0.3
98.35829	0.3
154.54866	0.3
173.04602	0.5
177.56590	0.3
199.78658	0.3
422.26614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0757
Annotation	Sucrose 6-phosphate
Peak:m/z	Relative Intensity
53.78830	2.0
55.70683	2.0
55.76377	1.8
57.03450	39.9
59.01090	2.8
59.01384	52.7
60.99301	4.3
71.01039	2.7
71.01393	32.8
71.70329	2.0
72.99297	2.0
73.02959	19.0
78.36550	1.9
78.91898	3.5
78.95916	30.4
83.01389	8.7
85.02953	7.0
87.00887	4.9
88.98823	28.2
89.02451	33.6
91.94335	1.9
92.34793	1.6
95.01387	2.8
96.96027	57.6
96.96960	23.8
97.02963	2.0
99.04537	37.7
101.02456	32.9
103.92049	2.5
109.02983	2.1
109.78424	1.8
111.00903	2.9
113.02466	14.6
113.06152	2.2
114.93414	2.8
117.01959	3.5
118.98119	2.1
119.03497	10.5
123.04529	9.7
125.02467	14.1
131.03525	2.6
141.05597	4.1
143.03506	7.4
145.01456	1.8
149.04533	3.3
150.98041	3.0
153.05609	2.8
154.91545	1.7
158.85031	1.6
161.04593	71.7
162.04860	2.6
179.05644	22.7
191.05635	5.2
203.05627	3.5
204.06378	1.9
233.06644	8.1
241.01157	2.9
263.07684	22.7
264.08099	3.1
323.09836	100.0
324.10178	8.5
397.90817	1.8
421.07501	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	421.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21455	0.8
57.03180	1.3
57.03451	26.1
58.00620	0.7
58.02983	2.2
58.07651	0.8
59.01381	32.5
61.98559	1.1
61.98834	13.3
69.71722	6.9
70.02978	9.5
71.01395	9.2
71.05032	10.8
73.02938	4.5
82.36629	0.8
83.01394	2.3
85.02957	3.4
87.05647	5.3
89.02467	4.6
93.03460	1.3
95.01389	0.9
99.04535	25.1
101.01849	1.3
101.02461	12.0
101.06093	0.8
108.02142	1.2
111.00896	2.8
113.02485	4.5
113.99581	0.8
115.05139	1.5
116.07220	1.7
119.03535	2.0
123.04530	2.7
125.02478	7.3
129.05560	1.4
130.03368	6.9
131.03593	1.3
135.04546	1.0
143.03554	1.1
146.08257	71.6
147.06017	4.1
147.08577	2.1
148.99107	1.8
161.04558	3.8
173.04552	3.1
175.03935	1.0
179.05551	1.2
191.05612	2.2
198.54443	0.8
199.09808	1.3
205.97893	0.8
208.03694	1.6
217.11932	16.8
223.06146	3.5
265.23083	1.0
277.12286	100.0
278.12616	9.3
292.54193	0.9
319.13748	1.6
361.17773	0.9
377.18109	7.3
421.08170	0.9
421.13498	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01383	4.7
61.98840	2.3
65.94168	0.4
66.14404	0.4
70.58167	0.4
71.01397	1.5
72.50251	0.4
81.03471	1.4
85.02967	1.8
87.00890	1.2
89.02468	0.4
90.21758	0.4
93.03481	1.4
95.01410	1.0
98.20750	0.9
99.04541	1.4
107.05046	0.7
108.02190	100.0
109.03007	23.3
110.03324	1.0
111.00896	7.5
113.02507	0.6
121.02989	1.5
122.02503	10.2
123.00933	1.0
123.04521	0.9
133.02983	1.0
135.04533	1.0
151.04036	2.4
152.01175	66.9
153.01973	29.7
154.02292	1.4
158.06230	0.5
163.04021	2.4
165.01924	1.4
173.00873	0.6
173.04576	0.7
179.03610	0.5
185.04939	0.5
186.05594	3.0
191.05667	0.8
195.01280	0.9
202.99016	0.5
214.05128	1.3
225.04050	0.6
241.07472	0.6
242.07706	0.6
295.28671	0.4
297.06174	1.0
376.10413	0.7
420.09372	81.6
421.09753	11.0
421.16373	14.5
442.17651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07790	0.2
53.80907	0.2
57.03450	0.3
59.01382	14.2
60.01731	0.2
61.98830	0.4
63.86628	0.2
68.99809	0.3
70.62598	0.4
70.62962	0.4
71.01385	0.7
83.01366	0.2
85.02962	1.6
86.53835	0.2
93.03452	0.8
94.03819	0.3
95.01423	0.3
98.20575	0.2
101.02463	0.5
109.02972	0.3
111.04551	0.6
113.02481	1.7
115.92085	0.2
119.03526	0.3
127.50365	0.2
135.04565	0.7
137.02454	0.3
138.02844	0.2
138.05627	0.2
153.12837	0.5
155.03543	0.3
155.14430	0.3
173.04590	0.4
179.03568	0.3
179.14519	0.2
191.05644	0.3
191.16145	0.2
193.15984	0.2
197.15497	100.0
198.13986	0.4
198.15831	7.9
221.29079	0.2
239.16589	1.4
394.35382	0.2
419.20892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.2
59.01385	1.2
61.98833	100.0
62.98540	0.1
65.76883	0.1
70.11288	0.3
70.11697	0.5
70.93029	0.1
71.01388	0.4
74.99159	0.1
78.95933	0.2
83.01419	0.1
83.44967	0.1
86.96343	0.1
87.44939	0.1
88.98847	0.2
89.02464	0.2
92.41100	0.1
98.19891	0.2
101.02460	0.2
109.02211	0.3
109.02964	5.2
109.20783	0.1
110.03326	0.4
111.00803	0.1
115.07651	0.1
119.05049	0.2
122.99139	0.2
123.04570	0.1
125.02454	0.2
129.03482	0.2
135.04565	0.2
137.02509	0.3
145.03040	0.1
146.03772	0.3
147.04556	2.2
151.04002	0.2
152.03589	0.3
154.01511	0.3
156.50540	0.1
158.03741	0.3
159.04536	7.2
160.04874	0.4
161.02408	0.2
173.04562	0.2
179.03568	0.6
180.03941	0.1
191.05672	0.2
194.05916	0.4
195.06236	0.2
209.08241	0.5
210.08662	0.2
254.50317	0.1
256.09851	0.5
257.10263	0.6
258.10452	0.6
269.08170	3.1
269.10892	0.2
270.08670	0.3
313.07230	0.4
347.24588	0.3
357.06177	0.8
419.20636	0.2
420.05746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.2
57.63197	0.6
59.01382	100.0
60.01715	1.1
61.98839	2.0
62.54605	0.7
71.01382	5.3
71.70446	0.7
72.00930	0.6
72.99318	0.8
73.02969	0.8
74.72269	0.6
75.00871	0.9
83.05070	0.7
85.02966	3.1
87.00890	0.7
88.98830	1.6
89.02467	7.9
93.03470	42.7
94.03815	1.6
97.06598	1.8
99.04556	1.3
99.08215	1.0
100.04072	1.7
101.02477	3.7
109.02970	1.1
111.04528	0.8
113.02454	3.3
113.09777	0.7
117.03468	0.6
119.03527	3.2
121.19668	0.6
123.08146	1.0
125.02451	0.7
127.11261	0.6
137.02469	98.7
137.09787	0.9
138.02812	5.9
148.01764	0.7
153.12886	17.7
154.13225	1.7
157.12355	0.6
161.04599	0.8
171.13934	1.2
173.04573	1.4
176.01195	0.6
177.01953	2.6
179.05618	2.3
179.10780	5.7
180.11206	0.8
181.14426	0.6
189.01936	2.6
191.05620	2.8
193.24490	0.8
197.11850	33.9
198.12186	2.5
201.02011	1.2
201.14880	1.1
216.00645	4.5
217.01398	3.2
221.11807	0.8
229.01381	2.0
242.02098	1.3
257.17560	1.0
281.06808	3.5
373.29626	1.3
401.29034	3.0
419.11557	7.6
419.20920	3.0
419.30170	46.3
420.11734	1.3
420.30487	7.2
421.76193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42568	0.4
55.01886	0.4
57.03447	0.9
57.57624	0.5
58.00615	0.7
59.01382	100.0
60.00374	0.4
60.01728	1.2
61.98832	2.5
67.36785	0.4
71.01391	10.3
71.04451	1.1
72.99316	0.6
73.02943	2.3
75.73794	0.4
78.53371	0.4
82.70214	0.4
82.95436	1.4
83.01385	0.9
85.02962	3.4
87.00896	0.8
89.02457	8.7
91.72866	0.4
93.03468	0.9
95.01440	0.6
99.00915	1.0
99.04563	0.5
101.02464	8.1
108.02177	2.4
108.96249	0.4
109.02995	1.1
111.04565	0.4
113.02467	5.4
118.98082	0.4
119.03523	3.3
129.01961	0.4
131.03586	0.6
135.04581	0.7
137.02553	0.6
141.08601	0.4
143.03571	1.1
152.01212	1.3
153.02031	1.1
159.03035	0.6
161.02528	0.7
161.04575	8.9
173.04620	0.7
178.87910	0.4
179.05676	1.9
179.10822	0.6
191.05652	2.0
194.39030	0.4
195.01453	0.5
195.13966	0.7
265.14740	0.5
359.17130	20.8
360.17453	2.5
375.20392	1.3
400.82285	0.4
419.19235	6.8
420.09692	2.1
420.19870	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	419.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.2
57.63197	0.6
59.01382	100.0
60.01715	1.1
61.98839	2.0
62.54605	0.7
71.01382	5.3
71.70446	0.7
72.00930	0.6
72.99318	0.8
73.02969	0.8
74.72269	0.6
75.00871	0.9
83.05070	0.7
85.02966	3.1
87.00890	0.7
88.98830	1.6
89.02467	7.9
93.03470	42.7
94.03815	1.6
97.06598	1.8
99.04556	1.3
99.08215	1.0
100.04072	1.7
101.02477	3.7
109.02970	1.1
111.04528	0.8
113.02454	3.3
113.09777	0.7
117.03468	0.6
119.03527	3.2
121.19668	0.6
123.08146	1.0
125.02451	0.7
127.11261	0.6
137.02469	98.7
137.09787	0.9
138.02812	5.9
148.01764	0.7
153.12886	17.7
154.13225	1.7
157.12355	0.6
161.04599	0.8
171.13934	1.2
173.04573	1.4
176.01195	0.6
177.01953	2.6
179.05618	2.3
179.10780	5.7
180.11206	0.8
181.14426	0.6
189.01936	2.6
191.05620	2.8
193.24490	0.8
197.11850	33.9
198.12186	2.5
201.02011	1.2
201.14880	1.1
216.00645	4.5
217.01398	3.2
221.11807	0.8
229.01381	2.0
242.02098	1.3
257.17560	1.0
281.06808	3.5
373.29626	1.3
401.29034	3.0
419.11557	7.6
419.20920	3.0
419.30170	46.3
420.11734	1.3
420.30487	7.2
421.76193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0987
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
57.03455	1.1
58.00574	0.4
59.01382	10.8
61.98840	2.7
63.02400	5.2
65.00327	6.4
65.92545	0.4
67.01874	0.5
68.23025	0.5
69.11913	0.4
71.01385	4.5
71.69749	0.4
73.02956	0.7
76.66370	0.4
78.95927	0.5
81.03451	0.7
83.01398	5.8
85.02960	0.9
87.17230	0.4
87.35107	0.4
89.02450	4.7
93.03479	2.5
95.01399	1.0
97.02991	0.5
101.02451	1.1
107.01413	12.9
109.02965	1.6
111.00883	1.3
113.02473	0.6
116.92922	0.5
117.03481	3.5
119.05065	1.7
120.04565	0.9
121.02997	0.6
121.04890	0.7
123.00926	2.2
123.04554	4.1
124.01683	7.6
124.04838	1.2
125.01655	0.5
125.02479	7.3
133.02945	0.7
133.54529	0.5
133.73250	0.5
134.03764	2.6
135.04559	4.8
137.02499	1.4
139.00410	3.0
141.01956	1.0
145.03029	0.6
146.82899	0.4
149.02458	1.2
150.05533	0.7
151.00394	43.4
152.01181	48.2
153.01495	2.1
154.02614	0.5
155.05003	0.6
159.04564	0.9
161.02390	0.7
166.02745	2.4
169.01472	5.3
169.06712	0.8
173.04543	1.8
173.06126	0.8
177.05573	1.5
178.02731	0.6
178.99884	46.1
179.03207	0.9
180.00247	2.6
181.05061	3.6
181.06657	1.2
183.04503	1.0
191.05611	2.5
191.07173	0.8
192.04253	0.5
193.01509	0.5
193.05032	0.9
197.06082	1.4
201.05566	1.1
215.07185	0.7
225.05598	3.2
241.04988	1.0
243.06450	0.7
250.71472	0.5
256.03708	0.5
256.09695	4.8
257.10104	6.4
259.06165	4.9
260.06442	0.6
269.04541	100.0
270.04865	10.2
286.04797	4.6
287.05603	2.7
293.06784	0.6
359.11444	0.8
371.15289	0.7
389.16077	3.9
390.16269	0.6
404.15063	0.7
419.09845	65.8
419.21838	2.8
420.10181	10.2
420.22784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.9715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.8
59.01383	30.5
61.98838	8.0
64.86393	1.3
65.00323	2.5
67.01917	2.3
68.99846	1.8
69.03459	2.5
71.01391	12.9
71.69884	2.4
73.02964	3.2
75.00884	1.3
82.95434	3.2
83.01406	6.2
84.93903	2.4
85.02979	6.2
87.00893	3.0
89.02451	10.0
90.02842	1.6
93.03467	9.5
95.01407	5.6
95.05024	1.9
96.96049	6.7
98.95601	8.1
98.96456	2.0
99.04565	2.9
99.92600	100.0
100.92619	6.0
100.93392	7.9
101.02466	5.3
102.98587	6.6
108.02200	3.0
109.02978	51.2
109.59097	1.4
110.03309	5.4
110.95458	2.2
111.00904	2.9
111.04561	3.2
111.18757	1.4
113.02474	4.4
115.92096	53.3
116.92881	94.4
117.92880	6.3
117.93677	5.3
119.03542	3.0
122.95444	3.9
123.00893	9.8
123.04612	1.8
124.93444	1.6
125.02477	2.6
133.02974	2.1
134.02521	6.9
134.95428	1.6
135.02916	1.7
135.04553	8.9
136.01714	2.5
136.04033	1.8
137.02472	76.1
138.03040	2.0
139.00400	4.2
140.92874	4.5
142.94470	3.2
145.03003	3.3
146.95502	1.5
149.02487	2.7
150.94891	2.2
151.00403	19.3
152.89374	1.6
153.01965	5.3
155.03584	2.1
161.02429	3.3
161.04529	1.6
163.00363	7.2
163.04063	1.6
164.00900	1.6
164.96600	1.9
166.99951	1.7
171.04529	2.1
173.02486	2.0
173.03169	1.3
173.04597	13.4
174.04915	1.4
175.04068	1.8
177.01761	1.4
179.03540	4.0
179.05635	1.3
183.03014	2.6
187.03920	1.5
191.05655	20.9
191.95224	3.3
192.06029	2.6
192.95958	2.7
193.93184	5.0
194.08191	6.7
194.93976	2.5
195.94691	2.3
199.04054	1.7
201.01936	2.2
203.03391	1.3
203.07198	2.3
206.93918	4.7
207.94600	2.0
208.95509	4.0
210.93440	8.5
213.01979	2.3
219.94876	2.2
220.95470	7.8
221.96112	3.4
223.94119	2.7
224.94940	3.1
225.02023	3.0
226.02751	3.5
229.01472	2.1
234.93402	5.1
235.94193	13.6
236.94991	28.1
237.95386	3.1
238.08775	2.8
238.96515	3.5
240.94412	3.3
241.01561	4.6
243.03004	2.5
244.95583	1.6
250.92534	1.5
252.94553	3.3
254.97720	1.5
256.06082	8.6
257.06531	4.9
264.94452	59.0
265.94739	9.1
268.95609	2.9
270.63937	1.5
270.97153	2.2
271.02560	6.0
272.94928	1.8
274.96521	4.4
282.95428	20.6
283.95654	2.0
284.95102	2.6
286.96588	3.4
296.94962	3.9
298.96579	3.5
302.95877	1.9
310.96506	4.0
311.96771	1.5
312.94565	3.7
313.95093	1.8
314.96039	4.4
324.94473	25.3
325.94739	4.9
326.96042	4.4
328.93954	3.1
328.97623	3.6
338.96036	47.7
339.96417	8.4
340.93973	3.7
341.94888	2.3
342.95541	6.2
343.95804	1.7
347.12485	1.6
352.93991	14.5
353.94186	2.3
354.95355	6.4
356.97131	37.8
357.97272	6.4
368.93677	2.7
370.95078	8.3
377.22101	2.1
382.95068	2.3
388.96103	3.4
400.96100	80.2
401.96286	15.9
410.61819	1.6
418.97134	18.6
419.13229	2.9
419.18887	5.6
419.23013	5.3
419.97372	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	418.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39229	0.3
57.03443	0.6
59.01382	4.5
61.98835	100.0
67.01916	0.4
70.98724	0.5
70.99072	0.7
71.01398	2.4
72.01737	0.4
73.02975	0.5
84.95059	0.3
85.02956	1.6
87.00909	0.6
89.02464	1.3
93.03474	2.5
99.00884	0.3
101.02489	1.1
109.03021	0.4
109.77419	0.4
111.04546	0.5
113.02498	0.6
116.92986	0.4
119.03568	0.5
121.02959	0.3
125.02469	0.7
127.04034	0.4
127.16976	0.4
135.04562	1.3
137.02512	0.5
140.07924	0.3
155.03629	0.4
160.01706	0.4
161.04617	1.0
163.04076	0.4
172.45984	0.3
173.04552	4.0
174.04938	0.6
175.04085	0.6
179.03568	0.6
184.24657	0.4
191.05647	6.0
192.06024	1.0
208.10921	0.3
228.26784	0.3
255.06534	0.4
267.06552	0.4
312.74390	0.3
389.23239	0.4
417.18954	0.4
418.18219	1.1
419.19424	0.5
438.39038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39229	0.3
57.03443	0.6
59.01382	4.5
61.98835	100.0
67.01916	0.4
70.98724	0.5
70.99072	0.7
71.01398	2.4
72.01737	0.4
73.02975	0.5
84.95059	0.3
85.02956	1.6
87.00909	0.6
89.02464	1.3
93.03474	2.5
99.00884	0.3
101.02489	1.1
109.03021	0.4
109.77419	0.4
111.04546	0.5
113.02498	0.6
116.92986	0.4
119.03568	0.5
121.02959	0.3
125.02469	0.7
127.04034	0.4
127.16976	0.4
135.04562	1.3
137.02512	0.5
140.07924	0.3
155.03629	0.4
160.01706	0.4
161.04617	1.0
163.04076	0.4
172.45984	0.3
173.04552	4.0
174.04938	0.6
175.04085	0.6
179.03568	0.6
184.24657	0.4
191.05647	6.0
192.06024	1.0
208.10921	0.3
228.26784	0.3
255.06534	0.4
267.06552	0.4
312.74390	0.3
389.23239	0.4
417.18954	0.4
418.18219	1.1
419.19424	0.5
438.39038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.93230	0.2
60.01728	1.2
61.01826	0.3
61.98835	0.8
67.01916	0.2
68.28538	0.2
69.49090	1.0
69.49516	1.3
71.01402	0.4
78.95922	0.3
82.00595	0.2
85.02969	0.5
87.00887	0.3
93.03481	1.1
98.20699	0.4
99.04272	0.2
111.04561	0.5
121.02982	1.0
135.04596	0.2
142.29671	0.2
169.10880	0.2
173.04596	1.0
179.03525	0.3
191.05679	2.1
349.72025	0.2
417.08310	0.8
417.28625	0.9
424.22968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89107	0.2
55.52994	0.2
59.01381	100.0
60.01711	1.6
61.19609	0.2
61.46953	0.2
69.50729	0.9
69.51156	1.3
70.08358	0.2
71.01414	0.3
155.47116	0.2
191.05713	0.4
192.35028	0.2
305.88025	0.2
378.45581	0.2
417.28940	0.3
424.02246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14394	1.0
59.01381	7.6
61.98836	46.0
64.38054	1.1
69.03468	2.1
69.27162	1.1
71.01386	1.7
71.05025	3.3
71.70163	2.0
72.99336	3.0
75.00883	4.5
85.02982	1.8
86.22346	1.3
89.02439	1.4
99.04552	2.0
111.04571	1.1
112.98844	2.3
121.02933	1.4
124.01662	3.9
135.03049	8.3
142.99886	3.2
152.01151	1.4
173.00998	1.5
191.05493	1.2
195.17560	24.6
196.18001	2.3
205.00395	1.1
207.17534	13.7
211.17020	1.5
223.17097	6.1
225.18567	1.5
235.17003	3.8
236.17479	1.3
251.16492	14.0
252.16940	1.9
263.16519	1.3
279.16022	100.0
280.16345	10.0
281.17554	3.3
291.15860	1.6
307.15796	1.4
317.21304	1.8
417.27002	2.8
434.33322	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62451	0.3
55.01880	1.4
57.03450	1.6
58.99604	1.6
59.01382	100.0
60.01713	1.0
61.98832	2.5
64.18207	0.4
67.01920	0.5
69.03482	0.4
70.47743	1.5
71.01389	26.8
72.99342	0.6
73.02957	7.8
75.00890	0.5
78.95927	0.9
79.69536	0.3
83.01402	3.3
85.02962	11.5
86.03318	0.4
87.00906	1.2
89.02455	2.7
93.03465	3.9
95.01392	1.8
96.96043	1.4
96.96942	0.5
97.02968	1.1
99.00893	3.5
101.02457	17.4
102.98615	7.0
107.01419	1.7
109.03001	1.3
111.04566	1.0
113.02472	10.6
113.03255	0.7
114.02803	0.4
125.02464	1.2
126.11821	0.3
131.01410	0.5
132.04614	0.4
135.04590	1.0
137.02477	1.0
143.02571	0.5
143.03496	1.8
151.00401	0.5
155.03534	0.6
159.02992	3.1
161.04582	35.9
162.04955	0.9
165.09210	4.5
173.04578	4.9
174.04912	0.6
179.03549	1.0
191.05634	7.0
192.06056	1.2
205.03612	1.1
218.99414	2.3
237.00417	2.5
238.41953	0.4
256.09818	1.7
267.06805	0.5
348.18826	0.4
357.15570	22.2
358.15863	2.1
375.20441	0.4
417.13141	0.4
417.17892	1.4
417.22717	0.5
419.80652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
57.03444	1.1
58.00585	1.6
59.01382	100.0
60.01731	1.5
60.99287	0.5
68.55176	0.5
69.36897	4.7
71.01389	29.1
72.01719	0.5
72.99321	1.6
73.02955	4.0
81.03468	0.5
83.01408	1.8
83.05037	0.4
85.02960	8.5
86.03338	0.5
87.00899	2.0
89.02455	23.1
90.59431	0.4
93.03471	3.3
95.01414	2.0
98.19865	0.9
99.00916	1.8
99.04557	0.5
101.02457	15.9
102.02790	0.5
102.98608	0.4
106.74872	0.5
109.02989	0.9
111.04543	1.1
113.02465	14.0
113.03244	0.7
114.02837	0.6
119.03519	10.8
125.02491	0.7
129.37814	0.5
131.03503	0.9
133.10281	0.6
135.04556	3.0
137.02475	0.8
143.03523	3.4
149.04596	1.1
155.03525	0.6
159.03012	1.4
159.62637	0.4
161.04576	21.1
162.04962	1.0
173.04582	5.5
177.09239	5.4
179.03624	1.0
179.05629	7.6
187.07706	0.9
191.05643	13.2
191.07353	0.8
192.06061	1.0
195.10291	1.5
357.15573	30.9
358.15964	3.4
417.12823	1.0
417.17856	1.4
417.22708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90596	0.2
61.98832	100.0
62.98545	0.2
84.49530	0.2
108.90218	0.2
122.00927	0.2
124.34227	0.2
137.02315	0.2
155.64439	0.2
163.57652	0.2
179.03572	0.2
191.05678	0.4
225.24707	0.2
264.19785	0.2
265.69238	0.2
269.67328	0.2
346.15704	0.2
349.63837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06903	0.2
59.01378	1.4
59.25060	0.3
61.18093	0.3
62.70808	0.2
65.00340	0.3
69.81578	1.8
77.15134	0.3
77.46995	0.3
83.01385	0.3
85.02934	0.3
85.23498	0.2
87.00877	0.4
90.08111	0.3
93.03463	1.2
107.01404	0.7
113.32275	0.3
125.09675	0.3
132.02191	0.3
135.00848	0.5
135.04555	0.6
137.02478	0.3
151.00404	1.9
157.06665	0.3
159.04526	0.3
163.00458	0.5
164.01051	0.3
166.02754	0.5
169.06558	0.3
171.04463	0.4
173.04565	1.0
178.99815	0.4
181.05038	0.8
183.04507	1.0
185.06169	0.4
187.03961	0.4
191.05627	1.4
211.03993	1.4
213.05637	0.4
227.03508	67.1
228.03831	5.6
229.05037	2.0
239.03505	0.5
241.05090	0.6
243.03139	0.4
243.61075	0.2
255.02983	89.6
256.03534	12.7
257.04385	1.7
269.04422	0.4
270.01730	0.4
284.03265	81.5
285.03885	24.3
286.04327	1.6
327.05106	0.8
417.08292	100.0
418.08652	14.3
418.13290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57961	0.3
69.08739	0.4
69.61523	3.4
69.61868	0.6
74.44742	0.4
83.01369	0.7
93.03469	0.5
107.01398	0.7
151.00365	1.8
163.00354	0.5
183.04515	1.3
211.03995	1.4
213.05557	0.4
227.03503	69.9
228.03862	7.9
229.04982	1.2
239.03563	0.5
255.02980	93.2
256.03555	14.9
257.04373	1.6
269.04367	0.4
284.03259	88.1
285.03915	30.7
286.04385	2.2
327.05182	1.0
417.08286	100.0
418.08615	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	417.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90401	0.9
57.03444	1.7
59.01387	8.0
61.98830	2.6
62.04808	0.7
65.00337	2.0
65.99803	0.7
67.01891	1.2
71.01398	2.7
71.71770	0.7
72.99360	0.8
73.02978	1.1
75.00872	1.4
81.03468	1.5
82.00613	1.2
85.02962	2.7
86.98511	0.7
89.02436	1.5
93.03477	4.8
95.01402	1.4
95.05043	1.0
96.96069	0.8
97.02950	5.1
99.00929	1.8
101.02400	1.0
105.03497	2.2
108.02180	0.9
109.02967	4.0
110.00114	5.0
111.00928	1.4
111.04515	1.3
112.98796	1.0
114.93392	1.3
121.02985	2.1
123.00942	2.2
123.04517	1.3
125.02479	6.9
125.06086	0.8
125.99628	4.5
126.00411	0.8
133.02982	2.1
134.03802	0.9
135.04555	4.1
136.04037	1.0
137.02467	19.0
137.99606	6.1
138.02945	0.7
139.00401	2.7
139.04030	1.6
141.01913	1.3
149.02487	7.8
150.03232	1.5
151.04056	6.0
151.07741	0.7
152.01180	2.0
153.01956	70.1
153.99077	3.3
154.02319	3.0
155.03511	4.6
161.02463	29.4
162.02826	1.2
163.04103	1.1
164.04828	3.0
165.01888	1.1
165.05589	3.8
168.04300	73.4
169.04645	3.4
173.04623	4.4
173.05888	0.9
176.04808	19.6
177.01942	40.0
177.05229	1.6
178.02715	14.0
179.03519	54.3
180.03934	1.7
191.05612	9.5
191.07179	7.4
192.04311	55.5
192.05917	3.5
193.04985	8.1
194.05850	50.3
195.06223	3.6
207.06639	100.0
208.06932	5.6
209.08203	68.3
209.10269	1.9
210.08565	5.1
219.10242	1.3
227.03540	2.3
242.65463	0.8
255.02925	3.0
256.09802	2.5
258.81454	0.9
262.08408	0.8
281.06699	1.1
284.03229	2.6
285.04114	1.3
295.02472	1.0
309.08813	1.0
313.93610	0.8
341.11230	1.0
368.12759	1.9
373.14304	1.0
387.14462	8.0
399.10028	1.2
399.14578	12.4
400.14862	2.1
403.36038	0.8
417.07703	1.8
417.15833	23.2
417.21371	1.5
417.23285	1.5
417.28595	2.2
418.15689	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	416.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
61.98835	14.9
62.24585	1.0
67.01910	2.3
71.01414	3.0
71.01878	2.0
83.05071	1.1
85.02973	5.6
87.00882	1.2
93.02924	1.9
93.03473	20.9
94.03789	1.2
107.04977	1.1
109.02983	1.7
111.04530	5.6
127.04013	1.5
133.02992	1.4
134.03796	2.5
135.04555	60.1
136.04858	2.9
137.02483	5.8
155.03566	7.0
161.02455	3.5
173.04578	100.0
174.04884	5.1
179.03519	67.4
180.03912	5.1
183.41109	1.3
191.05632	50.0
192.06023	2.3
257.25467	1.2
353.08789	75.4
354.09195	8.4
354.15866	1.1
359.08948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01744	0.3
57.03422	0.3
59.01365	0.4
59.35968	0.2
61.98829	1.5
63.30816	0.2
71.70854	0.3
71.71263	0.3
77.50635	0.2
85.02919	0.4
93.03468	1.6
105.99133	0.3
109.02967	5.1
119.05041	0.4
120.04568	11.7
121.02977	5.4
121.04862	0.6
122.03699	0.6
123.04551	1.0
130.02939	0.3
131.03770	0.6
133.02985	1.8
134.02457	1.6
135.04541	0.5
145.02991	0.5
145.57269	0.3
146.06125	0.7
147.03369	0.5
147.04539	1.4
148.04076	3.6
149.04849	10.3
150.05193	0.6
151.00343	0.3
151.04004	0.6
159.04527	6.1
163.00330	0.4
165.05606	0.4
168.00620	0.4
173.04578	1.5
176.03551	1.0
177.01967	0.3
179.03572	0.3
179.54556	0.3
191.05614	3.3
208.07730	0.4
227.03506	1.8
227.07115	2.3
228.07581	0.3
236.07158	2.6
237.02330	0.3
237.07848	0.8
253.07463	0.6
254.08223	100.0
255.02995	2.6
255.08559	10.4
256.03922	0.4
269.08215	2.8
271.02518	0.6
284.03299	2.0
285.03979	1.8
300.02777	0.9
301.03586	1.0
416.13281	2.0
417.08109	3.2
417.12698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16290	0.4
59.01389	0.6
61.98833	12.0
66.73635	0.3
67.01888	0.4
68.26522	0.4
71.01383	0.6
71.18739	0.7
85.02962	5.1
87.00886	1.2
93.03482	2.8
94.13960	0.4
101.21121	0.4
105.66768	0.3
109.02940	0.4
111.04549	0.9
127.04012	1.3
133.02988	0.6
135.04581	2.5
157.33310	0.3
161.02412	1.6
171.02979	0.6
173.04601	3.6
179.03540	2.4
191.05630	100.0
192.05974	4.9
194.05534	0.4
194.41556	0.4
224.18970	0.3
224.95261	0.3
353.08786	12.9
354.09076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01710	1.4
70.90361	0.4
70.90729	0.4
71.01400	0.6
73.02978	0.3
85.02948	0.3
89.02469	0.3
93.03495	0.3
101.02467	0.7
103.31965	0.2
113.02473	0.3
135.04578	0.9
146.80029	0.2
161.04630	0.6
163.04034	4.2
173.04610	0.5
178.06369	5.2
179.03534	0.2
179.06831	0.3
191.05652	1.2
193.08714	7.8
194.09105	0.6
202.58424	0.2
415.20660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10041	0.2
57.03460	0.5
59.01383	100.0
60.01723	1.1
60.57459	0.2
61.66228	0.3
61.98837	1.7
63.26536	0.3
63.87849	0.2
71.01392	1.0
71.72369	0.3
73.02977	0.6
83.01370	0.4
85.02962	0.6
87.76444	0.2
88.98820	0.3
89.02479	0.3
90.02092	0.3
93.03493	0.5
101.02490	0.8
108.02163	0.3
113.02506	0.7
119.05076	0.7
120.04601	0.3
125.02515	0.3
125.06100	0.3
131.92958	0.3
135.04585	0.8
145.87846	0.2
151.00517	0.3
161.04668	0.5
163.04050	0.4
173.04625	0.7
177.01990	0.9
179.03505	0.5
191.05617	3.1
192.04376	0.9
207.06581	1.3
253.07158	0.7
265.82086	0.3
311.05643	0.3
331.17636	0.4
353.09009	0.7
415.10449	0.5
415.21603	0.4
415.27966	0.3
415.54962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
58.83804	0.3
59.01383	100.0
59.97950	0.3
60.01721	1.3
61.98837	2.1
69.03477	0.3
71.01385	2.9
71.69782	0.4
72.68330	0.4
73.02948	1.0
74.45306	0.3
80.07320	0.3
80.42129	0.4
81.60902	0.3
83.01418	0.7
83.05072	0.4
85.02972	1.9
87.00921	0.6
89.02472	1.3
93.03486	2.2
97.06632	0.5
99.04572	0.6
101.02451	2.4
102.98620	0.4
109.03004	0.8
111.04577	0.6
113.02464	1.7
117.97353	0.8
119.03529	0.6
121.02996	0.3
123.04564	0.5
124.01726	0.3
125.02509	0.9
128.79787	0.3
133.03006	0.4
135.04555	2.5
137.02507	1.1
145.03035	0.4
148.04062	0.4
161.02481	0.7
161.04561	1.6
163.04041	3.5
165.05597	0.4
173.04581	4.8
173.06024	0.4
177.01974	0.4
178.06409	2.9
179.03491	1.8
187.09857	0.4
191.05621	8.7
193.08727	3.4
252.06769	0.5
254.08339	1.0
271.02695	0.5
353.08688	2.1
353.95770	0.3
371.24344	0.3
383.09811	0.3
415.13730	0.5
415.20932	1.1
417.56616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35553	0.3
55.01884	0.4
55.69879	0.2
55.81953	0.3
57.03447	0.7
59.01376	2.5
60.08873	0.3
61.98819	1.3
67.01918	0.4
69.03465	3.3
70.79033	0.3
71.01402	2.0
71.41460	0.6
72.99333	0.3
73.02948	0.4
75.04434	0.3
79.01910	0.4
80.43787	0.3
81.03461	1.5
83.01404	1.9
85.02942	0.8
87.00912	0.4
89.02444	1.1
93.03473	1.4
95.01370	1.6
95.73349	0.3
97.02963	3.2
101.02458	1.0
101.06099	3.2
107.01402	1.6
108.02200	0.4
109.02971	0.8
111.04541	0.6
113.02441	0.8
119.03551	0.5
120.04575	1.0
121.02944	1.4
123.00903	5.7
124.01689	19.1
125.02469	64.6
126.02816	2.4
133.02969	0.5
134.02509	2.2
135.04541	1.2
137.02457	3.6
139.04045	0.4
148.04099	0.8
149.04849	1.3
149.99609	35.7
151.00356	2.5
161.04575	0.4
165.02037	0.4
167.03519	0.9
168.00664	65.2
169.01369	5.1
173.04576	2.1
177.01964	0.3
179.03577	0.7
180.42439	0.3
191.05618	3.6
211.02463	0.5
236.07330	0.4
239.54526	0.3
254.08226	15.3
297.86331	0.3
313.05673	1.0
353.08789	0.9
397.11438	4.1
398.11752	0.7
415.12469	100.0
416.12833	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	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01384	4.7
60.59612	0.3
61.98826	2.0
62.15707	0.3
63.42194	0.3
69.03454	0.5
71.01382	4.9
73.02956	9.3
79.01903	0.4
81.03474	1.8
82.26231	0.4
83.01413	0.5
85.02967	5.9
85.48019	0.3
87.00885	0.7
87.04523	0.4
89.02466	0.8
93.03462	2.5
95.01398	3.6
97.02961	0.4
99.00910	0.9
101.02472	2.0
108.02194	69.8
109.02983	55.2
110.03304	2.2
111.04572	0.4
113.02454	1.6
117.05612	1.7
121.03001	1.4
123.00877	3.2
123.04548	0.6
125.02480	0.5
127.04063	0.5
131.04999	0.4
133.03006	0.6
133.05087	0.7
134.38091	0.4
135.00871	0.7
135.04497	1.7
137.02457	2.0
151.04025	1.0
152.01183	73.2
153.01973	24.2
154.02318	0.7
155.03520	0.4
159.03162	0.4
161.04576	1.1
163.04007	1.5
165.01936	1.5
173.04568	2.8
179.03525	0.8
183.84932	0.4
191.05647	4.7
193.08745	0.5
225.03914	0.6
228.42946	0.3
236.35988	0.3
244.22467	0.3
269.10324	0.6
296.47516	0.4
297.06171	0.7
315.07272	1.7
353.08780	1.1
371.09824	8.0
372.10416	0.4
397.11420	3.3
415.12463	100.0
416.12796	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
59.01386	6.1
60.33303	0.3
61.98832	1.1
62.34663	0.3
68.99802	0.4
69.03476	0.4
71.01394	4.8
71.71178	0.5
72.99313	0.4
73.02956	1.3
78.91903	1.2
80.91728	0.3
81.03476	1.5
82.56724	0.3
83.01401	0.8
85.02969	4.8
87.00884	0.6
91.26003	0.3
93.03477	1.7
95.01400	3.9
99.00905	1.1
99.04533	0.4
101.02470	1.6
108.02196	73.4
109.02983	54.0
110.03313	2.0
111.04457	0.3
113.02466	2.0
117.05600	0.8
121.02981	0.8
123.00906	2.8
123.04520	0.9
125.02476	0.5
133.02975	0.7
135.00957	0.8
135.04555	2.2
137.02504	0.5
151.04089	1.5
152.01183	76.6
153.01973	25.1
154.02319	1.4
155.03561	0.3
161.04617	0.7
163.04088	1.5
165.01965	1.1
167.03522	1.7
173.04602	2.1
179.03548	1.7
191.05652	3.5
195.03011	0.4
211.55252	0.3
267.09985	0.3
297.06293	0.9
315.07263	4.4
316.07632	0.5
335.07895	0.5
353.08820	0.6
357.08279	10.7
358.08652	0.9
371.09879	0.5
397.11380	4.5
398.11609	0.6
415.12473	100.0
416.12811	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	414.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.1
57.26064	0.1
59.01384	3.0
61.98839	0.6
65.25812	0.1
65.99835	0.1
66.64025	0.1
70.62831	0.2
70.63229	0.2
71.01398	0.1
71.43732	0.1
84.66093	0.1
98.19952	0.1
102.03516	0.2
107.01377	0.1
116.05098	0.1
119.05043	0.1
123.00915	0.3
124.01660	0.3
125.02465	0.2
126.17072	0.1
133.01749	0.2
134.02502	13.0
135.02887	0.6
137.02647	0.1
144.04572	9.7
145.04929	0.5
147.03270	0.4
151.00317	0.1
173.04576	0.2
181.02951	0.1
191.05595	0.2
196.07724	0.8
197.06104	0.4
220.74112	0.1
221.77321	0.1
223.06392	0.2
224.05165	0.1
224.07082	0.6
225.05618	0.7
235.06438	0.4
243.73335	0.1
251.05914	1.0
252.06657	100.0
253.06998	9.6
318.06314	0.1
414.11951	5.2
415.12405	0.9
415.21329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
58.55444	0.4
59.01384	2.1
61.98796	0.5
66.03490	1.4
69.03459	8.1
70.28918	1.1
70.29333	0.6
71.01385	0.9
71.05028	0.5
72.99319	1.1
73.03017	0.3
75.00880	21.0
75.13456	0.4
75.94258	0.3
80.05068	0.5
80.23719	0.3
82.02991	0.6
83.05035	0.4
84.04559	1.3
85.02989	0.5
86.00958	0.3
86.02498	3.0
87.00874	0.5
89.02456	1.1
94.02996	1.3
95.15777	0.3
96.00939	1.3
96.04556	0.7
97.03011	0.4
98.06133	0.9
98.20531	0.5
99.00908	0.9
107.00400	0.4
108.04575	1.7
110.02483	0.6
112.04061	5.0
115.00386	0.4
116.03568	3.8
117.01956	0.5
121.02988	0.4
124.00430	1.4
124.04125	0.5
126.05665	0.9
135.03027	18.1
139.02795	0.8
140.03490	0.6
142.05122	5.2
150.27823	0.3
153.12874	4.1
155.14432	0.5
156.03058	0.4
169.03813	1.0
170.04549	0.5
171.13928	2.2
179.14452	2.3
181.15993	4.9
182.04530	0.5
182.16396	0.5
193.15981	0.5
195.17560	1.0
197.15540	2.1
200.05655	0.9
201.02769	1.0
204.17570	0.9
209.15453	1.7
210.18600	1.0
211.17027	1.8
218.35106	0.4
220.17111	4.1
221.15421	0.4
222.18648	16.0
223.17053	0.5
223.18979	1.1
224.16460	0.5
232.16927	0.4
234.18736	1.0
235.15427	0.4
237.15079	1.9
238.18147	7.9
240.19598	0.5
248.16573	1.9
249.14928	0.5
250.14561	0.7
250.18076	2.4
252.19717	3.4
262.18085	2.0
264.16000	0.5
266.17599	10.4
267.17926	1.0
268.19183	5.2
278.17654	2.4
280.15604	1.1
280.19189	1.7
282.20758	0.4
292.19220	0.9
294.17145	2.3
295.17117	0.4
296.18680	100.0
297.15598	0.6
297.18997	11.1
306.17145	3.3
307.17471	0.3
310.20221	3.1
318.16956	0.5
324.18176	17.4
325.18503	1.5
336.18195	9.3
337.18494	1.0
352.21548	0.5
354.19287	8.8
355.19522	0.7
366.19266	0.6
396.20346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.3
59.01395	5.1
61.98838	2.2
66.03496	0.7
92.05085	7.3
98.20252	3.1
98.66325	0.6
115.92091	0.5
117.04614	2.2
118.03013	2.2
118.06659	0.8
119.42004	0.6
120.04601	1.1
131.01775	0.5
131.02797	1.0
131.03799	25.2
132.04593	26.3
133.04930	1.4
144.04590	6.5
145.04108	8.7
146.06134	7.9
157.05226	0.7
158.04926	1.0
158.06137	7.4
160.04077	0.5
167.06067	0.6
167.14439	5.4
171.05670	1.6
171.13954	0.7
173.04782	0.7
173.07224	9.3
183.17520	4.5
185.07233	2.9
201.10387	6.0
208.17122	2.1
209.19133	1.0
210.18652	100.0
211.18965	9.1
236.20221	9.3
237.20650	0.8
238.21742	3.8
239.21873	0.5
262.18289	0.9
280.19208	2.6
325.20377	2.1
341.22400	6.6
342.22586	0.8
369.25510	17.4
370.25705	2.1
413.24469	70.5
414.24783	11.9
438.79837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01726	1.1
61.98839	0.5
64.24253	0.3
71.26917	0.5
103.59825	0.3
150.09045	0.3
168.92012	0.3
221.65033	0.3
247.48604	0.3
257.07043	0.3
327.56439	0.3
413.36578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31607	0.7
59.01382	100.0
60.01713	1.2
61.98823	1.2
65.48097	0.5
65.56297	0.5
71.71413	1.0
73.03043	0.6
74.97593	0.5
97.53890	0.5
101.02477	0.7
115.14957	0.6
121.03032	0.8
135.04558	0.7
149.09737	24.8
150.10095	1.6
154.95404	0.6
173.04613	0.6
182.22424	0.5
191.21443	0.6
192.14485	0.6
199.31770	0.6
251.16393	3.5
252.06558	1.1
305.17606	0.7
342.68359	0.7
400.46793	0.7
413.21762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17229	0.6
55.30110	0.5
59.01384	49.1
60.99314	0.7
61.98827	2.3
65.88546	0.5
68.99822	1.9
69.03459	2.3
70.17507	2.5
70.71602	0.6
72.99323	1.0
85.02960	0.9
95.58102	0.6
98.27568	0.6
99.00925	0.9
116.28645	0.6
153.12918	0.8
173.04572	0.8
179.14452	7.8
181.16028	7.4
182.16272	0.8
195.13943	9.1
197.15492	100.0
198.15839	7.1
199.13403	1.0
209.15489	2.1
225.15016	2.3
237.14980	3.5
243.15987	0.8
243.77228	0.6
251.05876	1.0
252.06732	0.7
253.14444	23.0
254.14760	2.4
265.14459	8.1
266.08246	0.8
293.13922	8.6
294.14307	0.9
305.17456	0.9
309.17084	0.8
325.16498	1.1
383.07803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03450	100.0
58.03782	1.5
59.01381	85.4
60.01708	1.1
61.98828	1.2
64.90890	0.5
71.01390	11.6
72.06207	0.5
72.99253	0.7
73.02946	4.7
79.37408	0.5
81.03475	2.0
81.51725	0.6
83.01380	1.8
85.02959	5.9
87.00899	0.6
88.67752	0.5
89.02438	0.7
93.03499	1.3
95.01402	0.7
96.96026	1.4
99.00876	1.7
99.04534	95.9
100.04880	2.9
101.02462	25.4
103.13461	0.5
113.02480	4.7
125.02467	38.3
126.02809	1.5
137.02504	1.4
143.03499	2.0
159.03000	1.0
161.04582	4.8
173.04501	0.9
179.97148	0.5
191.05536	0.6
269.10306	14.6
270.10541	0.9
311.11215	2.2
353.24500	0.5
413.14236	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.7
57.03452	96.9
58.03794	1.2
59.01384	100.0
60.01728	2.6
61.01831	2.2
61.98838	11.3
62.31624	0.8
69.03477	0.8
69.78369	1.8
69.78776	4.4
71.01389	23.0
72.01772	1.8
72.99342	0.9
73.01825	1.1
73.02968	6.9
74.79240	0.7
81.03465	0.8
83.01395	4.6
83.91695	0.7
85.02952	11.2
87.00923	2.0
89.02451	8.5
90.02809	1.6
91.02921	1.1
93.03516	2.7
95.01431	2.6
99.00949	2.4
99.04536	73.6
100.04912	2.8
101.02459	34.9
102.02839	1.6
113.02480	9.0
114.02831	1.1
115.02957	0.9
119.03560	1.6
121.03010	0.7
121.03973	1.0
125.02468	25.7
126.02805	1.1
135.03024	0.9
135.04579	1.1
137.02527	1.8
143.03578	1.6
159.03096	1.2
161.04578	9.2
161.05695	1.0
173.04735	1.8
173.06146	1.3
187.07675	3.8
188.08125	2.8
189.08426	2.0
191.05678	2.0
201.05731	1.1
202.06378	6.3
203.06709	5.3
204.06926	4.1
231.10330	6.3
232.10628	6.3
233.10864	6.9
251.91321	0.9
260.86823	0.9
269.10309	21.9
270.10806	1.8
311.11584	2.4
413.17453	35.0
414.17697	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.3
58.37080	0.7
59.01377	7.6
60.99313	15.3
69.60652	6.3
71.01395	3.8
73.02956	6.0
78.95923	1.9
85.02971	1.1
87.00876	1.3
88.98823	100.0
89.02472	5.3
89.99162	1.7
96.96046	1.1
96.96977	2.7
99.00896	1.1
99.04545	4.2
101.02469	5.1
109.02982	1.4
113.02474	2.3
117.01965	16.0
119.03498	1.8
123.04562	1.8
125.02473	1.8
128.87698	0.7
133.05072	1.0
135.04536	1.5
135.20107	0.7
143.03548	1.0
149.04515	0.9
151.04077	0.8
152.01247	1.2
152.26903	0.8
153.01999	1.7
161.04591	9.4
173.04526	1.7
178.05177	1.1
179.05666	5.0
191.05617	2.4
263.07742	4.5
283.10330	1.1
290.41708	1.0
315.07257	1.8
323.09842	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94816	1.1
57.03450	100.0
58.03777	2.0
59.01382	79.7
59.30862	1.1
63.84257	1.1
69.62113	3.7
69.62527	7.1
71.01387	14.8
73.02959	6.7
73.51205	1.2
73.56810	1.4
75.63392	1.2
83.01372	2.5
85.02966	9.0
95.01371	1.5
99.00872	2.7
99.04533	74.7
100.04854	2.4
101.02457	28.8
105.50904	1.3
108.59769	1.2
113.02468	8.9
115.57285	1.2
125.01615	2.0
125.02473	23.3
143.03470	1.4
147.81078	1.3
161.04622	6.5
269.10303	19.8
270.10492	1.5
311.11273	3.6
386.72443	1.4
413.04337	1.4
413.14346	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	412.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98701	0.8
57.03450	1.3
59.01380	15.2
61.98840	3.9
61.99104	0.7
68.99818	1.1
71.71331	1.0
73.02955	0.9
82.02990	1.0
84.04559	14.9
84.95128	0.8
85.04855	0.7
93.03474	1.7
99.92596	3.1
106.07133	0.7
108.02193	2.6
110.06135	3.8
115.92102	11.0
116.92078	1.1
116.92871	9.7
122.02431	1.2
123.04582	1.1
128.03564	12.8
128.07208	1.8
136.01686	2.7
136.04076	1.5
137.04845	0.8
138.05621	4.2
153.12886	0.9
155.03497	1.3
162.08322	0.7
165.07950	1.3
169.16008	0.9
179.14433	100.0
180.14772	7.3
186.32347	0.8
193.15936	1.0
194.15520	2.1
195.13936	3.6
196.17102	2.1
197.15477	7.5
197.17389	1.8
205.15959	1.7
209.15535	0.8
221.15526	2.8
223.13304	4.1
235.13408	4.2
235.15738	2.4
248.16528	0.9
249.14969	4.7
250.14481	50.7
251.12608	6.4
251.15213	3.6
253.14554	1.5
264.16266	0.9
264.19687	2.9
265.14536	1.1
274.18216	1.0
276.16080	3.3
277.18179	0.8
278.62076	0.8
280.10098	1.0
283.21011	2.4
290.17566	0.9
292.19186	28.3
293.19589	2.7
298.66974	0.8
303.16171	2.7
306.11600	1.1
308.18723	2.5
309.19174	1.2
318.17007	3.7
325.16556	3.8
327.20023	5.0
336.18152	30.7
337.18472	4.9
353.16037	13.6
380.17130	21.6
381.17599	3.0
391.48822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.9
61.98835	100.0
62.98549	0.4
71.61596	0.6
79.62334	0.3
104.55065	0.4
164.83397	0.4
171.13957	0.5
173.54570	0.4
195.13983	0.4
349.27505	2.3
350.27902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67297	0.5
57.03456	0.6
58.75356	0.5
59.01369	4.0
60.99309	2.8
61.98820	1.8
71.01386	4.1
71.71146	1.0
72.51353	0.6
73.02955	1.2
78.95913	11.8
81.03506	0.7
84.58582	0.5
85.02972	3.0
87.00877	0.6
88.01841	0.6
88.98820	24.9
89.02448	1.8
90.94768	0.5
93.03467	3.7
95.01391	1.5
96.00903	0.9
96.96018	30.4
96.96971	20.0
98.02477	1.1
99.00909	0.6
101.02471	2.8
108.02187	53.4
109.02990	25.6
109.20222	0.6
113.02460	2.2
114.93410	2.0
115.63490	0.6
121.02962	1.4
123.00899	1.8
123.04575	1.5
130.08752	0.8
133.02945	4.5
135.04523	1.7
137.02420	1.1
149.02396	0.6
151.04004	1.6
152.01175	50.2
153.01964	41.2
154.02260	1.6
161.02461	0.6
161.04512	0.8
163.04021	1.9
165.01935	1.5
165.05594	1.2
167.03549	0.5
173.04550	6.2
176.03564	0.6
177.01959	1.9
179.03467	0.6
191.05655	4.8
195.03236	0.6
246.86401	0.6
315.07214	100.0
316.07495	9.0
351.07169	2.4
353.18192	1.7
367.88693	0.7
369.18900	0.9
375.06607	0.7
412.82495	0.8
413.00180	0.8
413.16971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01723	0.9
61.98837	0.6
71.61479	0.8
98.20637	0.4
112.49486	0.4
113.89108	0.3
159.22313	0.4
219.71936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59736	0.7
57.03444	1.0
58.02977	8.1
59.01383	19.4
59.04487	0.6
60.01720	0.7
61.23311	0.6
61.98834	26.1
68.63715	0.6
70.02995	4.2
71.01389	14.2
71.50988	0.7
72.00919	3.2
72.99321	1.1
73.02935	0.9
73.93605	0.6
75.00882	2.7
83.01418	1.6
83.05084	0.7
85.02979	2.8
86.02504	3.6
87.00906	1.8
89.02454	13.6
91.05528	4.3
91.15211	0.6
93.03493	2.3
95.01435	1.2
96.00923	3.8
97.01682	1.7
101.02448	5.3
109.02974	1.2
111.46864	0.6
112.49119	0.7
113.02464	5.2
117.07100	1.3
117.80203	0.6
118.06667	3.9
119.03519	2.5
119.05058	2.5
124.04088	0.8
125.02477	0.7
126.14755	0.6
131.05060	1.1
133.06628	1.4
134.02533	1.1
135.04544	2.4
143.03506	1.1
143.13113	0.6
144.08224	2.7
145.02956	0.7
145.06665	1.4
147.04530	17.4
147.05626	1.1
148.04942	0.7
161.04761	1.3
161.06091	7.6
163.04024	1.6
164.07188	47.0
165.07539	2.5
173.04546	2.8
178.22350	0.7
179.05643	2.7
188.07193	100.0
189.07597	5.8
190.05112	6.8
191.05637	5.2
206.08235	94.3
207.08554	6.4
232.06087	1.6
248.09268	8.8
260.09296	2.0
267.07120	2.6
274.07208	14.0
275.07462	2.2
278.10294	3.0
304.08185	2.4
322.09219	1.2
334.09500	1.0
352.10211	1.3
412.12589	1.3
413.10974	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	411.1664
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
52.26736	0.7
55.01855	0.9
55.40964	0.6
57.03436	0.9
58.00590	1.3
59.01386	50.2
60.01718	0.9
60.93849	0.7
70.72805	2.2
71.01390	25.4
72.99310	2.7
83.01410	1.9
83.10693	0.7
85.02956	5.4
89.02460	21.1
95.01430	1.7
99.00887	0.9
100.34612	0.7
101.02462	14.8
101.03099	1.3
113.02468	8.7
119.03519	8.0
121.33997	0.6
134.02551	1.0
134.03737	1.2
135.04576	0.7
143.03490	1.1
146.03787	1.0
158.03754	0.8
159.04533	2.5
159.08252	0.8
172.05350	2.3
173.04727	1.2
173.06102	5.8
174.06932	0.8
187.04053	2.6
187.07686	19.8
188.08098	2.1
191.05675	1.3
201.05620	5.9
202.06390	32.7
203.06750	1.7
203.10759	1.1
213.05379	0.7
213.09187	1.4
216.07922	2.5
229.58507	0.7
231.10287	44.4
232.10616	3.7
249.11336	1.6
277.67407	0.7
379.80161	0.7
382.12424	1.1
411.16641	100.0
412.16995	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	411.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98822	0.4
64.87677	0.1
71.34459	0.1
71.71969	0.2
84.04564	0.3
99.29926	0.1
116.05084	2.8
126.16096	0.1
128.05084	1.4
130.06639	6.4
131.06970	0.3
134.35529	0.1
144.04495	0.2
146.06146	0.3
155.06232	0.2
156.06960	0.2
157.07727	100.0
158.08087	6.0
172.04045	0.6
197.15500	0.2
209.15610	0.2
220.05296	0.2
220.17128	0.2
238.18109	2.9
239.18506	0.3
250.18217	0.2
324.00589	0.1
367.23956	0.3
376.27203	0.1
390.14197	0.2
411.24817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.02268	0.7
58.00599	4.2
59.01382	100.0
60.01715	1.2
61.98823	1.6
70.85557	1.8
71.01392	62.5
72.99308	5.0
73.02970	1.2
83.01403	2.0
85.02962	9.9
87.00885	6.4
89.02459	91.4
90.02811	1.4
95.01411	3.3
97.06602	4.5
99.00893	2.3
101.02460	38.4
105.96161	0.7
113.02471	30.0
114.02785	1.1
119.03527	37.4
120.03881	1.0
123.04546	1.8
125.02538	1.0
131.03532	3.4
133.02986	1.3
134.03767	90.6
135.04442	4.7
143.03535	7.6
149.04659	3.2
149.05740	0.8
150.03247	1.6
151.04037	12.6
152.04324	0.8
161.04584	10.3
173.04565	0.9
178.04759	1.6
179.05635	56.0
180.06035	1.8
191.05588	1.7
203.10834	0.7
205.12372	1.6
231.10297	3.8
231.16029	2.3
248.28090	0.7
307.13040	0.8
313.09326	7.0
314.10083	35.1
315.10547	4.8
411.16263	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	411.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89862	4.0
57.03446	21.3
59.01388	50.1
61.98834	12.2
71.01401	34.4
71.11651	9.3
72.99310	12.3
73.02962	5.6
75.00867	4.7
78.95921	11.3
82.85739	5.0
83.01429	5.5
85.02968	19.7
87.00887	9.3
87.04527	7.5
88.98827	27.2
89.02465	16.6
89.69185	4.0
89.69752	4.1
93.03478	15.0
95.39606	4.9
95.52122	5.0
96.96027	12.6
96.96989	22.2
98.95608	8.6
99.04545	15.8
101.02467	28.9
113.02463	14.7
119.03495	6.1
121.02962	5.7
123.04529	5.0
125.02482	18.8
135.04533	12.5
136.00238	4.3
137.02473	8.8
143.03523	10.3
147.04539	13.0
149.02484	20.1
149.06081	12.3
150.03252	38.1
151.03918	4.5
158.59660	4.4
161.04613	20.3
162.03325	5.4
164.04837	12.8
164.07066	5.0
165.05598	100.0
166.05946	6.2
173.04591	27.9
175.04010	7.9
177.01968	9.9
179.03577	10.8
191.05652	79.5
192.05998	6.0
195.06651	39.9
201.01715	5.3
209.02682	4.4
219.03024	11.5
220.02568	7.2
249.09854	9.0
267.10873	19.8
270.05402	5.3
309.11807	5.4
323.09900	11.6
327.10989	41.1
328.11325	5.1
348.43683	5.2
357.12054	5.7
375.06949	18.4
411.04730	5.8
411.10565	21.5
411.15201	7.5
411.25635	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1666
Annotation	Pteroside S
Peak:m/z	Relative Intensity
50.74691	0.3
55.01892	0.5
57.03462	0.9
58.00596	2.6
59.01384	49.6
60.01726	0.7
60.38903	0.3
61.15646	0.3
61.98838	1.3
62.69041	0.3
67.01897	0.3
69.63992	2.9
71.01390	29.3
72.01758	0.5
72.99327	2.7
73.02939	0.8
79.26221	0.3
83.01386	1.9
85.02960	6.8
86.03271	0.4
87.00900	1.3
88.98815	0.5
89.02459	27.0
90.02807	0.6
93.03489	1.1
95.01414	2.1
97.06576	0.3
99.00900	0.6
101.02461	19.1
102.02799	0.5
109.02978	0.8
113.02465	9.4
118.63577	0.3
119.03521	8.6
119.04317	0.7
123.04542	0.5
131.03539	0.6
134.03769	4.0
135.04533	1.4
140.83585	0.4
143.03548	1.2
148.05336	2.3
149.04576	0.8
151.04024	1.0
152.03540	0.5
159.04541	0.5
160.05202	0.3
161.04587	1.3
161.56024	0.3
162.03288	0.5
167.85316	0.4
173.04585	1.5
173.06001	0.4
174.04842	0.4
174.06879	1.2
176.04860	0.4
179.03638	0.9
179.05649	3.5
180.04330	0.5
185.09821	0.4
187.04005	0.4
188.04832	1.4
189.80084	0.3
191.05676	2.0
191.10785	1.2
192.05989	0.6
203.10822	16.4
204.11163	1.6
213.09258	0.8
216.07703	0.5
221.11774	0.6
231.10274	9.8
232.10603	0.8
247.53638	0.4
313.09256	0.6
314.09937	1.1
383.17123	5.2
384.17300	0.5
393.15317	0.5
401.62054	1.0
411.16626	100.0
412.16959	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	409.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03082	0.5
57.03442	0.8
61.98812	1.2
68.71957	0.6
68.99825	13.4
69.03448	1.5
71.01385	0.7
71.40092	0.7
73.02957	1.8
78.95905	0.8
83.01407	1.0
84.02172	0.9
102.58241	0.6
152.99615	1.1
153.12875	1.4
155.14442	4.2
167.14412	0.6
169.16022	1.4
171.12584	0.9
171.13940	10.8
172.14229	0.9
179.14435	1.1
181.16013	2.9
183.13942	2.2
185.15486	11.8
186.15839	1.0
193.15988	2.5
195.13916	24.9
196.14272	1.6
197.15485	100.0
198.15811	5.8
200.60320	0.5
209.15543	1.5
211.13452	0.9
211.17052	2.9
213.14973	2.3
225.14973	0.7
227.16528	2.2
229.14491	1.3
237.14948	6.2
238.15292	1.0
255.16043	2.7
311.29572	1.5
311.82892	0.6
321.31821	0.6
335.29938	0.7
339.29034	0.7
347.29669	0.7
363.29086	2.2
365.30359	3.3
381.30090	6.9
382.30142	0.9
391.28445	1.3
409.01166	0.6
409.29361	8.5
410.30032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40865	1.3
56.31317	1.4
57.14134	1.4
59.01370	10.7
59.34219	1.6
65.99850	9.6
71.01383	4.4
71.53146	1.7
71.69722	2.1
72.99317	44.1
81.03507	2.2
85.02958	12.2
87.00879	4.0
89.02473	4.3
89.43558	1.6
93.03468	12.8
96.96053	4.7
97.36378	1.5
98.02475	6.2
101.02451	3.4
107.05062	5.7
109.02962	7.9
111.04543	5.6
113.02466	2.0
114.12566	1.7
118.03036	2.0
119.05042	3.4
120.04545	2.1
121.02983	6.2
123.00034	1.7
123.04539	5.5
127.03989	1.9
129.03450	2.2
133.03009	8.2
134.03735	6.2
135.04541	20.0
137.02457	6.6
139.04059	1.6
146.06116	2.2
147.03358	2.6
147.04536	29.3
148.03998	8.9
149.02454	2.4
149.04962	2.7
149.06091	15.2
150.05627	8.9
151.04018	7.1
155.03523	4.5
161.04626	1.9
162.05627	6.9
164.07025	1.6
165.05568	9.0
173.02336	2.1
173.04587	27.3
174.01988	3.1
174.05647	34.8
175.00395	2.3
175.04025	3.7
176.03542	2.9
177.02034	2.2
178.02777	2.5
179.03477	3.6
179.57045	1.4
191.05632	100.0
192.03038	17.5
192.06769	13.3
193.03362	2.1
193.05072	6.9
200.03584	12.2
218.01047	4.4
218.04584	34.7
219.02957	10.0
219.04871	2.6
231.07030	2.8
232.82893	1.7
235.08290	3.6
236.01978	6.8
236.05653	69.3
237.06026	3.5
247.04576	1.8
248.58646	1.5
324.47021	1.8
351.07205	1.8
392.09653	6.2
407.12772	1.7
410.10992	19.1
411.08875	4.4
411.14105	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	409.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.6
57.03453	0.4
59.01399	0.7
68.99823	13.1
69.03458	3.4
70.54578	1.8
71.01384	0.6
73.02953	2.1
82.62654	0.5
83.01401	1.8
84.02180	0.7
95.01363	0.5
97.02982	0.6
124.01669	0.6
137.02502	0.9
151.18317	0.5
153.12810	1.3
155.14450	6.9
157.01794	0.5
167.14461	0.6
169.16013	1.3
171.13927	43.0
172.14240	2.9
179.14456	1.6
181.16022	7.3
183.13908	2.1
185.15475	15.2
186.15805	1.2
193.16000	2.3
195.13914	20.6
195.17561	1.1
196.14221	1.6
197.15486	100.0
198.15836	7.6
209.15480	4.5
211.13474	2.3
211.17117	1.8
213.14966	6.9
225.14931	0.9
227.16498	1.2
229.14307	0.8
229.57037	0.5
236.14163	3.0
237.14958	22.4
238.15312	2.2
255.15994	2.2
307.30078	2.2
319.30060	1.4
335.29715	1.3
339.29050	1.3
363.29062	17.0
364.29391	3.0
365.30685	1.7
381.30179	5.9
391.28699	3.9
409.29581	7.7
410.29971	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2364
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
56.73841	0.2
61.98826	0.4
62.96426	0.3
71.68791	0.4
77.06136	0.2
78.95913	67.7
83.65397	0.2
96.96977	5.4
150.98013	1.9
152.99614	100.0
153.99956	1.9
166.93431	0.2
171.00655	2.5
201.70711	0.2
229.96881	0.2
243.35451	0.2
255.23318	2.1
256.23553	0.3
259.98770	0.2
277.21732	0.8
339.27957	0.2
367.94644	0.2
375.02887	0.2
409.23618	19.8
410.23904	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	409.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16077	0.4
57.03443	0.5
59.01376	0.5
61.98813	0.6
68.99822	14.6
69.03442	1.2
69.51626	2.9
69.52031	0.7
71.01381	0.5
73.02953	2.0
78.95900	0.6
80.02663	0.5
83.01414	0.6
84.02180	1.1
85.50564	0.3
94.95982	0.4
98.20568	0.9
146.10716	0.4
151.11253	0.4
152.99640	0.8
153.12857	1.7
155.14453	4.7
167.14442	0.6
169.15973	1.1
171.13936	11.8
172.14200	0.5
179.14429	0.8
181.16039	3.1
183.13914	1.7
185.15497	14.4
186.15834	1.2
193.16000	2.9
193.69797	0.4
195.13925	26.1
196.14218	1.9
197.15486	100.0
198.15820	7.2
202.07718	0.4
209.15492	1.8
211.13414	1.1
211.17096	2.2
213.14876	2.1
225.14932	0.7
227.16562	1.6
229.14476	2.3
236.13982	0.4
237.14951	7.1
238.15387	0.5
255.15961	2.9
295.24954	0.4
311.29596	1.4
312.29803	0.5
318.35056	0.5
335.29849	0.5
339.29089	1.2
347.29440	0.5
363.29129	1.3
364.29703	0.4
365.30542	2.7
366.31079	0.5
381.30127	7.2
382.30502	0.9
391.28552	1.8
409.29572	9.8
410.29935	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	409.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68150	0.7
57.03445	3.1
59.01384	20.2
60.99306	8.2
61.27216	0.7
61.98836	0.8
67.01915	1.7
70.97266	1.3
70.97601	1.0
71.01385	4.7
71.05000	4.4
73.02962	1.3
83.01417	1.0
83.05021	0.8
85.02966	4.7
87.00895	2.9
88.98820	45.9
89.02453	2.6
93.03463	11.1
94.03811	0.8
95.05046	12.2
97.02970	17.5
99.00940	0.9
99.04533	2.5
101.02477	2.7
101.22883	0.7
108.02176	0.9
109.02968	16.3
111.04535	3.6
113.02478	1.7
115.04015	1.3
115.19576	1.0
118.98122	1.2
119.03564	0.8
123.04543	1.2
125.02487	1.2
127.04015	1.4
129.01961	1.1
133.03000	1.0
135.04558	8.4
136.04865	1.2
137.02457	6.3
139.04028	46.8
140.04350	2.2
151.00346	0.7
153.01962	45.3
154.02312	1.8
155.03540	1.9
159.04527	1.5
161.02493	1.3
161.04543	1.4
165.01945	18.9
173.04578	17.4
173.06021	1.9
174.04765	1.1
175.04089	1.0
177.02065	1.1
179.03523	2.1
183.03004	100.0
184.03345	6.2
187.04036	2.0
187.07689	0.9
191.05635	30.4
191.07353	1.6
192.05971	1.8
215.07074	1.3
229.08670	2.3
233.08206	1.4
235.05984	0.9
242.05121	1.9
255.06580	0.7
267.06488	0.8
291.08734	1.6
298.92215	0.8
301.03116	0.9
319.04617	16.3
320.05008	1.9
349.18716	5.2
353.08878	1.1
401.11603	1.5
409.11142	2.0
409.15952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2441
Annotation	Dimethamine
Peak:m/z	Relative Intensity
59.01381	4.8
61.98825	4.9
67.35959	1.2
69.49117	8.7
69.49544	2.9
76.70325	1.1
78.95917	6.9
95.61929	1.2
97.06600	2.1
99.04517	1.5
121.02965	3.7
137.02451	1.7
149.06081	2.0
149.70183	1.3
152.99596	9.9
153.05682	1.5
159.04488	3.1
162.03238	1.6
165.05588	2.6
171.13936	100.0
172.14307	3.9
175.04012	2.2
176.04808	4.3
176.83482	1.3
177.05598	22.7
187.04033	5.1
192.08017	1.5
205.05078	16.8
219.06606	2.8
220.07419	21.7
221.07852	3.2
235.09753	43.9
236.10092	4.2
242.23637	1.3
253.18164	1.7
313.18127	2.3
331.19183	13.9
346.21497	9.5
347.55347	1.2
361.23877	23.1
362.24237	3.2
389.23196	5.4
407.24454	38.4
408.24698	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	408.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86402	0.3
59.01377	1.4
61.98834	100.0
66.21355	0.3
69.27539	0.3
71.70862	0.4
72.99328	0.3
73.02969	0.4
74.02486	0.3
75.00881	7.3
75.01289	0.5
78.43419	0.3
85.02959	0.7
87.00860	0.3
191.05592	0.5
197.15492	2.2
237.15085	0.3
239.16661	0.3
253.45346	0.3
409.04245	0.3
430.89771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77345	0.4
50.97847	0.4
57.03440	0.5
59.01383	0.8
61.53890	0.4
61.98835	100.0
71.41770	0.6
71.42109	0.6
78.95912	8.5
91.05552	0.7
96.96991	0.6
117.95226	0.4
118.06652	10.6
152.99605	8.4
169.16042	1.5
171.00658	5.6
178.68875	0.4
208.17088	1.3
211.57617	0.4
240.78055	0.4
252.96931	0.4
277.21799	0.4
288.98535	0.4
300.23340	1.6
322.51794	0.4
330.95300	0.4
344.22345	9.0
345.22870	1.3
359.59357	0.3
407.28922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	3.3
59.01384	40.4
61.98835	100.0
63.84466	2.7
69.55055	22.3
71.01386	27.1
85.02960	5.5
89.02462	43.8
101.02457	12.3
108.74178	3.0
113.02455	9.7
119.03528	17.4
149.17560	3.3
156.24651	3.2
161.04524	3.2
179.05673	24.3
187.25488	3.1
287.42700	3.2
316.38126	3.5
391.90854	2.8
407.22134	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	407.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53279	1.0
55.30739	1.0
57.03450	100.0
57.37685	1.0
58.03791	1.8
59.01382	89.8
61.98833	11.2
67.01881	1.6
69.36646	13.2
70.15501	0.9
71.01394	15.6
73.02957	6.9
75.00900	2.0
81.03471	1.9
83.01398	3.6
85.02962	10.1
87.00933	1.7
89.02440	2.4
93.03472	4.2
95.01385	1.0
95.05157	1.2
98.20558	2.9
99.00885	1.7
99.04536	74.1
100.04874	2.1
101.02466	35.9
102.07452	1.1
109.02929	1.9
111.04510	1.4
112.18091	1.3
113.02483	8.6
125.01624	1.8
125.02473	23.3
135.04529	3.5
137.02463	1.4
147.04581	1.3
161.02432	1.9
161.04555	6.3
173.04543	6.4
177.01949	2.0
179.03461	1.6
185.11803	2.5
191.05600	9.0
209.08211	3.1
219.94823	1.4
223.00703	8.0
243.02884	1.5
255.02977	2.6
263.12155	1.6
263.14981	29.2
264.15338	2.2
305.16080	3.4
345.19147	1.4
380.98276	1.1
407.08282	5.5
407.18063	5.5
407.23386	2.4
408.19794	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	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03453	3.1
58.00583	1.3
59.01384	62.6
60.01727	0.7
61.98836	8.3
65.00339	0.5
65.25201	0.5
67.01884	1.3
69.03466	0.6
69.72013	2.8
69.72425	0.8
71.01391	24.0
72.99335	1.5
73.02953	9.9
74.61775	0.5
75.00893	0.7
81.03485	0.6
83.01387	6.7
83.05054	0.9
85.02444	0.9
85.02964	18.8
86.00112	1.9
86.03300	0.5
87.00897	3.5
89.02459	4.0
93.03467	6.7
95.01406	1.9
97.02979	0.5
98.24074	0.5
99.00912	3.9
99.04575	1.0
101.02460	22.1
101.06059	1.0
102.02798	0.9
107.01457	0.9
108.02207	1.0
109.02962	1.5
110.02525	0.6
111.00906	1.7
111.04569	1.3
113.02478	6.7
119.03495	1.2
120.99671	0.7
121.02951	0.8
123.04594	1.2
125.02464	1.8
127.04018	0.9
129.01976	0.6
134.03741	0.8
135.04549	15.2
137.02483	1.8
137.80234	0.5
143.03523	1.1
151.00374	2.6
151.04094	0.6
152.01042	0.8
155.03513	1.7
157.12317	2.7
159.03008	1.2
161.02437	1.5
161.04611	3.6
165.09227	0.9
169.01558	0.6
173.04587	5.7
178.99901	1.9
179.03523	5.7
179.05057	0.7
180.03926	0.5
185.11879	1.2
187.07687	0.6
191.05635	52.7
192.06021	2.5
203.12874	5.8
216.53076	0.7
217.03262	0.5
245.13774	0.7
253.04980	0.7
254.02045	0.6
255.03033	1.8
271.02493	5.6
281.04495	1.2
299.02020	1.2
300.02673	8.5
301.03488	2.0
309.04086	0.8
319.17676	1.1
347.17148	32.3
348.17453	3.3
365.18207	76.7
366.18497	7.9
407.19244	100.0
408.09427	1.8
408.19595	13.6
417.06067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03449	100.0
58.00588	0.5
58.03784	1.6
59.01379	73.4
60.01708	0.7
61.98833	0.5
71.01390	12.4
71.42474	0.9
72.01737	0.5
72.99307	0.6
73.02956	5.4
75.00846	0.4
78.95920	1.0
80.96525	0.4
81.03487	1.1
83.01387	4.7
84.47874	0.4
85.02951	8.2
87.00919	1.0
88.98818	0.6
89.02469	1.0
90.95930	0.3
93.03498	0.6
95.01411	1.3
97.02975	0.6
99.00908	1.7
99.04532	78.4
99.08201	0.7
100.04871	1.9
101.02455	32.6
102.02834	1.0
108.02193	0.7
109.02979	0.9
111.00893	0.4
113.02464	5.3
125.02466	20.9
136.05325	0.7
143.03511	1.8
159.03021	0.7
161.04567	3.7
173.04700	0.5
191.05695	0.7
255.02907	0.9
255.16090	0.8
263.14981	26.6
264.15344	2.4
286.33835	0.5
289.50470	0.4
289.61200	0.4
305.16037	2.2
345.19205	0.8
407.07608	1.3
407.19092	2.9
408.19739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	60.1
58.00632	1.1
58.03797	1.8
58.50808	1.0
59.01382	51.0
61.98832	3.5
62.73989	1.2
71.01398	13.3
71.40311	2.2
72.99271	1.1
73.02948	16.0
74.29021	1.1
75.00878	3.4
79.86909	1.0
81.03463	2.5
83.01383	5.2
85.02948	9.8
87.00891	1.6
89.02451	4.0
93.03461	8.7
95.01400	1.5
96.56879	1.1
97.06606	1.7
99.04531	40.6
101.02460	23.2
101.03091	2.2
101.06098	100.0
102.06459	3.1
109.02993	1.8
113.02460	6.3
113.06135	1.7
115.07682	6.1
116.73723	1.2
119.03506	2.9
123.04565	8.9
125.02471	27.7
126.02699	1.2
133.02953	1.3
133.66774	1.2
135.04526	3.4
137.02458	1.5
141.05615	1.7
143.03520	6.2
143.07164	3.0
155.03497	1.5
161.04584	3.1
173.04570	12.4
179.03630	1.4
185.11873	35.6
186.12207	1.5
191.05632	22.7
193.09296	1.2
199.13336	1.3
209.01695	1.7
225.02072	1.1
255.02905	2.3
263.11316	1.6
269.00754	1.5
275.14890	1.5
299.01999	3.3
300.02762	2.2
303.10986	1.4
326.05420	3.2
407.07840	2.9
407.19168	3.7
407.26376	2.0
418.03101	2.2
419.04019	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21391	3.0
57.03449	58.7
59.01382	56.6
61.98835	21.6
71.01382	19.1
73.02945	14.9
75.00876	7.7
76.32872	3.0
80.96548	2.8
83.01411	9.1
85.02962	12.0
87.00887	4.5
89.02453	5.1
93.03472	17.3
98.20661	7.4
99.04526	40.0
101.02448	23.4
101.06092	100.0
111.04542	4.3
113.02464	9.4
115.07671	3.5
123.04536	13.2
125.02448	24.3
135.04532	11.4
143.03546	3.9
143.07103	4.8
155.03572	5.5
173.04597	22.5
178.99800	3.6
179.03539	4.5
185.11833	12.4
187.03983	4.0
191.05637	51.3
196.44739	2.8
216.02277	3.3
243.02957	3.8
255.03049	8.4
266.13538	4.0
267.09384	3.2
271.02625	7.1
275.14847	4.1
299.01938	7.8
300.02728	6.0
301.03445	3.4
317.10486	5.2
341.03256	4.0
347.17166	3.3
407.07764	9.4
407.18701	12.5
408.08481	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	406.172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56326	0.2
59.01387	0.7
61.98833	100.0
62.98537	0.2
63.50954	0.2
64.69814	0.2
65.31461	0.2
71.28582	0.2
71.28922	0.5
99.00899	0.3
100.45654	0.2
103.52338	0.2
112.98859	0.5
173.00960	0.3
195.13824	0.2
197.15480	0.4
212.88647	0.2
219.83292	0.2
265.14447	0.4
293.13876	1.3
363.22366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	77.6
59.01383	81.2
61.98832	6.3
65.99844	2.4
70.47288	5.2
70.47694	3.3
71.01389	26.3
71.12511	1.6
72.99296	3.1
73.02949	8.8
78.58659	1.6
79.75504	1.8
81.03473	2.7
82.02983	8.1
83.01405	4.2
85.02958	11.6
87.00877	2.3
89.02447	6.3
93.03481	5.4
95.01371	2.5
97.02991	2.4
99.00895	4.4
99.04533	64.2
101.02457	29.3
101.06107	2.3
101.59371	1.9
113.02499	11.7
114.44077	1.7
119.03526	2.1
124.07715	2.0
125.02473	25.6
133.02942	4.0
135.04526	5.1
136.03961	2.0
138.05545	2.3
145.27843	1.7
148.04051	5.1
150.05695	2.7
151.00380	3.3
157.31273	2.2
159.03113	2.1
160.07625	2.2
161.04616	15.4
161.05783	2.7
164.03572	4.9
173.04568	10.5
186.05559	2.4
188.07190	2.5
189.06665	2.2
191.05644	7.0
196.06216	2.4
202.08765	3.4
215.04616	3.1
215.08357	1.8
216.05130	3.9
216.06883	4.1
217.02635	4.9
217.06169	11.7
218.06818	3.5
229.06076	8.7
230.03331	4.7
230.06900	3.7
231.07799	11.7
232.08479	5.6
241.06203	3.1
242.03352	3.2
243.04077	19.5
243.07962	3.6
244.04782	12.9
244.09825	11.0
245.04968	2.3
245.09415	5.5
248.09271	3.7
256.04916	3.4
257.05640	13.0
258.06387	7.0
259.07236	40.8
259.10846	9.2
260.07364	2.5
263.11380	18.3
269.09305	4.6
270.07675	2.8
271.07248	21.5
272.07852	2.6
273.12189	2.2
285.08698	3.5
287.10385	75.9
288.08453	4.9
288.11148	3.3
289.08447	2.1
291.09888	12.9
298.05899	2.3
305.12448	4.8
313.08289	100.0
314.08560	11.2
331.09381	54.3
332.09601	5.2
335.08813	2.0
335.12384	6.7
345.10941	7.6
345.15274	2.0
346.10922	2.3
347.17426	9.8
357.07095	2.4
375.08344	23.8
389.10010	6.1
407.10971	77.7
408.11295	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77632	0.8
54.28350	0.7
57.03433	0.9
59.01382	100.0
60.01695	0.9
61.98834	11.4
67.88469	0.8
70.39579	3.6
74.82561	0.9
78.95901	1.3
80.34236	1.0
91.03997	1.6
94.59106	0.8
191.03784	0.9
216.21730	1.0
271.22794	2.1
290.21161	1.7
297.17075	1.1
401.86694	0.9
406.00793	1.0
406.22192	1.0
406.27142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3378
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
57.03447	0.4
61.98844	0.3
67.01906	2.8
68.99796	0.3
69.03462	10.2
70.03804	0.3
70.93111	0.8
82.52882	0.2
83.05038	0.6
93.03503	0.2
95.01412	2.1
108.02207	0.6
109.02973	2.0
119.05032	0.4
133.46321	0.2
137.02443	0.3
137.26976	0.3
153.12888	1.8
155.14441	6.1
156.14760	0.3
161.06108	0.4
169.16029	0.3
171.13931	1.2
175.99867	0.3
177.16522	0.5
181.15964	1.9
183.17552	3.6
195.17569	8.4
196.17874	0.3
197.65927	0.3
199.17038	1.8
202.04260	0.2
205.16019	0.6
205.19666	0.6
221.15483	2.6
223.17136	5.9
223.20660	9.4
224.17410	0.5
224.21011	1.2
249.18576	3.1
250.18996	0.3
251.17575	0.3
251.20168	6.8
252.20546	0.9
309.31601	1.0
343.84622	0.3
377.34555	0.5
387.32840	2.1
388.33148	0.5
405.33768	100.0
406.34116	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	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01889	1.1
57.03451	4.5
58.00594	3.5
59.01384	100.0
60.01718	0.9
61.98847	2.6
67.01896	0.7
69.03475	0.7
70.83447	1.3
71.01390	55.1
71.05049	2.2
72.01744	1.0
72.34055	0.4
72.99319	3.8
73.02960	5.4
80.80795	0.4
83.01405	2.9
83.05039	0.7
83.93955	0.4
85.02966	11.4
87.00883	3.3
89.02459	62.0
90.02783	1.1
93.03471	1.2
95.01425	2.9
95.05036	1.1
97.02943	0.4
97.06623	1.8
99.00883	1.5
99.04507	0.8
101.02461	35.9
102.02799	1.1
109.02983	0.8
111.08167	2.6
113.02472	23.8
116.92848	0.6
119.03526	28.0
120.03846	0.6
123.08154	1.4
125.02477	1.1
125.06125	1.6
131.03532	3.0
135.04581	0.6
137.02463	0.5
137.09737	0.6
141.09428	0.5
143.03537	5.3
143.04634	0.9
145.10254	0.8
147.08156	0.5
149.04568	3.1
149.09744	2.7
151.11301	1.3
159.03021	0.7
161.04596	7.9
163.09990	0.4
163.11252	2.1
167.10834	4.0
173.04594	2.1
178.10066	0.5
179.05624	15.4
179.10776	0.5
180.06044	0.5
180.23715	0.4
181.12375	7.8
181.92154	0.4
182.12631	0.7
183.10292	6.2
183.11897	0.7
187.04057	1.0
191.05624	3.1
199.13489	0.5
207.13925	7.6
225.11235	1.0
225.14983	4.3
231.02982	1.7
243.03052	0.6
243.16016	16.0
244.16342	1.9
299.10248	0.4
307.07996	0.8
345.15445	1.5
351.94312	0.5
387.20285	7.3
388.20526	0.9
397.46860	0.4
405.08441	1.3
405.21341	54.7
406.21634	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
51.76001	0.2
51.92043	0.3
54.60693	0.3
55.01885	1.6
56.99825	0.4
57.03450	18.5
58.00597	5.1
58.03790	0.6
59.01380	100.0
60.01713	1.4
61.98827	1.1
67.01894	0.3
68.99821	0.7
69.03458	0.8
71.01388	77.7
71.05024	0.4
71.69498	0.4
72.01714	1.9
72.99312	6.0
73.02959	5.7
74.02492	0.5
74.03291	0.3
75.00882	0.6
78.95901	0.4
79.05544	0.3
81.03474	0.6
83.01398	3.1
83.05023	1.7
84.02169	0.3
85.02962	16.7
87.00887	4.3
87.04522	0.6
89.02456	84.7
90.02798	1.4
93.03478	1.1
95.01403	4.7
95.05032	0.5
97.02967	1.0
97.06607	1.3
99.00900	1.7
99.04539	3.0
99.05606	0.3
100.04865	0.9
101.02458	43.0
102.02779	1.6
102.98575	0.3
109.06616	1.1
111.04559	0.8
112.05313	2.9
113.02467	31.0
113.06099	0.7
114.02798	1.3
115.04015	0.4
118.98124	0.4
119.03522	33.5
120.03864	0.8
120.05855	1.0
121.06591	0.3
122.03783	0.3
122.06137	0.4
123.04549	1.1
125.02479	1.9
125.06101	1.2
125.09754	0.4
126.02814	0.8
128.03574	0.8
131.03500	3.6
131.08688	0.4
133.03018	1.8
134.07411	5.2
135.04579	0.3
135.08215	3.3
136.08493	0.3
137.02451	0.8
137.06110	0.6
137.09755	4.0
139.07669	6.0
139.11340	1.0
139.99411	1.5
143.03548	6.3
143.04654	0.8
144.03868	0.4
149.04565	2.7
149.09740	50.7
150.10080	3.0
150.71320	0.3
151.04004	0.7
152.04776	0.5
152.08389	0.4
153.09232	31.4
154.09576	2.1
155.01741	1.5
159.03015	0.9
161.04578	12.7
162.04929	0.8
167.03557	1.3
167.10794	88.2
168.11137	5.8
171.10289	1.1
173.04604	1.7
179.05635	14.0
180.06024	0.7
183.10262	0.4
191.05670	2.2
195.02975	0.6
205.03596	0.3
207.13910	2.5
209.11859	3.0
210.12164	0.3
225.14973	7.3
226.15417	0.6
231.02905	0.3
233.10164	0.4
233.61356	0.3
243.16016	18.1
244.16182	1.6
249.32710	0.3
272.09064	0.4
273.08914	0.3
306.07602	0.6
307.07922	1.3
333.62271	0.3
345.15524	0.4
405.08258	0.6
405.17120	0.4
405.21378	8.7
406.21774	0.9
412.98425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03452	100.0
58.00632	0.6
58.03790	1.7
59.01383	80.4
60.01717	1.0
61.98836	11.2
70.26891	3.0
71.01392	18.4
71.59634	0.6
72.99301	1.0
73.02955	6.7
81.03453	1.4
83.01410	4.0
85.02966	9.4
87.00898	1.1
89.02445	3.8
93.03462	3.3
95.01407	1.4
97.02965	0.6
99.00922	2.8
99.04538	80.0
99.08179	0.7
100.04874	2.2
101.02460	35.6
102.02795	1.3
108.02188	0.6
109.02966	0.8
111.04593	0.7
113.02468	9.1
119.03479	1.4
125.02469	20.6
126.02827	0.6
135.04526	1.8
137.02458	1.6
143.03506	2.4
159.02968	1.7
159.04460	0.7
161.04584	8.3
173.04585	8.8
173.06032	1.1
179.05569	1.2
181.05237	0.6
183.10246	0.6
187.07675	5.1
189.05600	0.7
191.05508	2.3
201.05537	0.7
231.04529	0.9
231.06642	13.3
232.06845	0.9
243.06601	6.6
244.06831	0.8
261.13428	30.0
262.13702	2.1
303.14484	3.5
319.21136	1.4
325.04874	0.6
341.06546	0.6
343.17474	2.1
346.25790	1.1
363.23618	1.9
405.11853	1.3
405.17026	9.5
405.20648	1.4
405.25247	1.7
406.17490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63471	0.5
52.75808	0.5
54.64029	0.4
57.03452	100.0
58.00596	1.3
58.03793	1.7
59.01382	75.9
60.01717	0.9
61.61559	0.4
61.98835	0.6
69.68626	1.4
69.69048	2.4
71.01389	20.7
72.99322	0.9
73.02952	10.8
77.58343	0.5
78.82814	0.4
79.05556	0.6
81.03472	1.0
83.01389	4.1
85.02970	4.0
85.20808	0.4
86.76555	0.6
89.02455	19.5
93.03468	0.7
95.01414	1.7
99.04535	73.2
100.04863	1.3
101.02461	33.9
109.06587	0.5
113.02477	9.8
113.06122	0.8
119.03516	7.3
121.39834	0.4
123.04546	5.4
125.02468	20.6
126.02746	0.8
126.70603	0.5
131.03499	2.1
136.73445	0.5
137.02385	0.7
141.05569	1.7
143.03532	3.4
149.04567	1.6
153.05576	0.7
161.04596	4.2
165.67354	0.5
179.05647	5.5
183.10248	0.5
198.68274	0.5
203.44292	0.5
218.69051	0.5
221.06720	0.5
261.13361	2.8
303.14215	0.8
405.17505	3.5
405.24432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03451	100.0
58.03775	2.6
59.01382	78.7
60.01696	0.7
61.98829	2.4
63.10850	0.6
71.01392	15.3
73.02958	4.9
77.85832	0.5
81.03468	0.9
83.01405	4.3
85.02953	7.7
87.00914	0.7
88.97525	0.5
89.02453	3.2
95.01385	1.2
98.19759	1.1
99.00923	3.1
99.04536	68.5
99.08154	1.0
100.04856	2.1
101.02460	31.0
102.02803	0.8
109.33849	0.6
111.04507	0.8
113.02464	7.2
119.03485	1.5
125.02470	17.8
126.02755	0.7
127.07760	0.6
131.03366	0.7
143.03468	1.3
159.02930	1.1
160.10721	0.6
161.04628	3.7
173.60579	0.5
179.05476	0.6
243.22673	0.6
261.13425	20.4
262.13608	1.3
303.14154	1.3
338.38824	0.6
343.17392	1.1
405.17188	3.2
405.24426	2.2
406.24744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.0
59.01383	100.0
60.01708	1.6
61.98829	5.6
69.03474	3.4
70.56319	0.5
70.56700	1.5
71.01385	6.9
71.05031	1.0
72.99332	0.4
73.02959	1.2
74.99128	0.7
75.00916	0.6
80.19557	0.5
80.30621	0.4
82.52901	0.4
85.02966	2.1
87.00919	1.0
89.02452	4.8
93.03466	1.2
101.02464	5.3
113.02483	4.6
113.06116	0.9
118.98071	1.1
119.03527	3.0
120.99699	2.3
121.10274	1.7
125.09826	0.4
127.07774	0.7
135.04532	0.5
137.02592	0.7
137.06155	0.6
139.11327	5.0
146.08295	0.6
149.09770	0.8
157.01509	1.3
158.75533	0.5
161.04620	2.5
165.09258	0.9
167.10829	1.6
173.04639	1.8
179.05699	1.1
180.10628	0.5
183.10301	59.0
184.10631	3.7
191.05713	1.5
207.10364	1.6
214.22272	0.6
225.11351	1.2
303.05807	0.8
311.10535	1.0
318.08386	0.7
324.36548	0.5
329.11554	0.5
330.75064	0.5
331.68274	0.7
333.22696	0.5
345.15579	1.7
405.16815	1.0
405.21432	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	405.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.5
60.99307	13.3
61.98825	2.2
68.55051	0.4
69.03480	0.5
71.01391	3.1
72.99302	0.7
78.95914	0.5
85.02952	1.2
85.73890	0.4
87.00887	0.9
87.92542	1.5
88.98818	100.0
89.02457	4.1
89.99146	1.1
93.03460	0.5
96.96944	0.4
101.02480	1.4
103.92041	2.3
104.92828	1.7
108.02186	3.5
109.02973	2.9
113.02458	1.4
114.94889	0.7
119.03520	1.4
123.94647	0.6
135.04541	0.8
147.94659	1.6
149.02499	0.6
152.01178	3.7
153.01968	3.0
171.94667	3.0
172.12546	0.4
172.99207	0.4
173.04529	0.9
177.01950	6.1
179.03485	0.5
179.05658	0.7
191.05717	2.1
192.04341	2.4
195.06650	0.6
207.06630	0.6
225.07730	0.9
251.28117	0.3
251.73003	0.4
267.98917	1.1
278.32861	0.4
315.07227	6.1
316.07614	0.6
362.74191	0.4
369.08618	0.4
401.78836	0.4
406.01868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	15.8
59.01381	100.0
61.23477	4.9
61.98834	33.1
71.01392	19.8
71.40181	11.5
85.02952	9.4
89.02450	10.5
93.03499	10.2
99.04546	18.5
101.02470	11.9
108.02138	5.3
109.02956	17.3
113.02473	8.4
125.02487	10.9
127.05244	6.5
135.04570	32.1
137.02443	6.6
145.06223	9.6
151.00366	6.0
153.06624	7.3
161.02454	6.9
172.10933	16.7
173.04570	18.7
179.03519	15.5
191.05600	15.0
215.68921	5.5
255.02977	10.1
259.54257	5.4
261.13290	5.8
279.78342	5.3
290.81140	5.1
299.13654	44.5
301.20218	6.6
319.06595	9.8
319.21249	19.5
361.22260	14.8
363.23941	10.3
405.11441	6.9
405.16809	18.9
405.24948	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26781	0.6
59.01374	0.7
61.67886	0.5
69.03458	1.7
70.38768	2.3
70.39120	0.7
71.01388	1.1
71.05029	2.4
72.99316	2.6
75.00886	2.9
83.01399	0.8
85.02982	0.9
87.00867	1.3
89.02470	0.5
98.20279	1.5
99.00868	0.8
112.98825	1.7
124.01663	3.3
129.01932	0.7
135.03029	7.4
142.99899	3.0
152.01187	1.3
153.12860	0.9
173.00948	1.2
175.14981	0.6
179.14490	1.3
181.16006	22.7
182.16304	1.9
193.15984	13.7
194.16325	1.4
197.15530	1.8
209.15518	9.8
221.15456	3.4
225.15088	1.6
235.13359	1.2
237.12929	0.6
237.14963	15.9
238.15295	1.5
239.16620	1.2
246.88063	0.6
249.15039	1.6
265.14456	100.0
266.14764	9.4
267.15985	3.3
293.13962	1.1
365.67081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90010	0.3
59.01372	0.7
61.98834	6.4
63.14848	0.2
69.72973	1.9
78.95908	0.5
92.88153	0.2
94.02996	15.0
95.03372	0.3
98.20570	0.5
111.04556	0.4
117.85115	0.2
119.02526	2.0
137.03592	100.0
138.03957	3.5
191.05623	0.3
387.06866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69967	0.3
55.01885	0.9
56.09310	0.4
57.03448	1.4
57.04063	0.4
59.01387	2.7
61.98842	4.3
66.02904	0.3
67.01875	0.6
68.99814	0.7
69.03454	1.5
70.39017	1.3
71.01390	2.0
71.05031	3.3
72.99306	3.1
75.00878	3.7
83.01402	1.0
83.05059	0.4
85.02989	2.7
87.00898	4.2
89.02446	0.6
95.05074	0.3
97.02935	0.8
99.00888	1.5
101.02509	0.4
108.02193	0.9
109.02953	0.5
111.00901	1.4
112.98841	3.4
115.00431	0.7
115.70563	0.3
117.01956	1.0
121.02995	0.5
124.01688	2.7
129.01959	1.5
135.03026	7.7
139.00369	0.7
142.99892	2.7
147.03035	0.9
152.01181	1.1
153.12892	1.5
169.15996	0.6
173.00948	1.6
175.14928	0.6
177.60316	0.5
179.14417	1.8
181.16008	27.7
182.16321	1.8
182.41222	0.4
191.14418	0.6
193.16000	16.6
194.16327	1.4
195.13928	0.9
195.17502	0.7
197.15533	2.2
209.15474	8.4
210.15866	0.8
211.17091	0.7
212.25337	0.4
221.15501	4.0
222.15761	0.4
223.17102	0.4
225.14972	2.9
235.13405	4.9
237.14966	16.4
238.15254	1.4
239.16539	2.1
249.14967	1.6
251.16589	3.0
253.14328	0.6
265.14450	100.0
266.14795	9.6
267.16022	2.9
279.16019	1.1
285.16992	0.5
293.14008	1.6
313.13455	0.7
319.91849	0.4
325.16562	2.6
403.13007	0.5
403.21088	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.8
61.98849	2.0
64.12018	1.6
69.03467	3.8
71.01389	3.7
71.05043	4.5
71.52727	3.8
72.99314	25.3
75.00883	30.5
81.03481	3.9
83.01411	2.8
85.02945	2.8
87.00880	2.4
89.02470	4.5
93.03562	2.2
95.01375	2.9
96.23685	1.6
97.02967	5.7
99.00905	5.7
105.01920	2.2
108.02254	3.4
109.03007	2.6
112.98804	10.4
123.00913	2.7
124.01672	4.7
125.02478	6.7
130.99870	6.4
135.03023	82.4
136.03328	2.2
139.00537	1.7
140.06960	1.9
141.92531	1.6
142.99879	10.6
147.54716	1.9
149.06027	1.7
151.14929	1.8
153.12955	2.4
170.94287	1.9
173.00920	3.2
179.14435	6.7
181.15999	27.5
193.16014	13.0
195.13885	14.0
197.15504	12.3
205.16008	3.8
209.15436	11.4
221.15521	11.0
225.14972	7.3
233.15497	4.4
235.13380	1.9
237.14984	24.9
238.15334	2.9
239.16553	2.0
249.14989	18.1
251.16544	10.8
263.16312	2.3
265.14462	100.0
266.14789	10.7
267.16080	5.9
279.16052	57.8
280.16425	5.3
281.17477	2.4
285.17044	2.8
293.13974	15.5
316.99106	2.0
325.16617	4.4
403.21536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01306	0.5
57.03442	1.6
59.01383	3.4
60.07594	0.5
61.98827	3.2
67.01895	0.6
68.99802	1.1
69.03463	1.1
71.01385	4.8
71.05025	0.6
71.39722	0.6
71.40051	0.6
72.99315	2.1
73.02937	1.1
75.00887	6.0
83.01394	1.9
84.53996	0.5
85.02966	2.0
87.00894	1.3
88.98856	0.4
89.02475	1.0
97.02933	0.5
99.00887	4.2
101.02464	1.1
108.02178	0.6
111.00900	5.4
112.98834	12.9
113.02496	0.5
115.00396	2.7
117.01942	0.6
124.01695	0.9
129.01961	2.1
135.03020	9.2
139.00485	0.5
142.99890	4.7
145.01421	2.4
152.01175	0.6
153.12839	1.3
155.14343	0.5
159.55573	0.4
162.31390	0.5
169.16019	0.8
171.13931	1.0
173.00937	6.6
179.14372	0.8
181.16017	5.5
193.15977	2.0
195.13911	1.9
197.15488	100.0
198.15842	7.9
201.91072	0.5
205.03505	1.5
209.15434	2.2
221.15479	1.3
225.14931	1.3
235.13373	0.9
237.14978	4.2
239.16655	0.8
242.26801	0.5
249.14912	0.9
251.16426	0.6
253.14444	1.5
265.14447	12.9
266.14816	1.3
267.16000	1.1
274.81329	0.5
279.15988	0.6
283.15390	0.8
293.13962	10.9
294.14270	1.1
325.16580	1.8
403.21445	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03451	1.2
58.42760	0.7
59.01377	4.7
61.98829	14.6
67.01875	1.1
68.99817	1.2
69.03438	1.1
69.19697	0.8
70.12202	1.6
70.12618	3.0
71.01392	6.1
72.99330	1.8
73.02940	1.2
75.00886	5.2
78.95901	1.9
83.01408	1.5
85.02959	2.5
87.00906	3.1
88.98788	0.8
89.02431	1.1
93.03475	1.4
93.29372	0.9
99.00874	4.0
101.02454	1.9
111.00888	4.4
112.98832	13.9
115.00387	1.8
124.01573	0.9
125.02448	0.9
129.01968	3.1
135.03009	6.7
139.00398	2.0
142.99872	4.8
145.01437	3.0
151.00409	1.1
153.12857	1.3
166.02722	2.0
169.15962	0.9
173.00941	5.0
173.04466	1.1
179.14406	1.6
181.05124	2.7
181.16023	3.0
191.05588	5.5
195.13988	1.3
197.15482	100.0
198.15776	7.2
205.03384	1.2
209.15466	1.7
221.15305	0.9
225.14742	0.9
237.14973	3.2
237.56372	0.7
253.14482	1.7
255.16158	0.9
265.14490	2.3
267.16049	0.9
293.13922	12.6
294.14343	1.5
325.16513	1.3
403.17389	2.9
403.21484	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	403.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01376	2.9
61.98837	2.3
65.22205	0.4
67.01891	0.5
68.99819	1.6
69.03462	1.2
69.73328	1.6
69.73738	0.9
71.01390	6.0
72.99310	2.1
73.02943	0.8
75.00879	5.7
78.36147	0.4
83.01387	2.1
85.02975	2.1
87.00887	1.4
88.98797	0.4
89.02449	1.3
89.75700	0.3
89.95491	0.3
95.01368	0.5
99.00317	0.6
99.00903	5.2
100.40205	0.4
101.02460	1.4
111.00906	5.2
112.98833	11.9
113.02438	0.7
115.00424	2.2
116.24862	0.4
117.01947	0.6
124.01680	0.7
124.98796	0.4
129.01973	1.6
135.03030	8.7
139.00386	0.4
142.99884	4.1
145.01453	3.0
153.12836	0.9
155.14526	0.5
171.13994	0.9
173.00949	5.0
175.02563	0.7
179.14391	0.9
181.16014	5.5
182.16325	0.5
184.11975	0.5
193.16051	1.8
195.13974	1.5
197.15489	100.0
198.15836	8.6
205.03526	1.3
209.15500	2.0
221.15489	1.2
225.15022	1.2
235.13448	1.2
237.14993	4.5
249.14973	0.5
251.16557	0.5
253.14468	1.7
255.15964	0.5
265.14447	10.4
266.14774	1.4
267.15866	0.5
279.15881	0.4
283.15518	0.8
293.13965	11.5
293.17188	0.7
294.14355	1.2
295.15759	0.5
325.16528	1.2
346.45593	0.4
368.75912	0.4
389.48453	0.4
403.21320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.2
61.98832	2.9
67.01912	1.3
69.03466	2.3
69.62997	8.8
71.01390	2.9
72.99315	52.9
77.04022	1.8
78.95932	2.7
81.03481	4.0
83.05049	2.9
85.02965	17.8
87.00900	7.3
93.03473	23.5
94.03854	1.5
95.01418	3.9
95.05054	5.2
97.02997	2.6
98.20749	1.1
105.03481	3.4
107.05051	2.0
108.02193	2.3
109.02967	9.9
111.00896	1.2
111.04540	7.6
113.02487	2.4
121.02972	12.1
121.76810	1.0
122.03799	1.3
123.00920	3.7
123.04549	15.5
124.01687	9.0
125.02457	2.5
127.04052	2.5
129.02000	1.1
133.02989	6.2
135.04552	2.5
136.01683	2.0
137.02470	48.3
138.02818	2.0
139.04030	10.8
140.62428	1.1
149.02464	17.9
150.03209	1.6
151.04047	6.5
155.03534	3.6
157.05124	1.7
163.25229	1.0
165.01945	3.1
167.03531	31.3
168.03949	1.3
171.03006	1.7
173.04573	39.6
174.04910	2.2
176.01106	1.4
177.01959	2.0
178.70676	1.0
179.03343	1.1
191.05630	100.0
192.06023	6.7
193.01382	13.1
193.05928	1.2
195.03018	5.5
211.02501	4.2
247.04581	8.5
369.08356	1.8
403.08844	4.2
403.21225	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	403.1759
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
53.03340	0.4
59.01375	1.8
61.98834	11.9
64.24010	0.4
66.91667	0.4
67.01885	0.9
71.01406	0.7
76.44203	0.4
78.95927	1.0
81.03452	0.5
83.01384	2.0
84.50043	0.4
89.02487	0.6
93.03441	0.5
95.01408	1.2
109.02981	1.6
109.72427	0.4
110.00079	0.6
111.00913	3.2
111.08176	1.7
112.98831	0.9
119.05025	0.5
121.02966	1.0
121.55585	0.4
122.03781	0.5
123.00898	5.5
124.01712	4.9
125.02478	2.5
125.99577	0.7
127.00394	3.0
129.07181	0.4
133.02965	1.5
135.04546	3.0
136.98849	2.7
137.02470	3.0
137.99559	0.5
138.03235	1.5
139.00404	17.0
139.04033	5.2
140.00970	0.9
141.01990	0.5
145.06613	0.5
147.08224	0.8
149.02461	1.4
150.03242	0.9
151.00397	23.3
151.04004	3.0
152.01189	12.5
152.04787	0.8
153.01967	5.1
154.02774	3.2
161.02461	0.5
163.04079	2.1
163.07669	3.0
164.04854	4.0
165.01958	1.1
166.02739	53.7
167.03510	12.9
168.04143	0.7
173.06107	1.8
173.08183	1.3
175.04060	2.2
175.07663	0.8
176.04790	1.5
177.01939	0.8
177.05556	0.9
178.02753	0.9
178.06369	3.1
179.03531	2.9
179.07150	4.5
180.04298	8.8
181.05084	68.3
182.05396	3.2
189.05605	1.3
190.06380	11.3
191.03725	0.5
191.07162	10.9
192.07664	1.3
193.05153	1.2
193.08699	1.8
194.05843	3.7
195.06645	7.3
195.08273	0.6
201.05591	0.7
205.08728	6.5
206.05876	1.5
206.09436	3.1
207.06618	1.4
207.10381	0.5
208.07387	0.9
209.08191	2.4
218.05841	2.2
219.06743	0.7
220.07423	0.9
221.08257	3.6
221.11815	0.6
233.08232	2.8
234.08801	0.5
235.09686	0.6
297.07535	0.7
306.07465	2.0
307.05948	0.5
324.06647	0.5
325.07260	0.9
335.66882	0.5
340.09500	1.1
345.13608	2.2
355.11856	3.7
356.12372	0.6
369.04236	0.4
370.14191	2.5
371.14392	0.5
373.12939	17.1
374.13242	1.7
385.12317	0.6
385.16553	3.7
387.14737	1.0
388.15305	28.2
389.15598	4.3
391.69623	0.4
403.17630	100.0
404.17938	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	401.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.3
61.98852	1.5
65.00321	2.2
67.01894	0.4
71.01403	1.5
71.72108	0.6
81.03483	1.4
82.00629	1.5
83.01413	0.5
89.02450	2.2
93.03491	2.0
95.01443	0.8
95.05081	0.6
97.02964	5.6
98.00075	0.5
99.00917	1.2
101.02469	1.0
105.03468	0.7
107.05080	0.5
109.02968	3.4
110.00114	6.0
111.00909	0.9
112.98843	1.8
113.02466	1.1
119.03515	0.5
120.99403	0.7
121.02981	11.9
122.00111	0.6
123.00891	3.4
125.02484	4.3
125.99608	7.1
134.03752	1.1
135.04550	7.1
137.02470	20.0
137.99619	9.7
138.03102	0.6
139.00400	1.7
139.04045	1.2
141.01973	1.9
144.81140	0.4
149.02487	3.9
152.01143	0.8
153.01961	81.4
153.99098	5.3
154.02281	3.7
155.03537	4.7
161.02472	0.6
162.03239	0.9
163.04034	44.1
164.04602	4.0
165.05630	1.9
168.04303	100.0
169.01396	1.0
169.04633	4.4
170.01787	0.5
177.01950	26.3
178.02765	17.4
178.06374	41.8
179.03149	1.3
179.06807	2.3
181.01366	1.0
181.06551	0.9
191.03592	0.9
192.04308	38.4
193.05046	9.4
193.08711	27.1
194.05325	0.5
194.09029	1.8
207.06641	50.2
208.07011	3.6
276.17401	0.4
313.07129	2.6
341.10849	2.8
353.77469	0.4
386.13736	1.3
401.08823	2.7
401.15948	24.3
402.08557	0.5
402.16318	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83140	1.0
55.01864	1.5
56.43090	1.1
57.03438	1.1
59.01377	14.9
60.99306	2.9
61.98821	1.0
65.90561	1.0
67.01880	1.6
68.99852	1.2
69.03452	1.5
71.01392	15.7
71.70219	1.0
72.99300	4.2
73.02943	3.7
75.00870	1.0
81.03452	1.8
83.01399	2.5
85.02962	9.3
87.00890	45.6
88.98814	17.4
89.02457	14.0
93.03457	9.4
95.01381	1.5
96.95981	1.1
96.96966	2.1
99.00863	1.4
101.02459	9.5
108.02190	4.3
109.02981	7.8
111.00916	2.7
111.04525	2.7
113.02471	7.7
119.03508	4.5
121.02962	3.1
121.04881	0.9
123.00893	4.0
123.04527	3.2
125.02486	1.5
131.03534	1.7
133.02940	1.5
135.04533	4.0
137.02458	5.8
138.03223	2.5
138.05716	1.1
139.04091	1.3
147.04543	1.4
149.02377	3.5
150.03220	3.0
151.00401	2.0
151.04050	6.7
152.01128	4.1
152.07091	1.2
153.01932	3.7
153.05571	3.0
155.03548	1.4
159.04475	1.1
161.02487	5.5
161.04570	3.1
163.00342	1.5
163.04030	15.6
163.23618	1.1
164.03630	1.1
164.04819	11.8
165.01935	2.0
165.05574	5.9
166.02762	5.9
167.03410	1.5
171.02872	1.8
173.02422	1.3
173.04601	16.6
175.03960	3.2
176.04788	8.4
177.01932	4.1
177.05450	2.5
178.02742	1.3
178.06358	14.8
179.03569	7.8
179.05600	4.2
179.07124	23.5
180.07512	1.6
181.05080	5.0
183.02979	1.4
187.04044	2.4
188.04762	1.1
190.99936	1.5
191.03525	17.5
191.05614	30.6
191.07207	5.3
192.04170	3.4
192.05957	1.5
193.05023	6.2
193.08676	2.6
194.05840	5.5
195.02959	1.3
203.03497	5.6
204.04269	2.0
205.05074	7.4
206.02174	1.2
206.05855	7.1
207.06624	3.2
208.07207	1.9
209.00909	2.1
209.08197	6.4
218.05769	2.9
219.03015	3.4
219.06390	1.4
221.04567	4.5
221.08075	7.3
227.05731	1.6
231.03001	1.4
232.03593	1.3
233.08037	1.6
234.05391	2.5
235.06000	3.0
236.06895	2.1
237.07703	3.6
246.05263	1.5
247.02419	4.8
247.06161	3.3
249.07689	3.7
251.09167	2.7
261.07651	2.6
262.04807	8.4
265.07150	51.6
266.07446	3.4
277.07159	26.6
278.07584	2.3
295.08252	60.1
296.08545	6.6
325.09250	1.8
341.07132	2.1
341.10901	20.3
355.10358	17.8
383.09897	6.8
401.10919	100.0
401.19443	2.8
402.10672	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	400.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.1
61.98515	1.9
61.98833	31.6
67.01878	1.7
69.03477	1.1
71.01389	6.4
71.69769	1.3
72.99312	1.3
73.02972	1.0
74.02489	1.5
74.99117	1.0
78.95912	14.0
83.01401	0.9
83.05060	1.6
85.02966	6.5
87.00896	3.1
89.02447	4.2
90.98605	4.2
93.03463	12.7
94.36810	0.9
96.96966	3.6
99.00793	0.8
101.02456	5.6
107.05097	1.2
108.02193	3.6
108.04560	2.1
109.02966	9.3
111.04539	5.5
113.02489	1.9
115.00425	1.0
115.92088	1.3
116.92087	1.9
116.92860	1.8
119.05046	45.1
120.05373	1.9
121.02912	1.2
123.04563	1.5
124.04066	1.0
125.02457	1.3
127.04027	1.5
128.03551	1.6
129.01955	1.9
134.03738	1.1
135.04503	6.4
137.02475	2.8
151.00476	1.6
152.01208	4.7
153.01926	2.7
155.03513	5.2
159.04488	1.8
161.04648	1.2
163.04037	100.0
164.04359	7.2
173.04579	15.7
174.04935	1.9
178.01781	2.7
178.99896	1.5
179.03513	4.4
179.05710	1.3
187.07611	1.7
190.99947	1.9
191.05637	60.8
192.05983	2.4
205.08675	1.4
209.00887	1.4
225.62387	1.0
229.01407	1.2
242.02827	0.9
271.02502	1.7
291.08975	1.7
300.02716	2.6
301.03476	2.7
337.09335	27.3
338.09598	4.1
341.11060	6.7
356.14648	2.9
400.11172	3.7
400.17157	1.6
401.11246	10.7
409.12582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
59.01379	1.0
61.98833	100.0
62.27222	0.2
69.35897	2.0
71.01386	0.9
71.38184	0.2
73.02947	0.2
83.01390	0.2
85.02987	0.4
87.00884	0.4
89.02454	0.2
93.03481	0.7
95.60793	0.2
99.00877	0.9
101.02479	0.3
108.02205	0.8
109.02980	1.1
113.02451	0.2
115.00387	1.2
119.03649	0.2
124.49287	0.2
135.04562	0.8
139.00401	0.5
147.04539	0.2
149.06090	1.3
152.01190	0.9
153.02016	0.4
155.03700	0.2
159.02969	0.4
161.02484	1.8
161.04675	0.2
161.06102	0.2
163.04132	0.2
165.01941	0.5
165.05585	0.2
173.04597	0.8
175.02525	1.0
175.03946	0.4
177.01952	2.8
179.03564	1.1
191.05614	2.7
193.04987	0.2
206.02213	0.4
219.03055	0.4
225.79774	0.2
233.04549	1.8
237.04065	0.5
259.74435	0.2
277.03528	6.2
278.03995	0.6
293.06778	0.3
293.17679	0.2
319.04565	2.6
320.05093	0.3
337.05640	2.8
341.10852	0.3
383.09869	0.2
400.05237	1.9
401.06033	0.4
401.11172	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	400.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95105	0.2
59.01375	0.5
61.98834	100.0
62.98548	0.3
69.37686	0.6
69.38107	1.3
71.01395	0.5
83.01426	0.2
87.00900	0.4
92.75352	0.2
93.03497	0.4
95.85472	0.2
99.00877	1.1
108.02221	0.5
109.02997	0.8
115.00406	1.3
133.03001	0.3
135.04536	0.4
137.80180	0.2
139.00449	0.6
147.04431	0.2
149.06119	1.3
152.01176	0.4
153.01913	0.2
157.01465	0.4
159.02982	0.2
161.02492	1.8
165.01996	0.5
173.04625	0.7
175.02536	1.0
175.03949	0.4
177.01973	2.0
177.05577	0.2
179.03621	0.3
179.53212	0.2
187.07755	0.2
191.05637	1.8
206.02312	0.5
219.03050	0.5
226.12869	0.2
233.04535	1.8
237.04089	0.4
277.03558	5.4
278.04022	0.5
293.06696	0.2
307.34384	0.2
319.04639	2.0
320.04886	0.3
337.05652	2.4
337.09140	0.2
338.06134	0.4
388.50354	0.2
400.05237	1.8
401.06183	0.3
401.11206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.8
59.64597	0.3
61.98835	0.3
66.03487	0.6
67.80298	0.2
68.05056	0.2
69.03446	0.4
69.04601	0.3
70.06642	0.4
70.47485	0.4
70.47887	0.5
71.05018	0.2
82.02976	0.2
92.05070	4.9
92.34460	0.2
94.02979	0.5
95.03782	0.5
98.04140	0.2
102.03504	0.2
111.82056	0.2
116.05099	0.4
117.04617	2.1
118.03002	1.6
118.06654	0.6
120.04575	0.5
122.61642	0.2
131.03790	25.2
132.04581	25.5
133.04932	1.3
135.03072	0.2
144.03477	0.5
144.04567	5.7
145.04097	7.4
145.05164	0.3
145.07726	0.5
146.00813	0.2
146.02444	0.6
146.04425	0.4
146.06142	8.6
147.06474	0.4
151.11319	0.4
153.12869	6.4
154.13152	0.3
157.05351	0.5
158.04921	0.4
158.06119	5.9
159.06477	0.3
160.03995	0.3
167.06184	0.8
169.15991	5.4
171.05670	1.4
171.13953	0.3
172.06447	0.4
173.07213	10.0
174.07532	0.4
181.16005	0.6
183.09282	0.5
184.04004	0.6
185.07225	2.7
186.07483	0.2
194.15509	2.6
195.15968	0.3
195.17470	1.1
196.17081	100.0
197.15610	0.4
197.17410	8.3
201.10358	6.2
202.10667	0.8
209.19194	0.4
221.00432	0.2
222.18639	8.2
223.18996	0.6
224.20206	4.0
248.16562	0.4
266.17538	2.2
267.17969	0.3
285.17340	0.6
311.18964	2.1
321.17102	1.5
327.20752	6.2
328.21024	0.9
337.22958	0.4
355.23907	16.2
356.24173	2.5
399.22903	61.9
400.23206	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	399.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
57.03446	1.1
59.01383	6.5
61.98829	1.7
63.19651	0.5
63.47077	0.5
67.01888	2.7
68.99810	1.5
69.03457	7.0
70.05716	1.3
70.06135	2.4
71.01380	4.0
72.99319	1.1
73.02947	1.0
75.00889	2.0
80.02686	0.7
83.01424	3.2
85.02959	2.8
87.00904	0.8
91.26466	0.6
92.05093	1.1
93.03455	1.5
95.01434	1.4
95.26352	0.6
97.02966	0.9
98.20547	0.8
99.00904	2.2
108.02201	2.2
111.00912	6.9
112.98823	2.6
113.02467	1.5
115.00372	0.7
121.02951	1.1
123.00912	1.0
124.01698	2.6
124.98827	1.3
125.02505	1.0
129.02008	1.1
131.03816	3.5
132.04582	4.9
135.03036	4.9
136.01741	0.5
137.02443	0.8
139.00374	1.7
142.99883	3.1
144.04597	1.1
146.06169	0.8
148.32175	0.6
151.04030	0.6
152.01208	2.2
153.12900	0.7
158.06184	0.8
167.06163	7.7
168.06371	0.6
169.01482	1.2
169.16008	1.7
171.13988	0.9
173.00900	5.1
173.04607	0.7
173.07219	1.3
181.15993	2.1
183.17592	0.9
185.07269	1.7
194.88446	0.6
196.17093	10.1
197.17360	1.1
199.02739	0.7
199.17064	0.9
201.10384	0.7
203.18163	0.7
205.15987	0.7
207.17543	2.5
209.19150	15.7
210.19466	1.6
219.17662	0.9
221.19133	2.5
222.18677	2.3
223.17097	1.0
225.18646	6.7
226.18771	0.8
233.19102	1.3
237.18642	6.3
238.18869	1.0
249.18565	5.4
263.16492	4.8
263.19135	0.6
263.19986	0.6
264.17191	0.8
265.18085	13.4
266.18243	1.6
267.19669	1.1
275.20236	1.2
277.18115	2.6
279.19589	1.2
281.17545	1.1
293.17627	18.0
293.20987	1.2
294.17993	2.0
295.19177	2.3
307.19089	1.2
321.17102	100.0
322.17435	13.1
323.18585	2.0
337.23187	1.3
351.18073	3.1
353.19739	7.2
355.24063	2.8
381.19186	2.9
399.22906	5.9
400.23062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03444	0.6
59.01371	0.9
61.98811	0.5
67.01899	2.2
68.99820	0.5
69.03461	5.5
70.85204	0.6
71.01386	1.7
72.99311	0.7
75.00877	1.4
80.02692	0.6
81.03462	0.4
83.01401	3.8
83.05030	0.3
84.02206	0.3
84.96985	0.2
85.02956	2.1
87.00883	0.6
91.01867	0.2
93.03468	0.7
94.49610	0.2
95.01400	1.0
95.05047	0.4
97.02953	0.5
99.00888	1.9
101.02505	0.2
106.04254	0.5
108.02183	2.0
109.02952	0.4
110.03796	0.3
111.00897	5.9
112.98830	2.9
113.02463	1.7
115.00417	1.0
121.02991	0.5
122.03790	1.0
123.00932	0.7
124.01679	2.2
124.98799	0.3
125.02476	0.5
127.00363	0.5
129.01976	0.3
135.03026	3.6
136.01707	0.4
137.02489	0.3
138.03247	0.4
139.00435	1.4
142.99886	2.9
144.00192	0.2
150.03255	0.5
152.01210	2.2
159.02968	0.3
166.02615	0.2
173.00963	1.8
175.02505	0.8
179.14450	0.3
180.00662	0.6
181.15971	1.4
181.54158	0.2
183.17558	0.9
191.05598	0.3
199.06758	0.2
199.17027	0.3
203.18044	0.7
205.16089	0.4
207.17570	3.0
208.17766	0.2
209.19119	15.2
210.19466	1.4
219.17502	0.8
221.19095	3.5
222.19437	0.3
223.17079	0.6
223.20728	0.3
225.18613	3.9
226.18967	0.7
233.18996	1.1
235.17094	0.5
237.18614	5.9
238.18983	0.6
245.19128	0.2
247.17020	0.7
249.18584	6.4
250.18860	0.6
251.20119	0.2
253.18059	0.5
263.16522	4.8
263.20148	1.1
264.17032	1.0
264.19940	0.2
265.18076	14.0
266.18472	1.7
267.19699	0.7
275.16690	0.5
275.20139	1.7
277.18112	4.5
278.18494	0.6
279.19632	0.6
281.17496	1.3
289.18207	0.5
292.16940	0.3
293.17587	18.6
294.17953	2.3
295.19073	1.3
307.19003	1.0
319.19095	0.3
321.17078	100.0
322.17404	13.0
322.21313	0.4
333.17172	0.2
337.20059	0.4
353.19699	6.1
354.20023	0.7
381.19250	2.1
382.19211	0.3
399.20358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1299
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
59.01369	1.1
61.98823	1.0
63.05295	0.5
67.01894	1.0
67.50066	0.6
71.01387	1.4
71.71518	1.1
81.03477	1.5
85.02962	3.5
86.55473	0.6
93.03476	3.4
95.01388	0.8
101.06107	3.6
107.01389	0.9
108.02194	100.0
109.03015	21.2
110.03337	0.8
111.04583	0.7
113.02463	0.8
121.02999	0.7
123.00894	1.0
125.02486	0.7
133.02985	2.1
135.00960	0.9
135.04553	3.2
138.25624	0.6
151.03996	1.5
152.01181	61.2
153.01985	17.3
154.02289	0.8
155.62262	0.7
163.04021	1.7
173.04565	5.5
179.03537	0.9
180.97185	0.6
191.05635	7.2
201.77365	0.6
229.01358	0.8
271.02484	1.4
299.01843	0.8
311.05588	0.9
395.91150	0.6
399.12997	79.2
400.13300	10.8
402.38406	0.7
411.10672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
57.03445	0.9
59.01368	0.8
65.00338	0.4
67.01897	2.1
68.99826	0.6
69.03465	5.4
70.64896	1.0
71.01375	1.6
71.05020	0.3
72.99319	0.4
75.00865	0.9
80.02662	0.4
81.03438	0.5
83.01392	3.9
83.05044	0.4
85.02962	1.7
87.00866	0.7
89.02468	0.5
93.03444	0.5
95.01400	1.2
95.05033	0.4
97.02916	0.4
97.65113	0.3
98.20554	0.4
99.00894	1.5
99.25877	0.3
103.65146	0.3
108.02177	1.8
109.03005	0.5
111.00896	5.5
112.98831	3.0
113.02456	1.5
115.00383	0.7
122.03766	0.9
123.00877	0.7
124.01704	2.6
125.02441	0.6
127.00359	0.7
135.03017	4.0
136.01692	0.5
137.02467	0.4
138.13550	0.3
139.00415	1.5
142.99866	3.0
145.01488	0.4
152.01160	2.2
169.16130	0.3
171.14027	0.3
173.00955	2.2
175.02493	0.6
180.00706	0.4
181.15976	0.6
183.17604	0.7
199.17088	0.5
203.17969	0.4
205.15932	0.4
207.17532	2.7
209.19121	14.2
210.19498	1.4
219.17557	0.9
221.19118	3.5
225.18588	3.9
231.17398	0.4
233.19061	1.0
235.16934	0.4
237.18623	5.4
238.18939	0.6
247.16795	0.5
249.18576	6.6
263.16537	4.7
263.20074	1.4
264.17007	0.6
265.18066	13.6
266.18365	1.2
267.19678	0.5
269.32715	0.4
275.16534	0.4
275.20206	1.3
277.18079	4.4
278.18460	0.5
279.19650	0.9
281.17578	1.2
289.18240	0.3
293.17581	18.2
294.17871	2.1
295.19150	1.0
307.19205	1.0
321.17084	100.0
322.17429	12.0
337.20132	0.5
353.19684	5.3
354.19925	0.7
381.19196	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	398.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82384	1.0
58.14810	0.9
61.98835	100.0
77.14220	0.9
83.05061	1.2
93.03465	10.5
108.86540	0.9
111.04558	3.8
133.02974	4.5
134.03760	2.3
135.04549	76.8
136.04871	3.7
137.02473	6.8
145.09746	1.0
151.24991	1.1
155.03557	1.3
161.02470	17.4
162.97205	1.1
173.04584	2.3
179.03525	69.2
180.03827	4.7
191.05449	1.1
216.79277	1.1
229.60547	1.1
335.07739	75.0
336.08081	7.8
406.47745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51929	1.0
59.01379	2.0
61.98515	2.0
61.98834	40.4
65.85137	0.9
71.01375	1.9
71.61712	2.2
72.26468	0.9
73.02937	0.8
83.05025	2.2
84.57404	0.8
93.03471	15.0
99.00862	1.1
109.02990	1.5
111.04538	5.1
133.02977	9.9
134.03751	3.4
135.04549	90.0
136.04860	4.8
137.02473	8.4
149.02507	1.1
155.03517	2.5
161.02469	48.9
162.02792	3.7
173.04579	5.6
179.03517	85.0
180.03825	4.9
191.05585	3.1
327.60107	1.1
335.07742	100.0
336.08154	11.3
386.21432	1.1
399.08237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16769	0.9
57.03448	2.9
59.01377	5.3
60.99285	1.2
61.98834	95.0
63.02395	0.8
64.01920	1.2
67.01897	1.7
69.37759	7.8
71.01385	4.2
72.99314	0.9
79.90314	0.8
79.93631	0.8
81.03492	0.9
83.01379	1.6
83.05025	1.6
85.02955	2.8
87.00896	1.0
88.98822	3.0
89.02466	1.9
93.03467	25.1
98.19884	1.3
99.04499	0.8
100.51130	0.8
101.02467	1.5
104.75590	0.8
107.01411	3.4
108.02183	1.1
108.12194	0.7
109.02969	4.0
111.04528	6.9
119.03562	1.3
123.25864	0.8
125.02446	9.2
133.02022	1.7
133.02977	22.9
134.03670	0.9
135.04547	25.0
136.04837	1.3
137.02464	10.9
151.00404	11.6
152.01242	1.0
153.01930	0.9
155.03563	5.3
161.02467	100.0
162.02834	6.9
163.03984	1.1
169.01454	1.7
173.04567	15.3
175.11284	3.2
178.99911	10.5
179.03514	11.5
180.56615	0.8
191.05624	8.3
206.00983	2.7
209.06039	1.0
217.03262	2.1
217.53442	1.0
219.10278	5.1
225.02354	1.1
237.05475	1.5
253.05084	2.2
254.05817	1.8
255.06654	5.1
256.07068	1.6
257.84775	0.9
265.05029	1.6
298.05856	1.7
299.05722	1.3
307.88126	0.9
308.04272	3.0
309.04047	2.3
312.05502	2.9
317.04803	2.8
317.54935	1.5
335.07736	82.4
336.08075	9.6
355.08371	0.9
387.39816	1.0
398.07330	4.6
399.08505	1.8
399.16766	2.0
417.05997	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	397.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.3
61.98819	1.4
65.21003	1.0
69.53517	6.6
69.53951	4.2
73.02958	2.9
79.37547	1.1
96.96016	2.9
98.19738	1.3
148.14156	1.1
153.12825	2.5
155.14432	4.6
155.66049	0.9
167.14401	3.5
169.16014	9.9
170.16327	1.5
171.13928	100.0
172.14317	5.2
183.13925	3.1
185.15474	20.4
186.15836	1.9
190.07578	1.2
197.15472	3.5
199.17049	37.5
200.17355	4.0
212.66086	1.0
225.14842	1.7
229.14433	2.7
248.09294	1.3
266.33362	1.3
295.30051	1.4
323.29572	4.3
325.31116	28.9
326.31421	4.7
346.50433	1.1
351.29037	6.6
353.30573	3.7
397.22607	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	398.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23213	0.7
57.53144	0.7
59.74009	0.7
61.98835	100.0
63.58565	0.7
73.02980	0.9
83.05022	0.8
93.03477	6.9
98.52600	0.8
104.90724	0.8
111.04543	3.0
117.80556	0.7
118.09299	0.8
133.02979	3.8
134.03761	2.6
135.04549	62.0
136.04868	4.5
137.02458	4.7
155.03596	1.6
161.02484	17.2
173.04633	1.6
179.03516	66.4
180.03831	4.9
182.20709	0.9
204.00066	0.8
257.07520	0.7
335.07742	72.2
336.08261	4.3
384.37503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26414	0.4
55.83195	0.4
57.03449	0.8
59.01384	2.9
61.98825	1.8
67.01881	0.5
67.53651	0.4
69.35284	0.4
71.01394	2.0
72.28985	0.4
73.02953	1.0
78.95908	1.3
85.02965	9.5
87.00874	2.0
88.98808	1.6
89.02457	1.4
93.03474	2.2
93.74387	0.4
96.96976	1.7
99.04538	1.1
101.02465	6.6
109.03033	0.5
111.04520	0.8
112.98808	0.4
113.02459	1.2
114.07332	0.4
117.01921	0.6
125.02380	0.4
127.04031	2.0
131.03621	0.4
133.05113	0.7
138.16031	0.4
143.03529	0.4
151.04033	0.7
152.03572	0.5
161.02509	0.5
161.04585	1.5
171.02937	0.5
173.00983	0.7
173.04536	1.2
179.05615	0.5
179.77005	0.5
191.05634	100.0
192.05960	4.4
323.09784	1.7
340.33148	0.4
343.10452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04787	0.5
54.65203	0.5
59.01376	3.1
60.17577	0.5
61.98827	1.7
71.01379	0.8
71.69723	0.7
71.70145	0.7
77.11115	0.4
79.68189	0.4
82.61155	0.5
84.61311	0.4
89.02436	1.1
99.43336	0.5
101.02435	0.5
104.77193	0.4
107.05079	1.1
113.02456	1.1
119.03502	0.5
135.04547	22.8
136.04887	1.6
137.02434	0.7
153.96776	0.4
159.60394	0.4
163.04031	97.7
164.04375	5.3
174.36133	0.5
177.05623	0.5
178.06377	86.7
179.03572	0.6
179.06737	6.0
191.14514	1.0
193.08716	100.0
194.09061	8.3
195.23055	0.6
235.13316	0.7
243.43413	0.5
257.53635	0.5
260.58145	0.5
266.39322	0.5
277.14352	0.5
397.13974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01372	3.0
60.17678	0.5
60.55924	0.5
61.98833	1.3
62.26154	0.7
65.31455	0.5
68.43908	0.6
71.52520	1.1
73.34384	0.6
93.20882	0.5
98.03746	10.7
100.31754	0.5
125.09706	0.5
137.15160	0.6
141.00337	0.5
153.12875	5.6
155.14372	1.3
169.16040	3.8
171.13940	3.2
179.14404	0.9
195.17586	0.7
197.15482	100.0
198.15837	8.7
211.17020	1.2
223.17047	1.0
244.65685	0.6
250.15686	1.3
297.08197	0.6
302.62543	0.6
303.11487	0.6
307.30020	3.9
309.27927	4.1
333.31641	2.3
340.85611	0.5
351.29065	27.7
352.29428	4.5
352.73917	0.6
377.30585	2.2
395.27795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55083	0.2
59.01380	1.2
60.01722	0.2
61.98834	100.0
69.90487	1.2
69.99207	0.2
77.32490	0.2
78.95932	0.2
133.97476	0.2
135.04593	0.3
222.74913	0.2
260.90802	0.2
261.70181	0.2
291.76270	0.2
293.50125	0.2
396.08719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
60.94544	0.4
61.98835	100.0
71.70054	0.6
78.95907	0.8
102.44970	0.4
116.92889	0.3
126.65144	0.4
127.42173	0.4
181.65472	0.4
197.15445	0.5
318.66833	0.4
395.24313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98270	0.6
51.85841	0.7
56.50399	0.6
57.03456	0.7
58.00610	0.7
59.01383	80.2
60.01709	1.1
61.98831	1.4
71.00995	0.9
71.01391	15.8
71.33647	1.6
72.99336	0.8
76.21600	0.7
78.95921	3.7
83.05052	0.7
85.02982	1.6
87.00906	1.3
89.02459	21.6
101.02461	9.1
102.37029	0.6
103.52425	0.6
106.30594	0.6
113.02463	4.3
119.03528	3.7
131.03514	1.3
137.23073	0.7
143.03561	1.5
149.04607	1.2
161.04568	1.7
171.13850	0.7
179.05630	6.2
215.16542	100.0
216.16853	9.3
395.23517	1.2
395.28137	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	395.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.8
59.01365	0.6
59.57712	0.5
61.98837	0.9
67.69887	0.5
70.27633	2.4
71.05010	0.7
83.05016	0.6
85.01755	0.4
95.05064	0.5
96.85361	0.5
104.04365	0.4
104.10191	0.5
124.66596	0.5
139.11389	0.5
151.11307	1.0
153.12888	10.0
154.13272	0.6
169.16014	7.2
171.13992	0.8
179.14398	3.4
181.16006	1.8
183.17560	1.9
195.17557	8.6
196.17706	0.9
197.15472	2.2
197.19127	1.9
205.93147	0.5
229.36676	0.6
240.24338	0.5
279.26865	1.0
295.30115	1.9
305.28510	0.8
307.30072	89.4
308.30423	11.4
333.27866	1.3
351.29053	100.0
352.29395	15.5
395.27701	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	395.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
58.03789	1.9
58.99622	0.8
59.01383	90.0
61.90326	0.9
61.98836	4.6
62.20777	0.8
63.99286	0.9
64.79161	0.8
69.50159	1.2
69.50560	7.9
71.01390	18.2
73.02958	5.5
73.09144	0.9
81.03473	1.3
83.01402	3.9
85.02959	10.9
87.00893	1.3
88.98824	1.4
89.02441	2.7
93.03487	1.6
95.01421	1.5
98.19817	1.7
99.00898	2.1
99.04535	73.8
100.04282	0.9
100.04871	3.1
101.02460	33.0
102.02742	1.2
104.44746	0.9
108.83757	0.8
113.02491	7.4
119.46478	1.0
125.02470	21.0
125.03314	1.8
125.49601	0.8
135.04573	1.4
143.03551	2.2
159.02998	1.2
161.04584	8.3
173.04549	2.0
177.02022	2.3
191.05690	4.6
212.15002	0.9
237.38260	0.9
251.11380	27.0
252.11769	2.4
258.63312	0.9
293.12463	3.9
333.15558	2.1
395.15503	2.9
395.19739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03452	100.0
58.03792	1.8
59.01382	91.9
60.91631	1.0
61.95724	1.0
61.98840	6.1
71.01388	21.7
71.47494	2.3
73.02954	6.6
81.03485	1.6
83.01398	3.2
84.03424	1.3
85.02961	10.8
87.00911	2.0
88.98829	1.5
89.02458	4.1
93.03461	1.4
94.15117	1.1
95.01394	1.3
99.00890	3.5
99.04534	80.2
100.04888	2.2
101.02460	36.2
113.02463	9.2
125.02478	22.9
135.04648	1.0
141.94055	1.1
143.03497	2.3
144.28073	1.0
146.12279	1.0
159.03056	2.0
161.04533	7.5
173.04576	1.9
191.05635	4.5
233.06647	1.2
251.11363	26.5
252.11574	1.8
293.12500	2.2
333.15521	1.4
335.17230	5.4
368.46280	1.1
395.15405	4.5
395.23444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00870	0.1
56.10220	0.1
58.36819	0.1
59.01379	0.3
60.90765	0.1
61.98817	0.2
62.96429	0.3
71.70630	0.1
78.95915	100.0
79.67873	0.1
96.96977	3.5
112.13901	0.1
134.44463	0.1
166.88216	0.1
191.05614	0.2
226.40361	0.1
394.23654	28.4
395.24011	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	394.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61414	0.2
53.16798	0.2
59.01384	3.5
60.01724	0.4
61.98828	0.5
62.96407	0.2
63.53316	0.1
71.01387	0.2
71.60671	0.2
71.69814	0.2
78.95912	100.0
89.02460	0.3
96.96978	3.6
104.34039	0.2
142.99799	0.3
197.15503	0.3
264.16031	0.6
308.18634	1.8
315.51416	0.2
334.23346	0.2
350.23529	0.3
379.56903	0.2
394.23633	27.0
395.23987	4.1
400.50662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33517	1.0
61.98835	100.0
65.20739	1.0
70.04469	1.9
70.04879	4.6
94.74252	1.0
98.19867	1.2
120.10086	1.0
120.63055	1.1
174.74171	1.0
192.27019	1.2
197.15445	3.3
214.96767	1.1
225.18553	1.6
331.26544	3.2
355.86316	1.2
394.30460	3.9
395.26199	1.9
395.31393	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	395.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16068	0.5
53.57781	0.5
54.25898	0.5
57.03449	4.3
59.01381	14.0
60.99305	1.3
61.98832	1.2
62.26136	0.5
64.92542	0.5
67.01894	0.6
69.03465	3.1
69.50867	1.1
69.51271	4.3
71.01382	4.0
71.05029	1.4
72.97531	1.0
73.02944	1.2
75.00897	0.6
76.42568	0.5
81.03460	1.0
83.05030	0.9
85.02959	4.6
87.00874	2.0
88.98817	9.2
89.02460	1.8
89.03986	1.6
93.03471	10.2
98.20654	1.0
99.00896	0.6
99.04533	12.2
100.04869	0.6
101.02445	2.8
101.04305	0.7
105.03499	3.9
109.02997	1.3
110.06129	0.5
111.04540	7.1
113.02467	7.5
119.03524	1.0
119.05113	0.7
125.02447	2.1
127.04057	0.9
133.02979	10.6
135.04524	1.1
137.02406	1.1
143.03528	10.6
146.08241	1.0
147.00945	2.1
148.01685	8.0
149.02521	4.1
155.03514	1.4
161.02457	0.6
161.04547	1.4
163.04022	1.1
173.04593	5.8
176.01144	1.7
177.01952	62.4
178.02328	3.3
178.05174	1.7
179.05591	0.8
191.05630	26.7
192.06018	1.1
204.03061	1.2
210.87567	0.5
215.09271	0.7
221.00920	100.0
222.01266	6.6
222.04124	1.0
233.10295	0.6
251.11362	1.6
263.01959	5.9
277.12253	1.1
316.84604	0.6
335.17310	2.8
349.05811	2.3
377.05164	11.1
378.05353	1.6
395.06210	66.7
396.06424	8.0
407.01907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76318	0.2
59.01387	1.6
61.98835	100.0
68.53790	0.2
71.01395	0.6
78.95921	0.9
82.58007	0.2
85.02982	0.3
87.00938	0.2
93.03499	0.5
98.20663	0.5
101.02464	0.3
109.02986	0.4
111.04479	0.2
118.67839	0.2
122.45902	0.2
130.72679	0.2
135.04597	0.3
137.02498	0.3
160.23244	0.3
161.02589	0.2
167.06242	0.2
173.04616	0.6
191.05701	0.5
213.06721	0.3
229.30888	0.3
233.11925	0.3
299.06735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19324	0.7
59.01386	10.2
61.68956	0.7
61.98848	4.3
62.96935	0.6
69.03455	4.7
71.01398	1.1
71.70373	1.4
77.89334	0.8
78.32952	0.7
80.05067	100.0
81.03435	0.7
81.05387	3.8
98.02493	11.1
99.92595	3.9
100.92613	2.2
110.06090	0.8
112.04058	0.8
116.05065	1.7
116.92861	1.1
117.92895	0.8
142.06615	2.0
153.12874	2.4
157.07678	0.8
159.23701	0.7
171.13911	1.2
179.14297	0.9
181.16019	1.8
183.05627	1.1
220.14717	1.2
221.15433	2.9
234.18633	70.2
235.18979	6.9
236.10571	2.5
241.09825	13.1
248.16490	1.1
252.16089	5.6
264.19675	98.8
265.19998	9.8
276.23383	1.1
350.23370	29.6
351.23965	5.1
377.22559	3.4
394.22382	43.6
395.23337	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01384	3.6
59.02507	2.9
61.08100	1.1
61.98833	13.3
65.10680	1.0
66.03484	1.1
68.01418	3.8
70.02985	9.3
71.70443	1.0
76.49139	1.1
82.02992	3.7
94.03046	1.4
95.02525	15.8
96.00919	2.4
97.04089	17.2
98.02524	1.1
99.01978	2.3
102.58176	1.0
105.95765	1.3
107.03772	2.4
108.04581	13.7
109.04104	2.5
113.03564	1.8
123.02034	1.4
123.05669	3.0
125.03570	1.7
125.07276	2.2
134.03648	1.3
140.04681	3.8
181.15974	3.9
191.05487	1.3
197.19122	1.7
209.15573	1.7
222.18654	2.9
223.20747	1.0
224.20206	38.2
225.20535	4.0
236.20222	1.8
237.56647	1.1
238.21851	2.4
248.20172	3.2
250.21774	4.2
262.21796	1.2
272.20236	1.4
279.24374	2.5
280.22809	1.4
289.22925	2.5
290.21259	18.7
291.21729	2.4
307.23935	46.1
308.24127	6.2
309.16910	1.7
310.62000	1.0
315.20825	2.1
332.23444	2.9
333.21732	7.4
350.24506	7.0
351.22891	2.4
394.23499	100.0
395.23868	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03442	1.3
58.00606	0.4
59.01382	100.0
60.01709	1.4
61.55327	0.2
61.98842	1.2
69.39219	1.0
69.39646	1.6
69.88824	0.2
71.01385	10.0
72.99305	0.6
73.02950	2.5
74.99123	0.2
83.01386	1.7
84.22304	0.2
85.02962	3.6
87.00867	0.5
89.02460	6.4
93.03483	0.9
95.01406	0.5
97.02979	0.4
98.19919	0.4
99.00906	1.0
99.04544	0.6
101.01788	0.4
101.02457	8.6
109.02970	0.4
109.65005	0.3
113.02467	4.4
118.98090	0.7
119.03509	2.4
119.05080	0.9
120.99695	0.5
121.02906	0.3
125.02478	0.4
134.03677	0.2
135.04533	0.8
137.02449	0.2
141.81297	0.2
143.03551	0.8
149.04712	0.3
151.00356	1.1
159.03014	0.6
161.02588	0.3
161.04585	7.2
162.04974	0.3
163.04074	0.3
171.13857	0.3
173.04579	1.0
179.05621	1.6
191.05577	1.6
192.05893	0.3
213.15012	2.1
214.15306	0.3
231.03004	0.6
249.13274	0.3
271.02472	0.2
271.06107	1.3
276.04703	0.5
276.54813	0.3
333.19205	9.6
334.19553	0.9
372.23456	0.2
375.20123	1.0
377.18149	0.3
393.21313	24.3
394.21616	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03409	0.5
55.01875	1.6
57.03449	100.0
58.00607	0.6
58.03786	2.2
58.83150	0.4
58.96743	0.5
59.01381	80.8
60.01743	1.0
60.99699	0.4
61.98837	3.4
71.01390	14.2
72.99326	0.5
73.02953	7.1
78.86543	0.5
81.03470	1.9
83.01398	4.5
85.02962	9.2
87.00877	1.3
89.02469	3.3
93.03488	2.7
95.01409	1.0
99.00899	2.9
99.04535	74.4
100.04869	2.5
101.02460	33.6
102.02802	0.7
109.03010	0.9
109.48503	0.5
111.04554	0.7
113.02471	6.8
119.03534	0.6
119.05061	0.7
125.02468	19.5
126.02844	0.9
131.68524	0.5
135.04533	1.3
143.03522	2.1
145.08722	1.8
156.90211	0.5
159.03036	1.2
161.02455	0.6
161.04601	5.6
169.08630	0.6
173.04591	3.0
191.05650	4.2
192.05876	0.7
202.52585	0.6
229.26810	0.7
249.13443	29.0
250.13777	2.8
291.14410	2.5
300.02621	0.5
331.17593	1.5
393.12744	0.8
393.17526	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	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00059	0.6
55.01879	1.3
56.89135	0.8
57.03451	83.1
58.00589	0.6
58.03794	2.0
59.01381	100.0
60.01715	1.0
61.98818	1.3
65.00338	1.1
68.01388	0.7
71.01392	17.0
71.70296	0.8
73.02962	7.1
81.03470	1.2
83.01387	4.4
85.02497	0.9
85.02961	8.2
87.00865	1.4
89.02456	4.6
93.03485	1.2
95.01405	1.0
99.00886	2.9
99.04536	60.7
100.04861	1.9
101.02460	32.1
106.96331	0.7
107.01413	1.3
107.51154	0.6
113.02467	7.3
118.70210	0.7
119.03481	1.8
119.05019	2.7
120.99622	1.9
124.18490	0.6
125.02470	16.7
135.04521	0.9
143.03436	2.3
149.14003	0.6
151.00356	3.0
159.02985	1.7
161.02419	1.0
161.04587	6.1
173.04460	1.0
174.01299	2.5
179.05577	0.7
188.01031	2.7
188.51300	1.2
188.58698	0.7
191.05641	2.9
202.51326	4.5
203.01434	1.8
213.15034	3.0
231.02756	0.7
249.13437	22.5
250.13507	1.4
271.06015	5.6
276.04608	7.1
276.54449	2.3
277.04507	0.7
291.14185	1.8
300.02689	0.7
331.17145	1.2
333.18759	2.7
378.10040	0.7
393.21512	16.6
394.21390	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
57.03451	92.1
58.00593	0.9
58.03787	1.1
59.01382	100.0
60.01722	1.6
61.98837	6.4
70.73494	2.6
71.01391	17.9
71.43623	0.6
72.99308	1.0
73.02953	6.5
76.26111	0.6
81.03491	0.9
83.01398	4.1
85.02963	9.7
87.00880	1.9
89.02459	6.8
93.03464	1.0
95.01382	1.3
97.02972	0.8
99.00884	2.4
99.04534	72.2
100.04878	1.2
101.02462	36.5
102.02798	1.6
107.80085	0.7
113.02477	7.4
118.98104	1.4
119.03494	2.1
124.43860	0.7
125.02470	20.8
126.02805	0.8
127.45126	0.7
135.04526	1.2
143.03572	3.3
159.02997	1.4
161.04585	7.3
173.04482	1.6
174.01535	0.9
179.05585	0.9
188.01097	1.2
191.05678	1.4
203.01576	0.8
205.03403	0.8
213.14952	5.1
249.13426	28.6
250.13654	2.2
276.04471	0.8
291.14368	2.6
331.17548	1.2
333.19061	1.6
355.03864	0.7
393.17203	5.0
393.21674	17.4
394.21295	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	392.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28149	0.3
57.03459	0.4
59.01384	2.8
61.98834	100.0
62.80738	0.3
70.15332	0.5
70.15723	0.8
71.01400	0.6
78.95940	0.4
80.91152	0.3
81.03507	0.3
85.02973	0.8
87.00903	0.4
88.98808	0.3
89.02455	0.7
93.03497	0.9
96.96985	0.4
101.02467	0.5
111.04561	0.4
111.58878	0.3
122.52094	0.3
127.04113	0.3
133.03000	0.3
134.03760	0.7
135.04584	1.4
136.04895	1.0
147.04544	1.1
149.21579	0.3
156.14084	0.3
161.02522	0.4
162.95932	0.3
170.97633	0.4
173.04597	1.7
174.05609	0.5
179.03490	0.8
180.03865	0.5
191.05650	3.2
192.06033	0.7
196.95630	0.4
200.03557	0.7
214.96652	0.3
216.99132	0.3
217.96466	0.4
217.99515	0.8
218.04475	1.8
218.99133	0.4
219.97714	0.7
263.96759	0.9
311.04562	0.3
378.02817	0.8
392.01093	0.9
392.04855	1.8
392.09991	1.1
392.15881	0.7
393.05023	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	392.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
61.98836	100.0
62.98528	0.2
69.78941	0.4
69.79365	0.8
71.01411	0.3
72.65280	0.2
77.15041	0.2
78.88892	0.2
96.28787	0.2
101.02447	0.2
110.02265	0.2
111.04565	0.2
123.04534	1.0
125.02502	0.4
135.04568	2.1
136.04880	1.5
137.02496	0.2
160.67409	0.2
167.03525	4.8
168.03918	0.4
173.04594	0.3
179.03526	0.3
180.03896	0.7
190.29727	0.2
191.04137	0.2
191.05646	0.9
192.06001	0.3
227.25949	0.2
288.74704	0.2
312.02512	0.2
319.79428	0.2
329.08978	1.0
354.09180	0.9
392.07617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59403	0.3
59.01379	4.1
61.98835	100.0
65.83220	0.3
70.16159	1.1
89.02440	0.4
98.19906	0.3
111.53076	0.3
129.69267	0.3
148.04219	0.4
195.53380	0.3
222.27357	0.3
267.92328	0.3
294.08438	0.3
393.19440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86936	0.3
59.01382	5.1
61.98835	100.0
62.78252	0.3
67.01905	0.6
69.03469	0.3
71.01397	1.4
73.02958	0.6
79.93970	7.1
81.03498	0.8
85.02952	3.4
85.31393	0.3
86.03317	0.4
87.00918	1.0
89.64895	0.4
93.03475	3.9
94.03828	1.1
95.05051	0.4
98.20638	0.9
99.04515	0.4
101.02468	0.5
104.06097	0.3
104.15948	0.3
109.02991	0.8
110.14780	0.3
111.04548	0.6
112.04878	0.5
119.05025	0.8
120.99731	0.4
123.04551	6.8
125.02497	1.2
127.04058	0.7
128.04430	0.3
129.04979	0.3
129.44366	0.3
135.04558	2.7
136.04886	2.1
137.02489	0.9
147.04581	0.4
149.02519	0.4
151.00415	0.4
151.04077	0.5
161.02493	0.9
163.04033	0.5
167.03526	29.8
168.03896	1.4
173.04588	4.3
174.03560	0.3
174.04881	1.8
178.99782	0.4
179.03505	0.5
180.03848	0.4
181.05128	1.1
191.03593	8.5
191.05678	29.7
192.05978	20.8
193.06093	3.8
194.06361	0.6
209.04604	2.3
220.69592	0.3
221.04549	0.6
274.45871	0.3
282.34869	0.4
284.09561	0.4
296.06512	0.6
302.14355	0.4
303.81836	0.3
305.78900	0.4
329.08777	17.1
330.09326	1.4
332.10162	0.5
344.12372	0.6
350.11096	1.3
354.09161	11.3
355.09509	1.2
356.09616	0.7
392.06714	4.3
392.12375	1.3
393.07178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63444	0.2
52.80112	0.2
55.01867	0.5
57.03450	3.4
58.00600	0.8
59.01382	100.0
60.01720	1.6
61.98840	3.6
63.96241	0.4
69.03465	0.7
71.01387	16.7
71.71178	0.3
72.01707	0.4
72.99326	1.4
73.02539	0.4
73.02951	7.3
73.03339	0.4
79.93984	0.3
81.03485	0.2
81.07137	0.3
83.01403	2.7
83.05032	0.3
85.02957	4.5
85.03440	0.3
87.00882	1.2
87.04539	0.7
89.02458	11.3
90.02840	0.4
93.03477	1.9
95.01388	1.2
96.22777	0.2
97.02987	0.4
99.00909	0.7
99.04529	2.4
101.02460	13.5
102.02810	0.5
102.98626	0.7
108.02235	0.2
109.02942	0.6
111.04564	0.6
113.02472	6.9
113.03247	0.5
114.02798	0.2
117.97330	0.3
118.29664	0.2
118.98067	0.3
119.03524	4.7
120.99696	0.4
123.04554	0.3
125.02468	1.3
128.38992	0.2
131.03528	0.7
133.03015	0.3
135.04578	1.0
135.98386	1.5
137.02472	0.6
139.11362	0.2
143.02591	0.2
143.03491	1.2
146.08270	0.3
149.04607	0.6
155.03554	0.4
159.03127	0.3
159.04533	0.3
161.04579	5.7
161.05852	0.4
166.98143	0.3
167.10818	0.3
173.04559	2.2
179.05676	1.9
185.11971	0.6
187.13429	5.0
187.14978	0.4
188.13770	0.2
191.05629	6.9
209.03531	0.7
211.09969	0.3
227.85007	0.2
250.40547	0.2
271.86041	0.2
282.06509	0.3
301.03485	0.3
304.06720	0.5
331.17642	6.2
332.18036	0.5
349.18701	11.3
350.19229	1.2
353.09003	0.7
391.06198	0.3
391.19623	2.9
392.20358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03451	17.1
58.03782	0.5
59.01382	100.0
60.01724	1.3
60.03351	0.3
61.98840	1.5
63.96235	0.6
65.00329	2.3
71.01385	7.3
71.01754	0.4
72.99324	0.8
73.02957	1.9
75.99586	0.3
77.07589	0.3
83.01401	2.1
85.02959	2.4
89.02457	3.4
89.76924	0.3
93.03465	2.0
95.01436	0.4
99.00916	0.7
99.04535	15.4
101.02458	8.2
102.98628	0.5
107.01410	3.1
111.00909	0.3
111.04504	0.5
113.02461	3.2
117.97329	0.5
119.03518	1.6
119.05035	3.9
121.02969	0.8
123.04612	0.5
125.02469	5.9
135.04572	0.8
135.98395	2.8
137.02533	0.9
143.03555	0.8
143.05086	1.0
145.02963	3.0
146.03316	0.4
151.00397	9.5
151.01546	0.6
152.00760	0.4
161.04616	3.9
161.05960	0.6
173.04579	2.0
179.03566	0.4
179.05640	0.9
185.06122	2.6
191.05629	2.1
229.05066	28.1
230.05383	2.8
247.11937	1.7
271.06073	7.6
289.12979	0.7
304.06516	0.6
331.17630	7.0
332.18112	0.6
353.08871	0.4
378.43448	0.3
391.02289	0.4
391.10440	1.6
391.19745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3221
Annotation	(4S*,6S*)-Dihydroxy-6-(14'Z-nonadecenyl)-2-cyclohexenone
Peak:m/z	Relative Intensity
57.03433	0.6
61.98830	0.6
67.01898	3.5
68.01282	0.4
69.03461	10.5
70.38116	1.5
74.10523	0.3
95.01424	2.0
95.01909	0.4
108.02162	0.4
109.02961	2.0
119.04971	0.4
137.02463	0.4
147.04514	0.5
153.12917	1.9
155.14445	5.3
156.14793	0.5
167.14429	1.9
169.16020	4.6
170.16245	0.4
171.13890	1.5
177.16458	0.7
183.17537	0.3
185.15491	1.4
191.18089	0.5
195.17546	8.6
196.17896	0.9
205.15952	0.6
209.19110	10.6
210.19379	0.7
217.44875	0.3
219.17647	0.6
221.15483	3.1
222.15776	0.6
223.17070	7.1
224.17418	0.5
227.29001	0.4
235.17049	3.6
237.18616	7.3
237.89772	0.4
238.18893	1.0
295.30170	1.2
307.42294	0.4
331.70380	0.4
373.31134	2.0
391.32196	100.0
392.32547	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	391.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03452	70.6
58.03794	1.6
59.01382	100.0
60.01725	1.1
61.98836	3.1
63.96259	0.6
65.00331	1.8
68.99600	0.4
71.01389	16.3
71.53624	0.4
71.71336	0.6
72.01737	0.4
72.39066	0.4
72.99323	1.1
73.02962	3.9
73.03349	0.5
74.99105	0.4
75.00861	0.7
81.03490	1.6
81.71188	0.3
83.01382	3.4
85.02962	7.3
87.00887	1.3
88.98855	0.5
89.02460	6.5
93.03460	2.7
95.01398	1.3
97.02965	0.6
99.00880	1.9
99.04536	57.7
100.04889	2.1
101.02460	24.6
102.02831	0.5
103.06633	0.3
107.01413	2.3
109.03023	0.6
111.04517	0.7
113.02475	7.4
117.97327	0.5
119.03525	2.2
119.05052	2.7
121.02982	1.3
125.02468	16.7
126.02800	0.6
133.02875	0.5
135.04576	1.1
135.98386	1.8
137.02449	0.5
143.03510	1.9
143.05075	0.8
145.02969	2.9
151.00392	7.0
152.00606	0.4
159.03003	1.3
161.02542	0.6
161.04599	9.5
161.06027	1.1
163.03951	0.7
173.04610	2.0
179.05650	1.0
185.06085	2.2
191.05652	4.8
207.06581	0.6
209.03380	0.7
225.05582	0.5
229.05063	24.0
230.05467	2.3
247.11867	17.1
248.12173	1.3
253.04984	0.4
257.06778	0.4
271.05957	4.5
271.08435	1.5
283.06949	0.8
289.12817	2.8
304.06046	0.9
329.16055	1.5
331.17496	2.8
391.11432	1.3
391.16022	3.7
391.20096	0.6
392.16220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.5
57.03452	19.2
58.00614	0.4
59.01382	100.0
60.01708	1.4
61.98833	0.8
67.01920	0.3
69.47610	1.4
69.48044	1.3
71.01386	7.7
72.45460	0.3
72.99334	0.3
73.02954	1.8
79.76031	0.2
83.01409	0.9
85.02955	2.5
87.00845	0.6
89.02457	6.8
91.25935	0.3
93.03458	0.4
95.01408	0.3
99.00892	0.4
99.04533	13.5
100.04883	0.4
101.02460	9.1
101.85958	0.3
113.02477	3.6
119.03515	3.2
123.04556	0.4
125.02462	3.7
131.03523	0.5
135.04576	0.3
143.03540	1.2
149.04637	0.4
154.06264	0.6
161.04572	2.8
173.04623	1.0
179.03439	0.4
179.05690	2.2
191.05635	1.1
200.82973	0.3
247.11882	3.2
313.45569	0.3
331.17664	3.2
391.19870	0.7
392.19336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69922	0.4
55.01896	0.8
57.03450	79.0
58.00592	0.5
58.03787	1.7
59.01382	100.0
60.01721	1.2
61.98837	3.3
63.02380	0.4
63.37998	0.5
65.00333	2.2
69.03489	0.5
69.50217	3.5
69.50627	1.1
70.20594	0.4
71.01389	17.9
72.99322	1.1
73.02955	4.8
81.03470	1.6
82.95871	0.5
83.01395	3.3
83.05033	0.4
83.12425	0.5
85.02962	6.4
87.00880	1.4
89.02464	6.0
93.03475	2.6
93.05272	0.5
95.01378	1.0
96.74855	0.5
99.00905	2.2
99.04536	61.3
100.04857	1.8
101.02460	23.9
107.01416	2.4
109.02951	0.9
111.04524	1.1
113.02477	8.1
119.03506	2.0
119.05056	2.8
121.02988	0.9
125.02467	19.4
126.02775	0.5
135.04544	0.8
135.98354	1.6
137.02509	0.7
143.03462	2.2
143.04980	0.7
145.02942	1.9
147.04527	0.6
151.00389	6.8
155.03493	0.7
159.02992	1.3
161.04599	8.5
161.05930	0.7
161.36444	0.5
173.04564	2.1
176.39128	0.4
179.05597	1.6
184.01433	0.5
185.06061	1.9
187.04082	0.5
191.05615	6.0
200.00473	0.5
209.03590	0.5
218.78659	0.4
227.03539	0.6
229.05057	26.0
230.05573	2.2
247.11880	16.9
247.14394	0.4
248.12138	1.2
271.05997	5.0
271.08438	1.1
289.12921	2.8
305.06662	0.5
329.16013	1.1
331.17557	2.4
391.11664	1.0
391.15903	5.0
391.20068	0.9
392.16388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	11.7
58.07079	2.7
59.01378	27.1
61.98825	18.2
67.01909	3.4
68.99809	8.9
69.03470	3.8
70.27753	5.0
70.28103	13.8
71.01402	9.3
72.99310	4.3
73.02954	24.4
75.00874	7.3
78.52728	3.1
83.01413	5.8
85.02956	37.6
87.00879	38.1
89.02455	7.0
99.00889	4.4
101.02445	12.4
111.00883	4.6
113.02473	30.5
115.00374	8.8
121.02993	3.5
125.02484	4.6
129.01970	8.9
135.03014	6.7
147.02998	10.1
147.31090	2.9
153.20555	3.1
155.14499	3.1
169.16017	18.8
171.13916	35.3
173.04568	3.9
181.16043	4.8
185.15492	3.3
191.01988	5.5
191.05627	4.5
192.07796	9.0
195.13927	16.4
197.15488	100.0
198.15828	7.3
209.15526	7.7
221.15462	3.4
225.14954	5.4
227.16534	38.7
237.15022	15.0
239.16541	22.2
240.16817	4.2
249.15015	3.8
255.15935	28.6
267.15991	26.6
285.17007	12.7
327.17984	5.4
345.19092	11.4
346.21259	4.8
389.19571	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	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14911	0.3
52.27254	0.3
59.01380	7.6
60.01699	0.4
61.98833	100.0
69.92949	2.1
71.01411	0.4
71.49151	0.3
93.03490	0.3
96.96060	0.3
98.19946	0.5
115.90914	0.3
131.81975	0.4
153.01936	0.4
167.10808	1.3
168.11140	1.3
220.26082	0.3
376.03214	0.3
390.09882	1.2
390.19455	0.4
391.21628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53554	0.6
57.03449	100.0
58.00599	1.2
58.03782	1.8
59.01381	91.2
60.01705	0.7
71.01388	20.7
71.18527	1.3
72.29357	0.5
72.93053	0.5
72.99302	0.7
73.02949	8.9
81.03471	1.2
83.01408	3.2
85.02969	4.0
87.00893	0.8
89.02454	20.3
95.01394	1.0
97.02959	0.6
99.04535	71.2
100.04885	1.9
101.02459	31.5
113.02465	9.1
119.03529	8.3
123.04539	3.1
125.02474	20.8
125.03196	0.4
125.03397	0.7
126.02787	1.0
131.03482	1.1
141.05620	1.2
143.03491	3.3
145.02939	0.8
149.04584	2.6
153.05577	0.7
161.04579	5.5
179.05595	5.5
185.37207	0.6
187.07312	0.5
191.05580	0.7
221.06738	0.8
247.11867	7.1
271.06042	2.2
289.12903	1.6
329.15833	0.8
331.17490	0.8
391.11160	0.8
391.16019	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.46305	0.3
60.01700	1.4
61.98553	0.3
61.98827	1.5
69.49239	2.5
71.01394	1.0
73.02997	0.2
82.24757	0.2
84.87988	0.3
85.02974	0.8
89.02461	0.7
99.04562	0.4
101.02462	1.6
113.02454	1.7
119.03535	0.8
124.69415	0.3
143.03494	0.3
161.04597	1.3
167.10799	42.5
168.11131	2.6
179.05659	0.5
191.05658	0.5
191.10828	0.8
209.11803	0.5
213.01871	0.5
221.06807	0.3
221.11832	0.4
329.16147	0.8
390.09756	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63623	0.7
52.48426	0.9
55.01868	1.0
57.03452	11.0
59.01384	16.0
61.98846	5.7
63.91932	1.1
65.79755	0.9
67.01896	1.3
68.99828	5.6
69.03465	4.2
69.96630	1.5
69.96936	5.2
71.01392	10.4
72.99310	2.1
73.02956	22.1
75.00875	6.8
81.03471	1.4
83.01403	5.0
83.05012	1.1
84.02181	1.4
85.02961	40.1
86.03273	1.0
87.00890	35.7
89.02475	4.1
95.01373	2.2
97.02966	1.7
98.20695	1.1
99.00900	3.1
99.04508	1.1
101.02464	8.8
105.12794	0.8
108.02178	2.1
111.00887	2.8
111.04551	1.1
113.02468	25.4
114.02785	1.0
115.00407	7.4
119.03378	1.0
123.00887	1.1
125.02465	4.6
127.00368	1.0
129.01974	9.0
135.03036	9.3
135.04578	1.2
147.03000	6.3
153.12837	1.8
155.03543	1.3
155.14442	2.6
159.38750	0.8
169.16003	13.8
171.13925	30.3
172.14323	1.1
173.04552	3.8
175.35277	1.1
179.14476	1.9
181.16019	4.1
185.15471	2.9
191.02002	2.1
191.05595	1.9
193.16013	2.0
194.10481	0.8
195.13930	18.3
195.17558	5.6
196.14323	1.9
197.15488	100.0
198.15839	6.1
198.54404	0.9
209.15524	7.7
210.32054	1.0
211.17007	2.7
221.05319	0.8
221.15419	2.9
223.13347	2.1
223.17064	2.9
225.14999	4.8
227.16537	28.1
228.16875	2.6
237.14970	14.9
239.16545	21.0
240.16852	2.2
249.04236	1.6
249.14911	3.2
251.16495	1.4
255.16014	25.8
256.16315	3.0
267.15985	25.6
268.16302	2.1
281.17584	1.8
285.17038	9.6
299.18579	1.0
327.18106	11.2
345.19180	10.5
346.19446	1.1
389.19418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95614	0.2
51.22760	0.2
57.03450	0.3
59.01374	1.4
61.98835	100.0
71.01389	0.8
71.70741	0.3
73.09081	0.2
76.10970	0.2
85.02974	0.5
88.98846	0.3
89.02459	0.8
91.05544	0.3
93.03481	1.3
95.01406	0.2
96.96952	0.4
101.02456	0.3
102.98626	0.5
107.05042	1.5
109.02934	0.3
111.04552	1.2
117.03474	0.2
123.04504	0.3
127.04102	0.3
133.02995	0.4
134.03740	0.8
135.04546	34.4
137.02493	0.4
144.35283	0.2
145.02983	0.4
153.05652	0.2
155.03510	0.8
161.02502	0.6
163.04015	0.3
167.03535	0.3
173.04590	3.5
179.03519	10.3
191.05638	7.5
225.00453	0.2
243.06625	0.6
244.06856	0.4
353.08804	10.3
357.58099	0.4
358.08160	0.3
389.06354	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	388.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.8
60.75555	0.4
60.99304	1.5
61.98833	100.0
64.81337	0.4
70.14721	1.6
71.01405	1.3
75.90429	0.3
78.95906	0.4
85.03024	0.4
87.00893	0.4
88.98819	12.1
89.02439	1.0
93.03479	1.4
101.02473	0.5
107.05036	0.5
109.03028	0.8
117.97324	0.7
119.05070	0.6
120.05407	0.8
122.02340	0.4
128.03529	0.6
135.04544	4.7
137.02487	1.6
153.02051	0.5
161.02534	0.5
161.04628	0.7
163.04004	0.4
167.07185	0.6
173.04524	2.0
179.03514	2.7
191.05621	9.6
193.05156	1.3
194.05890	1.5
196.52281	0.4
209.08194	2.9
226.06458	1.5
285.65186	0.4
353.08893	1.6
388.17422	0.5
393.32486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79021	0.4
59.01380	3.4
61.98833	100.0
70.63579	1.0
70.63966	0.9
100.48516	0.4
100.61428	0.4
141.25731	0.5
209.04681	0.5
218.70105	0.4
245.70090	0.6
275.53888	0.5
293.14029	0.7
325.16614	0.7
350.75894	0.4
352.96890	0.5
357.43655	0.4
388.21936	0.6
410.70285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.188
Annotation	Cilazaprilat
Peak:m/z	Relative Intensity
59.01381	15.2
61.98829	2.4
65.99870	0.4
67.03017	21.9
71.01385	0.8
78.95901	0.7
81.02216	1.1
82.02987	5.6
82.31964	0.3
89.85082	0.3
92.01445	1.0
93.04589	7.0
94.03002	1.4
95.01406	0.5
96.00922	0.5
107.03815	0.3
109.01718	2.6
110.02499	7.4
110.99112	0.6
113.02396	0.3
118.04138	0.5
120.05694	95.3
121.03009	0.4
121.05451	0.4
121.06061	3.6
122.02501	1.5
123.03284	1.2
124.00434	1.3
125.01183	0.5
126.40467	0.3
136.04092	0.7
137.04858	4.8
146.07266	1.5
154.98123	0.6
162.06731	0.6
165.04373	0.7
167.10806	7.6
167.98814	2.2
174.03143	0.4
189.05293	0.4
190.06238	7.6
195.13896	1.7
199.29590	0.4
223.13377	1.1
229.30231	0.6
235.15730	1.7
236.16585	2.4
246.14981	0.7
248.16594	2.4
250.14485	7.1
259.04297	6.8
263.15155	0.9
264.16043	100.0
265.16388	9.8
276.16034	8.2
277.16437	0.5
300.20871	2.1
316.20242	1.6
323.96512	0.4
326.18616	1.6
344.19803	69.0
345.20117	8.0
346.23123	0.7
354.34091	0.4
383.56171	0.4
388.18796	35.1
389.19147	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	389.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86008	0.4
56.37014	0.4
59.01384	100.0
60.01712	1.0
60.99317	1.0
61.02724	0.4
61.98836	3.5
64.33990	0.4
67.91870	0.4
71.01385	3.7
71.69546	0.6
72.99330	1.1
73.02953	0.8
85.02952	3.0
87.00912	0.8
88.98828	4.6
89.02468	1.5
93.03474	2.1
96.96970	0.5
99.92619	0.5
101.02461	2.4
106.04312	0.6
107.05053	6.3
111.04532	0.5
113.02465	1.7
119.51243	0.5
123.04539	0.7
133.03018	1.1
135.04549	71.6
136.04912	3.4
137.02490	1.0
149.02451	0.5
151.04012	0.5
152.01147	0.9
159.03058	0.6
161.02448	1.5
161.04588	4.4
163.58736	0.5
165.02101	0.4
167.03508	0.9
167.07169	7.6
173.04601	2.5
179.03497	2.9
179.07056	0.5
191.05647	20.9
192.05925	1.2
197.85451	0.4
207.64644	0.5
209.08154	1.1
216.98155	0.5
225.86378	0.5
260.97174	1.0
261.95770	0.5
297.09814	4.1
323.07574	0.6
335.07742	0.6
353.08755	4.7
354.08987	1.1
374.83398	0.6
389.19394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.3
59.01378	6.3
61.98834	100.0
63.83402	1.0
69.03452	2.1
69.54118	1.1
70.16412	5.0
83.10276	1.0
87.79473	1.0
126.09224	1.6
143.22449	1.2
155.14404	2.5
172.93575	1.0
181.16019	2.6
209.15532	7.5
210.56245	1.0
211.17070	11.0
280.22815	60.5
281.23166	6.8
292.05362	1.1
324.21747	5.3
325.21909	1.3
372.11328	1.1
379.71484	1.2
387.21799	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.6
59.01380	70.3
61.98829	17.1
69.69865	16.4
71.01391	5.5
71.05022	6.3
73.02954	3.6
83.05035	2.4
85.02958	4.5
89.02464	4.2
98.20649	2.7
99.08147	6.6
101.02476	4.6
109.02931	4.0
109.57591	2.5
113.02486	2.3
119.72591	2.4
125.09723	3.7
129.09254	23.1
137.07657	2.5
147.04524	2.6
163.05267	2.4
165.05580	3.0
165.09251	11.3
167.01428	2.3
173.04573	2.8
207.06659	2.9
283.19153	15.7
301.20206	100.0
302.20544	8.7
343.21207	29.6
345.22876	6.3
387.13712	3.1
387.20914	3.3
387.27652	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	385.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.49559	0.5
60.01718	0.9
60.90694	0.6
61.98821	1.5
69.53953	1.1
69.54356	4.9
71.01383	0.8
80.91705	1.7
85.02959	5.7
93.98251	0.6
105.11221	0.6
113.02464	5.0
158.37448	0.6
162.03304	1.7
190.02744	9.2
191.03137	1.1
195.17548	1.5
220.32542	0.5
237.14882	0.6
239.16608	2.6
267.16153	1.7
303.16016	11.9
303.19366	0.7
304.16495	1.8
328.99521	0.6
385.20325	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94707	0.7
52.95114	0.6
55.44968	0.6
57.03495	0.6
59.01382	100.0
60.01722	1.9
61.98834	4.1
71.01386	4.2
71.05000	0.6
71.26470	1.1
71.26793	1.4
73.02925	0.8
74.70898	0.6
75.00890	0.9
77.84026	0.6
83.01408	0.9
85.02973	1.9
89.02471	1.9
101.02454	3.6
113.02483	2.8
120.04587	1.0
128.81038	0.7
151.00433	1.2
161.04585	2.3
165.09227	58.7
166.09604	3.2
171.54465	0.8
191.05724	0.8
283.19180	1.6
301.20218	5.5
343.21423	2.6
387.23239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1664
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03431	0.7
57.34325	0.4
59.01379	6.5
61.25216	0.3
61.98822	1.2
71.01389	3.9
71.71202	0.6
73.02956	4.5
85.02946	2.7
86.66259	0.4
89.02449	2.7
93.03455	0.7
95.01421	0.7
95.05051	2.0
97.37477	0.3
101.02450	2.6
107.05043	0.5
109.02944	0.4
109.06599	0.6
113.02477	3.7
116.92158	0.3
116.92853	2.0
119.03544	0.8
123.04523	0.5
125.02527	0.4
137.02507	0.5
154.80818	0.3
161.04575	1.3
161.09714	0.4
163.11308	4.8
164.11592	0.4
165.09216	0.8
173.04536	0.4
179.05684	0.5
180.05794	0.4
181.12372	24.4
182.12697	1.5
191.05696	0.4
195.13947	0.4
205.12265	0.6
207.10338	1.3
207.13982	0.4
223.13385	1.2
225.05586	6.6
225.11337	100.0
226.05879	0.4
226.11685	8.6
249.11340	3.2
255.10461	0.3
267.12265	2.4
282.63486	0.3
327.14676	1.6
387.16483	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	385.1871
Annotation	Junipeionoloside
Peak:m/z	Relative Intensity
55.01885	1.0
57.03433	1.0
59.01388	3.1
61.98827	1.1
67.01893	2.2
68.99833	0.9
69.03458	6.2
69.51077	1.3
69.51504	1.5
71.01396	1.6
71.05027	0.4
72.99308	0.3
75.00889	1.5
80.02678	0.4
83.01404	3.6
85.02971	2.8
87.00896	0.4
89.02456	0.3
91.12034	0.4
93.03472	0.9
95.01403	1.0
95.05051	0.7
99.00873	1.5
108.02188	2.7
109.02983	0.4
110.03825	0.3
111.00909	6.0
111.04521	0.4
112.98832	2.8
113.02453	1.6
115.00403	0.6
121.02950	0.4
122.03764	0.8
124.01702	2.6
125.02479	0.7
127.00417	0.4
129.01971	0.5
131.08293	0.8
135.03017	3.8
136.01675	0.7
137.02443	0.9
138.03212	0.5
139.00385	1.9
142.99899	2.5
152.01170	2.5
167.14400	1.6
169.15936	0.8
173.00972	2.2
175.02496	0.7
189.16550	0.6
191.05769	0.5
193.16022	3.0
195.17570	15.8
196.17867	1.3
205.16063	0.8
207.17509	3.1
209.15443	0.7
209.19226	0.5
211.17027	4.9
219.17490	1.0
221.15428	0.5
223.17050	5.9
224.17444	0.6
231.17545	0.4
233.15532	0.6
235.17027	6.4
236.17375	0.4
239.16547	0.4
249.14938	4.8
249.18550	1.0
250.15457	0.8
251.16533	15.0
252.16891	1.4
253.18027	0.5
261.14847	0.4
261.18637	1.3
263.16507	4.6
264.16873	0.7
265.18195	0.5
267.16025	0.9
275.16751	0.4
279.16022	19.0
280.16336	2.2
281.17636	1.4
293.17532	0.9
307.15524	100.0
308.15851	11.4
313.66602	0.3
323.18521	0.7
323.45706	0.4
328.62122	0.3
339.18140	6.0
340.18472	0.9
367.17664	2.0
385.20166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92847	0.2
59.01387	0.9
60.59563	0.2
61.98834	100.0
62.98545	0.2
63.99770	0.2
69.42285	1.8
71.01394	0.3
75.48261	0.2
83.01374	0.2
85.02966	0.4
89.02447	0.2
91.79716	0.2
94.82879	0.2
98.20705	0.2
101.02450	0.2
128.10872	0.2
130.03593	0.2
130.08762	4.3
136.09863	0.2
164.42538	0.2
181.16035	0.2
195.42305	0.2
198.00513	0.2
263.12912	0.2
322.20212	2.4
323.20746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23200	0.4
55.01884	1.1
57.03458	0.7
59.01387	2.7
61.98832	1.7
67.01893	2.3
68.99812	0.9
69.03459	5.6
71.01405	2.1
71.70730	0.8
72.99309	0.7
75.00877	1.4
80.02647	0.5
80.20667	0.4
81.03458	0.6
83.01391	4.3
85.02961	2.8
87.00897	0.5
93.03474	0.7
95.01411	1.3
97.02961	0.5
99.00893	1.8
99.28585	0.4
104.02721	0.6
105.01963	0.5
108.02186	2.1
109.02959	0.7
111.00902	5.5
112.98830	2.6
113.02460	1.2
115.00395	0.6
122.03746	0.5
123.00868	0.5
124.01678	2.4
125.02448	1.1
131.08296	2.3
135.02994	3.9
136.01668	0.9
137.02496	0.7
139.00397	1.2
142.99915	2.5
150.64726	0.4
152.01178	2.0
162.05655	1.1
167.14398	1.3
169.15974	0.6
171.13867	0.7
173.00938	2.3
175.02487	0.5
180.00641	0.7
181.16057	0.4
185.15417	0.5
189.16588	1.1
193.16051	3.0
195.17551	14.5
196.17863	1.4
201.01900	0.7
205.16010	0.7
207.17490	3.1
209.19066	0.5
211.17006	3.6
212.17468	0.5
219.17540	0.8
221.15512	0.5
223.17046	5.5
224.17395	0.6
233.15428	0.7
235.17053	6.2
236.17509	0.6
239.16458	0.5
241.08765	0.5
249.14960	4.9
249.18680	1.0
250.15439	0.6
251.16530	12.8
252.16911	1.3
253.18102	0.9
261.18661	1.0
263.16547	4.6
265.14642	0.4
265.18115	0.7
267.16019	1.4
275.16608	0.7
279.16040	18.4
280.16257	2.2
281.17621	1.2
293.17603	1.1
307.15521	100.0
308.15845	10.8
326.15289	3.0
339.18124	6.0
340.18408	0.7
341.17618	0.6
353.03815	0.5
367.17752	2.0
385.19781	0.6
385.30609	0.5
386.19229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
55.01881	2.1
57.03450	3.6
58.00602	3.1
59.01381	57.9
60.01712	0.7
60.66125	0.4
69.03468	0.6
71.01388	69.0
71.70379	0.4
72.01724	1.7
72.99314	2.8
73.02955	12.7
74.08835	0.4
75.00883	0.7
81.03452	0.5
83.01398	4.9
83.05035	1.0
84.02186	0.7
85.02962	21.3
86.03318	0.5
87.00889	2.3
89.02455	34.4
89.73601	0.4
90.02776	0.5
93.03488	0.5
93.85474	0.3
95.01398	4.9
95.05037	1.6
97.02961	5.2
99.00900	5.5
101.02459	36.8
102.02795	0.8
105.07114	1.2
107.05058	0.9
108.05840	2.6
109.02952	0.8
109.06630	1.7
111.04549	1.3
111.08199	0.7
113.02470	27.0
113.06109	3.2
114.02789	0.8
115.04022	0.4
119.03521	11.6
121.06608	0.6
122.03731	1.8
123.08179	4.4
125.02466	1.5
125.06107	2.9
129.01953	0.9
131.03493	1.4
135.08203	1.1
136.05318	3.9
137.06158	1.7
138.06892	23.1
139.07701	9.3
140.07973	0.4
143.03526	3.4
147.08171	1.2
149.04597	0.7
149.06100	0.8
151.07671	22.7
152.04854	2.4
152.08458	45.8
153.09236	100.0
154.09572	5.1
159.03004	4.2
161.04584	19.8
161.09750	1.2
162.04895	1.0
163.11313	3.1
165.05714	0.3
165.09216	2.0
167.07181	1.6
168.78436	0.4
173.04549	0.7
175.07651	0.6
177.96204	0.4
179.05647	2.9
187.11333	0.8
189.09201	0.9
190.10033	1.2
190.27272	0.4
191.05551	0.9
205.03616	0.7
205.12349	31.9
206.12708	3.3
223.13399	19.4
224.13692	1.6
225.56859	0.4
229.12488	0.5
266.86304	0.3
300.02805	0.5
304.07031	1.0
385.18710	13.7
386.19104	1.4
403.67987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28352	1.1
57.03444	5.5
59.01384	16.5
61.98827	4.2
69.03458	1.0
71.01392	8.0
71.70307	1.2
72.99318	1.3
73.02956	3.2
81.03467	1.5
83.01383	4.3
83.05038	1.5
85.02970	6.5
87.00871	1.1
87.04547	1.1
89.02435	5.0
91.71250	1.0
93.03477	4.2
95.05042	3.0
97.02965	3.7
98.78413	1.2
99.04569	1.9
101.02452	4.2
109.02949	3.4
109.06641	1.0
111.04529	2.4
113.02488	6.7
113.08165	0.9
113.46033	1.2
119.03500	2.5
120.99714	1.0
121.02988	2.3
122.03764	2.2
123.04440	1.6
124.01613	1.2
125.01649	1.2
125.02489	18.1
125.06084	2.7
133.02980	1.1
133.10236	2.2
135.04521	3.7
135.10873	1.8
135.11819	14.8
136.12199	1.0
137.02475	29.8
138.02837	2.2
146.03694	4.8
150.03233	3.1
151.04045	2.2
159.04395	1.9
159.08168	2.8
159.11821	1.5
161.02484	2.3
161.09763	8.9
163.07718	1.4
164.01155	7.9
165.01971	20.9
167.03529	8.4
172.05223	1.2
173.04533	4.8
173.06087	4.3
174.03273	1.8
174.06868	1.5
175.03958	2.0
175.07645	8.5
175.11221	1.0
176.04901	2.2
177.01945	1.8
177.12846	1.3
179.03537	8.2
179.10800	100.0
180.11162	7.4
186.06973	1.1
187.07660	3.0
188.04750	1.4
189.09227	1.7
189.12708	1.4
190.02740	1.5
191.03972	1.2
191.05573	7.2
194.69186	1.2
200.04831	2.1
201.05521	1.3
201.09279	3.0
203.07135	3.1
203.10796	4.2
204.04420	1.2
205.08687	3.2
215.01773	1.2
216.07753	1.0
217.08684	5.7
221.11819	2.3
223.09776	83.5
224.10109	5.5
229.08717	8.4
239.06984	1.3
241.08759	1.3
247.09813	3.3
255.10313	1.2
265.10803	4.5
273.18375	1.0
281.11807	1.5
297.11441	1.8
323.09613	1.2
323.12799	7.4
336.03070	1.4
341.13916	2.4
343.21048	2.3
367.11963	16.7
368.12192	1.9
385.07584	1.6
385.13113	12.9
385.22354	3.1
386.13382	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	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02101	1.0
55.01880	0.9
57.03447	4.6
59.01384	18.7
61.98840	6.3
66.62003	0.9
67.01896	1.1
71.01396	13.2
71.69917	1.3
72.31965	0.9
72.99314	1.9
73.02950	3.1
81.03466	1.5
83.01389	2.6
83.05044	1.0
85.02955	7.6
87.00866	1.4
87.04528	1.3
89.02464	11.6
93.03468	2.2
95.01414	2.8
95.05048	1.9
97.02986	1.9
99.04564	1.3
101.02461	7.7
102.98622	1.9
107.05061	1.0
108.88190	0.9
109.02972	2.6
109.06647	1.5
111.04516	1.6
113.02473	14.9
119.03505	3.6
120.05831	1.7
121.03007	1.6
125.02486	9.2
125.06092	2.8
125.73483	0.8
133.10219	2.9
135.04526	3.3
135.11818	16.1
135.32523	1.0
137.02464	14.1
139.04044	1.5
143.03528	1.1
146.03734	3.2
146.07391	1.6
149.06090	1.3
149.45859	1.0
151.07475	1.0
159.08199	1.7
159.11810	2.6
161.04610	1.4
161.09763	14.5
162.10072	1.4
164.01175	3.1
165.01958	11.3
165.46333	1.0
167.03586	6.6
171.68361	1.0
172.05249	1.0
173.04680	1.7
173.06029	2.4
174.03252	1.9
175.03932	1.5
175.07686	5.1
176.04755	1.1
177.12825	3.3
179.03543	4.3
179.10814	100.0
180.11098	7.4
186.06931	1.4
187.03946	1.2
187.13420	1.2
189.09338	1.0
190.02727	1.5
191.05609	3.8
193.12268	1.9
200.04703	0.9
201.05736	1.3
201.09248	2.2
203.07109	2.3
203.10838	5.6
204.11134	1.0
205.08684	2.6
217.08719	3.1
221.11771	5.3
223.09793	57.1
224.10257	4.4
224.28630	1.1
229.08742	4.7
230.08809	1.0
239.10834	1.1
247.09590	1.4
253.54266	0.9
255.10345	1.5
265.10883	5.8
281.11746	1.3
323.12970	5.8
340.09756	1.6
349.18701	2.2
367.11890	9.5
368.12152	3.4
385.13000	4.2
386.13376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
59.01382	4.1
61.98825	0.7
67.01889	0.7
71.01389	3.2
73.02917	0.4
78.95893	0.6
82.33231	0.4
83.01388	0.5
83.05074	0.5
85.02953	1.5
87.00886	1.3
88.38131	0.4
89.02457	1.6
93.03476	5.2
95.01375	0.4
97.06641	0.5
101.02445	1.6
109.02959	1.1
111.04544	1.2
113.02449	1.0
119.03493	0.9
121.02960	6.6
128.03531	0.8
133.03012	0.6
134.03703	0.6
135.04538	5.1
137.02481	2.0
137.35822	0.4
139.00378	0.3
143.04640	0.9
149.02467	42.9
150.02820	1.6
151.04022	1.2
152.01161	6.7
152.08430	0.4
153.01602	0.6
153.09218	0.9
155.03488	0.3
161.04538	0.5
163.04044	5.8
163.07645	0.5
164.04825	32.4
165.01952	1.6
165.05150	1.9
166.00990	0.4
166.02338	0.4
167.01836	0.4
167.03522	1.5
169.05092	3.0
173.04575	5.1
174.04921	0.4
175.00395	1.3
175.03925	0.4
179.03415	0.5
179.05679	0.8
179.07156	11.6
180.07465	1.0
190.02795	2.5
191.05615	5.2
192.06038	0.9
193.01437	17.3
194.01709	0.9
205.05093	4.2
205.12271	0.8
208.03786	37.9
209.04141	2.2
223.06133	100.0
224.06519	6.8
265.07217	0.8
265.14514	0.4
271.02527	0.5
272.08749	0.5
300.02573	0.8
301.03510	0.7
385.11493	6.3
385.19574	0.4
395.45847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02101	1.0
55.01880	0.9
57.03447	4.6
59.01384	18.7
61.98840	6.3
66.62003	0.9
67.01896	1.1
71.01396	13.2
71.69917	1.3
72.31965	0.9
72.99314	1.9
73.02950	3.1
81.03466	1.5
83.01389	2.6
83.05044	1.0
85.02955	7.6
87.00866	1.4
87.04528	1.3
89.02464	11.6
93.03468	2.2
95.01414	2.8
95.05048	1.9
97.02986	1.9
99.04564	1.3
101.02461	7.7
102.98622	1.9
107.05061	1.0
108.88190	0.9
109.02972	2.6
109.06647	1.5
111.04516	1.6
113.02473	14.9
119.03505	3.6
120.05831	1.7
121.03007	1.6
125.02486	9.2
125.06092	2.8
125.73483	0.8
133.10219	2.9
135.04526	3.3
135.11818	16.1
135.32523	1.0
137.02464	14.1
139.04044	1.5
143.03528	1.1
146.03734	3.2
146.07391	1.6
149.06090	1.3
149.45859	1.0
151.07475	1.0
159.08199	1.7
159.11810	2.6
161.04610	1.4
161.09763	14.5
162.10072	1.4
164.01175	3.1
165.01958	11.3
165.46333	1.0
167.03586	6.6
171.68361	1.0
172.05249	1.0
173.04680	1.7
173.06029	2.4
174.03252	1.9
175.03932	1.5
175.07686	5.1
176.04755	1.1
177.12825	3.3
179.03543	4.3
179.10814	100.0
180.11098	7.4
186.06931	1.4
187.03946	1.2
187.13420	1.2
189.09338	1.0
190.02727	1.5
191.05609	3.8
193.12268	1.9
200.04703	0.9
201.05736	1.3
201.09248	2.2
203.07109	2.3
203.10838	5.6
204.11134	1.0
205.08684	2.6
217.08719	3.1
221.11771	5.3
223.09793	57.1
224.10257	4.4
224.28630	1.1
229.08742	4.7
230.08809	1.0
239.10834	1.1
247.09590	1.4
253.54266	0.9
255.10345	1.5
265.10883	5.8
281.11746	1.3
323.12970	5.8
340.09756	1.6
349.18701	2.2
367.11890	9.5
368.12152	3.4
385.13000	4.2
386.13376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24396	0.5
59.01379	6.1
61.98829	4.5
65.06941	0.4
67.01900	0.7
69.50900	4.2
70.97630	0.4
71.01376	1.5
72.54946	0.4
72.99318	0.9
73.02983	0.5
78.95447	0.4
83.59846	0.5
85.02974	2.8
85.07224	0.5
87.00887	1.8
88.98830	1.0
89.02457	1.4
89.09379	0.4
93.03460	3.6
101.02465	0.8
109.02966	0.8
109.34198	0.4
111.04522	0.9
117.03471	0.5
119.05047	93.1
120.05378	3.9
121.02967	1.3
123.04529	0.8
133.02962	0.7
134.03740	1.0
135.04555	7.6
137.02466	1.1
139.04022	1.3
144.04562	0.7
149.02464	2.5
149.06036	0.5
151.04007	0.5
155.03510	0.7
161.02472	1.2
162.05597	0.5
163.04042	100.0
164.04372	6.6
167.03502	1.8
173.04576	6.5
174.04880	0.5
178.02699	0.5
179.03520	2.1
188.03584	1.3
191.05640	12.9
191.07370	1.0
192.06001	0.6
193.01501	2.6
205.12334	1.2
205.19312	0.5
211.02437	0.8
282.70316	0.4
325.09103	0.9
353.08774	1.9
385.07391	0.6
385.11481	2.2
385.19638	0.5
386.10794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
51.35838	0.3
55.97994	0.3
59.01380	2.3
60.09800	0.3
61.98848	0.6
62.26442	0.3
71.07894	0.7
71.08311	0.6
74.38230	0.3
75.62192	0.3
85.02966	0.6
93.03475	1.8
97.22545	0.3
98.20000	0.3
109.03010	0.9
111.04463	0.3
113.02412	0.4
121.02971	5.4
128.21225	0.3
134.03755	0.4
135.04532	3.2
137.02489	1.3
138.06923	0.3
140.06985	0.3
149.02467	41.6
150.02797	2.8
151.04074	0.5
152.01176	5.7
163.04027	6.4
163.07672	0.7
164.04817	31.5
165.01898	2.1
165.05106	2.0
167.03505	1.4
169.05078	3.1
173.04588	0.7
179.07158	11.4
180.04443	0.4
180.07472	0.7
184.81017	0.3
190.02769	0.6
191.05661	0.8
193.01430	18.1
194.01828	1.0
205.05070	0.9
208.03784	40.7
209.04085	3.0
223.06125	100.0
224.06493	6.8
265.07062	0.5
385.11261	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	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01382	19.9
61.37680	0.5
61.98842	3.2
64.36776	0.6
67.01902	1.2
69.80815	1.1
69.81216	3.5
71.01370	2.6
72.99310	1.5
75.00874	0.8
81.03458	1.2
83.05048	1.4
85.02953	3.3
87.00891	2.6
88.36478	0.5
93.03471	11.4
94.03822	0.6
95.01405	0.6
95.05034	0.9
104.31269	0.6
107.05077	0.8
108.02176	0.9
109.02956	1.6
111.04534	5.2
119.05049	2.4
121.02991	2.5
123.01044	0.7
123.04548	2.5
125.02428	0.8
127.04038	1.3
129.01994	0.9
133.02956	0.7
134.03775	7.3
135.04578	3.3
136.01683	45.4
137.02553	3.5
139.04030	2.5
149.02466	5.8
149.06128	1.8
150.03201	0.7
151.04027	100.0
152.01176	0.7
152.04381	5.1
155.03549	4.2
161.02446	0.8
163.04059	2.5
165.01935	1.3
167.03474	4.1
173.04576	38.8
174.04868	1.8
177.20760	0.5
179.03464	1.5
183.03148	0.5
191.05630	19.9
192.06021	0.6
193.01428	4.0
193.05026	1.3
211.02615	2.4
211.06133	86.1
212.06467	6.3
223.06190	0.7
233.06737	1.3
282.28162	0.6
306.48587	0.5
308.09430	0.6
352.07889	0.8
353.08536	0.9
385.07635	2.7
385.11862	6.1
386.11880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34238	0.2
54.68692	0.3
59.01377	0.8
68.49576	0.3
71.01391	0.5
73.02915	0.3
80.60110	0.2
81.03487	0.4
82.75141	0.2
83.05063	0.3
85.02964	7.1
87.00882	1.7
88.98805	0.5
93.03473	2.4
98.20777	0.4
109.02987	0.8
111.04522	0.6
117.10742	0.2
119.17912	0.2
127.04034	2.1
133.76370	0.2
141.94287	0.2
148.55652	0.3
171.03075	0.5
173.04562	0.8
191.05630	100.0
192.05983	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	383.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01662	2.7
57.03450	10.6
59.01372	4.6
61.98830	6.4
71.70577	4.4
84.02176	16.8
85.80717	2.6
132.68509	3.2
141.12820	3.5
153.12898	6.4
155.14476	15.7
167.14458	10.3
169.15988	11.6
171.13943	13.4
179.14354	4.1
183.13925	16.6
185.15517	6.8
197.15486	100.0
198.15794	5.9
293.28516	8.5
321.27994	75.4
322.28348	9.4
339.29053	6.8
383.21869	3.2
383.27539	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	383.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47459	3.0
53.28001	3.3
57.03448	10.3
59.01387	6.7
60.47183	3.0
61.98838	7.1
69.69392	3.5
69.99108	10.4
69.99501	7.0
84.02187	15.1
88.25948	3.7
153.12820	8.5
155.14406	19.3
167.14398	7.2
169.16029	10.1
171.13966	9.7
179.14394	4.5
183.13919	14.5
185.15494	6.7
197.15491	100.0
198.15900	10.2
267.40829	3.6
321.28015	69.5
322.28363	10.5
339.29053	5.0
383.18640	10.8
384.18988	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	384.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.6
61.63940	0.2
61.98834	100.0
63.38218	0.3
64.97859	0.2
66.96032	0.2
71.01390	3.1
71.03139	0.8
73.02950	0.5
83.01409	0.6
83.79182	0.2
85.02956	1.3
87.00883	0.4
89.02465	3.0
93.03487	0.7
95.01443	0.3
96.96031	0.3
99.00900	0.5
101.02458	2.3
109.02972	0.6
111.04559	0.3
112.15163	0.2
113.02477	1.6
119.03548	1.4
137.02490	0.6
161.04593	0.5
165.05650	0.3
173.04597	0.7
179.05652	0.5
187.11348	0.9
191.05637	1.3
204.11613	0.5
205.12329	1.3
233.11911	0.5
288.01999	0.3
295.15744	0.3
361.03162	0.3
385.19128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
57.03463	0.3
59.01381	0.4
61.98819	0.2
64.90553	0.1
66.03497	0.1
69.03462	5.6
70.02995	0.9
70.03802	0.1
70.16229	0.1
71.01392	0.5
71.05032	0.5
72.00929	0.1
78.95917	0.1
79.05652	0.1
80.02686	0.3
81.03463	0.2
81.37244	0.1
82.02993	0.7
82.06659	0.1
83.05029	0.4
84.04558	4.0
84.19737	0.1
85.02963	4.0
86.02480	0.1
92.05061	0.1
94.02993	0.2
95.05061	0.2
96.00948	0.5
96.04568	0.2
98.02493	100.0
99.00905	0.4
99.02199	0.3
99.02824	2.4
100.04063	1.2
100.83583	0.1
102.05631	0.6
107.03799	0.2
110.06135	0.1
112.04065	0.9
112.07702	1.0
114.05622	0.3
120.04570	0.2
122.02460	0.1
122.06136	1.7
123.00906	0.2
124.00432	0.2
125.01183	0.1
136.05244	0.1
138.05664	0.4
140.07202	2.7
151.00560	0.1
153.12915	1.3
165.04364	0.1
166.05133	1.5
167.05496	0.1
169.15919	0.1
171.01820	0.1
171.13905	0.2
178.16093	0.1
179.14445	1.7
180.14825	0.1
181.15999	1.7
182.16287	0.2
183.17445	0.1
184.06171	57.2
185.06522	2.8
195.13931	1.1
196.17097	0.1
197.15462	0.4
209.15405	0.2
220.17149	0.1
224.16585	2.5
225.14984	0.3
234.14977	0.9
235.13409	0.2
235.15547	0.1
236.16574	0.4
238.21533	0.1
252.16055	10.0
253.16475	0.8
266.21225	0.5
274.18143	0.2
276.19666	1.2
278.17694	0.3
292.19217	0.2
294.20761	0.4
310.19995	0.2
320.18558	1.0
321.19046	0.2
326.03186	0.1
338.19733	76.6
339.20081	9.6
382.18634	7.0
383.19086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.6
61.98844	0.6
66.03481	1.5
68.01420	4.3
70.02983	17.9
72.64533	0.5
83.05032	0.5
84.04550	0.7
88.71379	0.4
94.03033	0.5
94.23968	0.4
96.00937	1.7
100.04055	1.4
110.06123	0.5
112.04051	5.3
112.07701	5.7
114.79037	0.5
123.10935	0.4
131.14578	0.4
138.05649	2.1
156.06677	8.2
181.15985	1.3
183.17613	0.6
206.19112	1.6
207.17552	6.9
208.17879	0.6
213.56012	0.4
224.20149	1.8
225.18613	51.4
226.18948	4.5
229.32758	0.5
238.94669	0.5
239.71809	0.4
248.20128	0.5
250.18291	0.5
252.19693	100.0
253.20006	8.6
266.24881	0.7
278.21198	1.4
294.24408	34.8
295.24646	4.3
310.23740	0.7
320.22440	0.7
322.17368	1.1
329.79541	0.6
338.23395	27.6
339.23846	2.8
382.22571	7.3
383.22787	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00334	0.9
51.25372	0.5
56.32477	0.4
59.01378	1.2
60.21085	0.4
61.98832	0.6
65.99854	3.4
66.03477	1.7
66.32264	0.4
68.01423	3.5
68.99835	1.2
69.03461	1.9
70.02991	1.0
71.01397	0.6
71.08143	1.3
75.00891	0.5
81.02187	0.5
81.24938	0.5
82.02975	3.2
83.00113	0.5
84.00925	1.8
85.67792	0.5
88.73320	0.5
88.98827	3.2
90.78035	0.5
94.02983	1.1
96.00941	3.2
96.04578	2.1
96.99351	0.8
98.02536	0.6
99.00862	0.5
112.00444	4.0
112.04070	1.2
122.02493	1.4
124.00438	33.9
124.04060	3.0
125.00741	0.8
126.39543	0.5
140.03574	29.4
141.03926	1.1
150.01973	0.5
168.03062	23.7
169.03290	1.1
169.15991	1.7
181.16020	0.5
182.15599	0.8
184.02530	2.5
196.17111	1.3
197.15457	1.4
200.05672	1.6
220.17075	9.9
221.17343	0.9
222.14911	1.4
224.16537	2.9
228.05151	5.4
232.17014	1.0
236.16591	1.9
238.18195	0.6
248.16565	0.9
250.18266	0.7
254.22575	0.5
260.16583	2.0
261.16824	0.5
276.16061	14.3
276.23270	1.1
277.16379	1.0
278.17688	3.7
278.20685	0.8
294.17096	4.2
310.20007	0.8
322.16660	12.7
323.16919	1.0
354.19009	1.3
382.18723	100.0
383.18991	14.0
383.23816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45419	0.2
59.01384	0.3
61.98833	100.0
62.98522	0.2
65.67235	0.1
71.01380	0.3
71.69742	0.2
75.59289	0.1
93.03476	0.9
98.69985	0.2
111.04549	0.4
112.35735	0.1
119.05042	2.5
137.02466	0.8
139.55244	0.2
145.02968	0.4
155.03551	0.6
163.04034	3.3
164.04428	0.2
173.04543	0.1
312.98892	0.1
319.08237	3.6
320.08603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.4
61.98832	3.2
71.01391	8.4
71.69158	0.6
72.99306	1.2
73.02942	1.1
75.00880	19.0
78.95933	0.8
85.02965	2.1
87.00887	18.0
89.02469	4.4
93.03465	1.0
99.00878	0.9
101.02463	6.0
113.02464	2.9
115.05558	7.1
116.05047	2.9
119.03499	1.4
130.06631	6.7
132.04578	24.5
133.04912	1.5
144.04588	1.2
158.06133	100.0
159.06502	5.8
173.04544	2.1
174.05652	3.2
176.07274	0.6
191.05647	2.3
202.05116	41.9
203.05420	2.7
215.88756	0.6
220.06184	7.3
237.06190	7.0
249.06171	11.8
262.07196	1.5
382.11450	71.0
383.11737	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	382.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82069	0.5
55.99373	0.5
57.03445	0.6
57.07834	0.4
59.01099	0.7
59.01385	11.7
61.33024	0.5
61.98840	1.2
66.32111	0.4
69.52016	4.0
71.01388	8.9
72.99309	1.2
73.02948	1.9
75.00883	17.7
77.01755	0.4
78.95912	1.3
83.01398	0.7
85.02959	4.7
87.00890	15.8
87.01431	0.8
89.02457	4.5
93.03473	2.3
95.01371	0.7
98.20653	0.8
99.00878	0.8
101.02463	5.4
107.05048	0.6
109.02950	1.1
113.02461	2.7
115.05563	5.3
116.05099	3.0
116.05790	0.7
117.01940	0.7
119.03535	2.1
124.53691	0.5
128.05089	0.6
130.06648	8.0
131.03810	0.4
132.04581	27.1
133.02948	1.3
133.04884	1.3
134.04712	0.8
135.04526	1.0
137.02432	1.7
144.04564	1.5
146.06180	0.6
147.04576	0.7
150.03265	0.6
151.04022	0.9
157.05333	1.0
158.06139	100.0
159.06479	6.1
161.02580	0.4
161.04610	1.2
163.00426	0.7
163.04033	0.9
164.04416	0.9
165.01970	0.7
165.05536	0.5
173.04558	3.5
174.05684	3.1
175.02795	4.3
176.03555	35.5
177.01942	0.6
177.03940	1.6
179.03506	0.6
190.99854	1.6
191.03821	0.5
191.05638	10.3
192.06007	0.5
202.05121	38.3
203.05452	3.0
209.00934	0.9
219.02936	0.7
220.06186	8.0
221.06401	0.6
237.06169	7.8
240.69150	0.5
245.00871	2.5
249.06166	11.9
262.07242	1.2
283.05908	0.5
283.73508	0.5
323.17178	0.8
330.00864	0.5
338.08966	2.4
365.05286	1.3
382.11523	65.1
383.06418	3.7
383.11789	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	382.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19382	0.8
59.01385	0.7
61.98840	5.5
69.03459	1.0
71.05015	4.0
78.63863	0.8
81.42686	0.8
84.44721	0.7
85.60413	0.7
93.03471	1.0
95.05041	13.6
97.02973	17.4
102.44388	0.9
102.50027	0.8
109.02969	14.7
110.03304	1.0
115.04024	4.4
137.02504	1.4
139.04047	53.5
140.04347	2.5
153.01973	38.5
154.02353	1.5
165.01968	17.7
166.14421	0.7
173.04619	0.9
180.95393	0.8
183.03017	100.0
184.03345	5.7
213.20885	0.8
290.49811	0.8
319.04630	11.1
320.04691	1.5
381.39044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01384	1.7
61.98834	100.0
69.67034	1.4
69.67441	0.9
71.01395	0.4
85.02940	0.5
87.00902	0.3
87.09382	0.3
89.02460	0.3
93.03468	0.9
101.02486	0.6
119.05073	0.6
124.26256	0.3
135.04524	0.5
137.02438	0.4
139.04060	0.4
153.01987	0.4
161.38493	0.3
163.04008	0.6
173.04616	0.4
183.03017	1.0
191.05678	0.8
266.47839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67277	1.3
57.74645	1.4
58.93687	1.4
61.98817	2.2
70.93982	2.9
70.94358	2.5
96.96014	6.3
112.38056	1.3
132.11244	1.3
153.12979	1.3
155.14490	1.3
171.13928	100.0
172.14233	6.8
181.16028	3.5
183.17477	3.2
186.30624	1.2
195.13951	1.7
197.15445	1.9
197.19022	1.4
209.15651	2.4
227.16524	4.8
236.14275	1.8
239.67149	1.6
271.81741	1.3
293.28519	1.9
307.30161	2.1
309.31662	6.7
335.29510	4.7
337.31070	4.3
338.31433	1.7
349.27545	10.2
353.30661	30.3
354.30939	2.9
357.46344	1.4
381.23270	8.0
381.30045	23.2
382.30450	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	381.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21439	0.2
55.72323	0.2
59.01376	0.8
61.98834	0.5
71.01391	12.3
72.01720	0.2
73.02956	0.3
78.95905	0.2
82.02975	0.4
84.26186	0.2
84.35239	0.2
92.05070	1.9
93.03495	0.2
98.02495	0.4
100.25117	0.2
120.04601	0.3
131.03783	0.9
132.04585	1.7
135.04529	0.3
144.03517	0.2
144.04587	3.1
145.04062	0.6
157.05373	1.1
157.07698	0.4
158.06151	2.2
166.06615	0.6
167.06151	2.2
172.04045	0.8
172.06403	1.4
179.14378	0.3
180.06952	0.5
180.14767	0.5
182.06184	0.3
184.07654	0.6
189.04327	1.6
191.05640	0.5
193.07732	3.7
194.08147	0.3
195.05585	0.6
204.06914	0.5
206.08366	0.3
206.19040	0.5
210.07706	0.3
219.09282	0.3
220.10023	0.3
251.14699	0.3
254.19215	0.5
264.17618	0.4
282.18628	3.7
283.18967	0.8
291.18649	4.7
292.18741	0.3
293.20007	0.3
309.19733	3.7
310.20016	0.3
319.21832	3.2
320.22031	0.3
335.21506	0.3
337.22897	0.5
381.21851	100.0
382.22171	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	381.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06747	0.5
59.01374	1.9
61.98809	0.9
69.03466	3.5
70.61501	1.8
71.01382	1.9
78.95909	0.6
82.03003	1.4
83.95111	0.5
84.04554	1.7
84.23740	0.5
85.02953	2.2
92.05070	7.0
98.02492	50.4
99.00848	0.6
100.04054	2.1
102.05663	0.7
103.53535	0.5
109.02923	0.5
116.05138	0.5
118.03006	1.8
119.72068	0.6
120.04539	1.3
122.06104	0.9
131.02931	0.7
131.03807	6.3
132.04582	30.6
133.04916	1.3
140.07178	1.3
144.04567	4.1
145.04111	1.1
153.12949	1.0
154.99867	1.3
157.05341	2.2
158.06137	7.9
166.05161	1.0
166.06516	1.2
167.06194	0.5
172.04044	2.4
179.14426	1.3
181.16006	1.2
182.99347	1.8
183.11427	0.6
184.06174	28.7
184.07573	1.1
189.04359	4.5
190.04591	0.6
191.05688	1.1
192.17682	0.7
193.07712	8.7
194.07854	0.8
204.06973	1.2
206.08437	0.9
206.19116	1.5
224.09706	0.7
224.16609	1.6
234.15054	0.9
252.16032	5.0
281.20328	1.4
282.18674	7.8
291.18668	20.6
292.18933	3.0
309.19736	16.9
310.20059	2.4
320.18671	0.8
337.25406	0.9
338.19733	46.4
363.20938	0.8
372.88412	0.5
381.21838	100.0
382.18558	2.2
382.22391	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	381.1921
Annotation	Cytosporin E
Peak:m/z	Relative Intensity
50.21214	1.5
53.90691	1.7
55.01882	9.5
59.01381	16.5
61.98824	4.1
62.97953	1.9
65.03960	2.2
67.01907	10.6
68.99824	10.6
69.03473	3.7
71.01393	8.0
71.69966	3.0
72.99319	8.3
73.02957	12.6
78.95905	11.0
80.02699	5.7
81.03481	4.7
83.01417	5.0
83.05032	3.5
84.02218	1.9
85.02950	3.9
87.00882	4.9
88.77552	1.8
89.02476	5.0
93.03471	22.0
95.01407	24.1
95.05045	3.4
98.38309	1.7
99.00887	11.8
106.04275	8.2
108.02197	41.4
109.02974	4.9
111.00932	3.1
111.04589	13.1
112.98833	10.8
115.00426	3.1
117.01982	11.5
121.02975	10.0
122.03769	7.4
123.00926	4.0
123.04599	2.5
124.01719	4.1
129.01952	2.7
130.08693	2.1
135.04565	2.6
136.01683	41.8
137.02472	7.3
138.03247	2.6
142.99886	1.8
149.02422	3.4
150.03226	3.8
152.99615	6.4
155.03577	11.3
169.16039	2.4
171.13928	2.4
174.01721	20.4
207.17555	31.9
208.17892	2.2
209.19142	16.9
219.17567	10.1
221.19083	13.6
223.17029	3.9
225.18655	5.5
228.16122	1.7
231.17574	2.5
233.19174	23.3
235.17039	11.4
235.20708	7.9
236.17482	1.9
237.18567	11.0
245.19176	2.3
247.17041	4.0
247.20609	2.6
249.18608	48.7
250.18958	4.1
261.18524	2.4
263.16516	72.4
263.20074	5.7
264.17026	12.6
264.19623	1.6
265.18069	15.3
275.20139	5.7
277.18097	100.0
278.18451	10.2
279.19623	3.6
281.17621	4.4
289.18021	3.0
291.19601	3.0
293.17520	13.0
293.20560	2.5
307.19116	4.9
309.17197	2.1
319.19116	5.3
321.16983	10.2
322.17523	1.9
325.20462	2.5
337.20190	28.9
338.20618	3.5
353.19696	59.2
354.20099	7.6
381.19202	48.3
381.26691	8.4
382.19397	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
55.16898	0.8
57.03178	1.1
57.03451	20.8
58.00605	1.2
59.01383	59.7
61.98825	2.0
62.68584	0.7
71.01391	25.6
71.69640	0.8
72.01716	0.8
72.99313	2.8
73.02953	4.9
75.00890	3.6
83.01390	2.8
85.02966	7.9
87.00887	3.9
89.02457	21.1
93.03474	3.1
95.01409	2.7
97.02953	0.6
99.00919	1.5
99.04536	15.7
101.01775	1.0
101.02458	21.0
102.02840	0.7
109.06601	1.2
113.02476	9.1
114.02835	0.6
119.03521	6.2
123.08165	0.9
125.02472	7.6
125.09774	1.8
129.01984	0.7
132.04561	1.5
135.04510	3.5
136.04857	1.0
137.02446	2.3
141.09213	1.8
143.03508	1.1
143.10799	8.3
145.02959	1.0
155.03569	0.8
155.10834	1.9
157.12424	0.9
158.06119	5.8
159.03027	1.3
161.02473	1.0
161.04608	5.4
163.04063	3.2
173.04555	2.9
173.11836	1.4
176.96631	0.7
178.76631	0.6
179.05661	2.2
185.60886	0.6
189.01958	1.2
191.05612	6.9
201.11388	1.2
202.05099	2.6
203.12959	0.9
206.81493	0.9
207.03015	2.4
215.12816	1.6
219.02995	1.4
219.12393	36.5
220.06218	0.7
220.12711	2.4
237.09819	11.1
261.13498	1.1
279.10889	3.2
319.14258	1.6
321.15582	5.2
322.15982	0.7
381.17700	100.0
382.11530	3.9
382.18069	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	380.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61111	0.8
59.01384	3.9
59.90375	0.8
60.20773	0.8
61.98828	2.1
66.03507	4.5
67.01900	7.7
68.01437	1.0
68.05070	4.8
69.03468	5.6
71.01370	1.0
71.69988	1.3
78.95919	7.2
83.05020	1.3
84.04587	1.5
85.02948	1.2
87.60923	0.8
92.19910	1.0
93.62759	0.8
94.03017	1.8
96.04583	8.3
100.04079	6.3
104.32181	0.8
105.05888	1.1
120.04594	2.0
120.08216	18.0
132.04582	1.1
138.09267	8.9
153.12843	6.5
155.14447	36.8
156.14795	1.9
164.07220	4.1
179.14404	1.7
182.08276	14.0
201.15009	5.1
219.17577	3.9
223.17061	55.3
224.17319	6.1
232.17076	32.1
232.19386	1.5
233.17386	3.4
246.55539	0.9
247.20836	1.0
248.16414	1.4
250.14482	1.3
250.15346	1.6
250.18155	25.5
250.73686	0.8
251.18462	2.5
258.97272	0.9
259.19543	1.5
274.21780	100.0
275.22125	12.4
292.22830	10.0
293.23010	1.3
318.20740	8.5
336.21832	15.4
337.22244	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	380.1565
Annotation	cis-Zeatin-O-glucoside
Peak:m/z	Relative Intensity
55.01874	0.5
57.03439	1.6
57.13597	0.4
58.00590	0.8
59.01383	19.9
61.98835	2.4
63.99233	0.8
71.01388	32.3
71.05024	5.5
71.70414	0.5
72.01698	0.8
72.99316	1.5
73.02953	1.6
75.00877	1.3
78.95939	0.8
83.01403	1.1
85.02971	3.3
86.46226	0.4
87.00867	0.9
88.04048	4.7
89.02454	9.0
93.03487	0.7
94.79290	0.4
95.01398	0.7
96.96982	0.6
99.00925	0.8
99.04530	2.8
101.02458	9.2
103.82163	0.4
113.02460	5.0
116.03587	0.7
116.07197	1.5
119.03540	3.5
123.04698	0.4
125.02478	0.8
128.07198	1.9
129.05597	0.7
135.04518	1.4
136.04915	0.6
137.02469	0.4
143.03468	0.5
145.02933	0.8
146.08252	56.5
147.08574	2.5
151.04031	0.6
161.04619	0.8
163.04025	1.8
173.04550	0.6
174.11354	0.6
191.05632	2.0
200.09306	1.3
207.03082	0.9
207.55345	0.5
218.10220	0.9
219.12375	2.2
263.11319	0.9
285.91818	0.5
308.13525	4.7
321.15558	0.7
329.68607	0.4
362.14627	1.5
380.15631	100.0
381.16077	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	380.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68249	0.3
57.03453	0.4
59.01377	1.4
61.98842	0.9
68.99814	0.7
69.91899	0.8
69.92336	1.2
72.99319	0.4
75.00877	0.6
78.95912	1.7
81.02225	0.6
82.03003	1.3
84.04559	17.7
85.02941	1.7
85.04919	0.4
94.02335	0.3
94.02998	0.6
108.04547	1.1
109.01712	1.0
110.02512	0.6
110.06132	4.0
113.80693	0.3
117.01944	0.7
122.02498	1.0
123.03300	1.1
128.03566	13.3
129.03905	0.4
136.04074	1.6
137.04837	1.3
138.05649	5.3
150.05634	0.9
151.06383	0.6
153.12895	1.4
165.07964	2.0
169.16017	0.9
171.14005	0.3
178.05092	0.6
179.14441	100.0
180.14799	7.8
181.15996	0.8
183.17667	0.4
186.71950	0.4
193.07512	0.5
193.15913	0.6
195.13931	3.4
195.17465	0.6
223.13435	3.4
225.15004	1.2
226.15309	0.6
234.18578	0.4
235.15756	2.2
236.16248	0.5
239.16492	1.3
240.16878	0.6
245.08372	0.4
248.16605	1.2
250.14484	54.8
251.12837	5.3
251.14899	3.5
252.13274	0.5
261.17053	0.4
264.19617	3.2
265.14359	2.7
266.14740	1.9
274.18173	0.9
276.16058	3.6
283.15439	1.2
288.16116	0.5
290.17639	0.7
292.19189	28.1
293.19571	3.5
308.18729	2.7
309.15878	1.1
318.17178	5.0
336.18173	22.5
337.18484	2.8
378.42068	0.3
380.17154	12.1
381.17395	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	380.0856
Annotation	Fluxapyroxad
Peak:m/z	Relative Intensity
51.70938	2.1
57.42863	2.1
59.01379	25.6
60.01708	5.9
69.84359	2.0
71.01389	19.0
71.70808	4.2
72.01720	6.1
78.95921	16.6
85.02951	3.6
87.00919	3.2
88.98813	2.7
89.02458	23.3
90.02775	6.7
96.96975	30.5
101.02462	9.1
103.92040	4.2
105.61596	2.3
113.02454	6.3
114.02811	4.3
114.05625	2.4
119.03515	10.1
120.99689	4.1
135.04518	4.8
142.05157	3.4
142.99831	2.9
144.03885	3.0
144.06662	4.6
157.86124	2.2
163.04080	2.5
175.27519	2.0
179.05566	8.8
180.05965	8.6
188.05679	12.3
191.05553	4.8
217.02940	9.2
218.03339	10.4
226.59344	2.4
263.91577	2.5
312.54190	2.4
342.11234	100.0
343.11456	17.4
344.11716	6.2
380.08658	71.4
380.13931	4.1
380.15567	3.7
381.08801	14.7
381.17932	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	379.2856
Annotation	Persin
Peak:m/z	Relative Intensity
59.01374	4.0
61.98847	1.1
65.50475	1.0
69.90049	2.3
69.90459	6.0
76.16515	0.8
98.03753	6.1
111.00890	4.0
121.02970	1.6
123.04492	0.9
153.12889	5.3
155.14407	1.3
163.04013	1.0
169.15967	2.7
171.13896	2.9
197.15483	48.1
198.15810	3.8
207.13983	2.4
223.13464	2.6
225.14977	2.1
248.14247	2.2
251.12813	1.4
252.13637	3.0
262.15741	2.2
307.30069	15.5
308.30356	1.4
309.27951	9.3
319.26398	1.3
333.28027	3.3
335.29553	11.9
351.29141	5.4
352.29254	1.4
361.27487	11.5
362.27802	1.7
377.64542	1.1
379.28534	100.0
380.28864	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	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68976	1.0
55.01880	1.1
57.03452	100.0
58.03787	2.3
59.01384	75.8
71.01389	13.7
71.04034	2.9
73.02959	4.9
77.75703	0.8
81.03462	1.3
83.01393	2.9
85.02951	7.1
87.00882	1.3
89.02463	1.7
99.00904	2.5
99.04536	82.6
100.04867	2.1
101.02464	35.0
113.02476	6.9
125.02476	18.1
143.03532	1.5
159.02925	1.1
161.04543	6.0
235.11882	36.7
236.12314	1.6
277.12930	4.1
317.16122	2.4
349.76236	1.1
379.15918	5.7
380.16220	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	379.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80567	0.8
57.59649	0.9
59.01384	5.0
59.60585	1.1
61.98808	1.6
68.99837	0.9
71.70975	1.5
79.88194	0.9
82.02968	1.1
83.76184	0.9
84.04552	3.1
84.78837	0.9
93.04554	0.9
93.10934	1.0
94.02988	3.4
95.94643	0.9
96.00935	6.2
102.05628	1.2
110.06161	1.0
111.05649	14.1
122.02502	4.4
124.98008	0.9
136.04071	2.6
137.02415	1.4
138.05598	1.5
153.06779	1.0
156.86150	1.1
164.03497	1.4
179.14445	5.1
181.06328	4.5
195.13863	1.9
196.17102	1.7
207.13750	1.0
214.97687	0.9
223.13358	1.6
248.16585	4.6
250.14485	37.5
251.14876	2.6
264.15958	2.2
276.16046	17.2
277.16422	1.7
290.17621	2.7
292.19092	2.2
309.16043	1.4
318.17068	7.6
319.17407	1.2
335.19772	100.0
335.23264	3.8
336.20215	11.2
379.18631	16.4
380.18869	3.2
380.24368	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51027	1.0
55.01853	1.2
57.03451	100.0
58.03811	1.7
58.93703	1.2
58.94725	1.0
59.01381	71.2
61.59449	1.3
70.53519	4.6
71.01394	10.3
72.22495	1.2
73.02953	4.6
74.35042	1.0
81.03487	1.4
83.01405	3.3
85.02953	7.7
87.73888	1.1
88.98819	2.0
99.00923	2.6
99.04534	73.3
100.04836	1.9
101.02456	31.3
113.02456	5.3
125.02470	21.4
134.10059	1.1
143.03534	2.6
159.02968	1.5
161.04576	4.2
174.97658	1.0
235.11877	31.1
236.12283	1.4
249.15312	2.6
277.12900	2.5
282.12845	1.2
317.16071	2.4
379.16043	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26414	0.6
52.20751	0.6
57.03451	100.0
58.03790	1.9
58.82079	0.6
59.01382	70.9
60.01715	1.7
61.98820	0.9
63.13694	0.6
69.68218	4.1
71.01390	16.6
72.99324	0.7
73.02950	5.7
81.03472	1.1
83.01390	2.9
85.02967	7.9
89.02439	3.9
95.01426	1.5
97.02922	0.7
99.00896	2.6
99.04537	80.5
100.04874	2.3
101.02460	29.8
113.02459	9.3
119.03505	1.1
125.02476	20.9
126.02797	0.9
131.07132	1.5
143.03519	2.8
155.07129	0.9
157.08716	0.8
159.02988	2.5
161.04585	9.0
191.05612	0.7
235.11873	31.3
236.12157	2.7
237.93440	0.7
263.34308	0.6
277.12946	4.1
317.15961	2.8
355.92581	0.7
375.29224	0.6
379.16071	12.5
379.23392	1.3
380.16476	1.6
382.59506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1402
Annotation	Polyandrol
Peak:m/z	Relative Intensity
54.66867	0.7
59.01384	4.0
59.01631	0.8
61.98831	3.5
65.03975	1.0
66.38358	0.8
70.22476	3.6
77.08822	0.7
81.03462	3.4
91.01907	3.4
95.01423	1.1
107.01402	7.6
108.02197	19.5
109.02976	100.0
110.03337	3.8
111.00895	0.8
121.02981	2.1
122.03797	4.0
123.00915	8.3
123.04502	0.7
124.01714	3.8
135.00941	6.4
136.01685	3.4
137.02467	6.9
139.48349	0.7
148.05327	1.4
149.99632	1.0
150.03239	1.5
151.04033	3.5
153.01976	7.4
163.03976	1.0
164.01180	2.6
164.04837	2.0
165.05527	0.8
171.13942	6.4
174.03334	1.2
175.07710	1.1
176.01202	1.5
178.02637	1.0
178.99895	46.0
179.03448	2.5
180.00319	2.9
189.01991	0.9
199.13438	12.7
208.00227	1.5
221.11841	1.5
245.15495	8.1
246.15764	1.4
247.17108	3.7
249.11124	0.9
250.18156	1.1
255.13936	1.6
261.14957	1.1
263.16522	71.1
264.16910	8.2
273.14948	16.7
274.15350	0.9
291.16058	24.1
292.16336	2.9
296.04474	0.8
307.11996	1.0
307.15549	19.9
308.15860	1.6
335.15018	79.2
336.15292	10.0
336.21881	1.1
351.14572	1.0
361.13010	5.4
362.13120	1.0
379.14011	36.2
380.14307	4.4
380.18848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0828
Annotation	Preussomerin EG3
Peak:m/z	Relative Intensity
55.01889	0.2
57.03450	0.5
58.00595	1.2
59.01382	26.2
60.01723	0.6
61.01815	0.3
69.03471	0.1
70.18353	0.3
70.18764	0.5
71.01389	23.1
72.01740	0.6
72.99312	1.3
73.01815	0.4
73.02959	0.6
74.05825	0.1
75.00915	0.2
78.95915	1.3
81.03461	0.2
81.99351	0.2
83.01391	0.9
85.02962	3.0
86.03311	0.1
87.00892	1.5
88.98834	0.4
89.02455	35.4
89.19652	0.1
90.02782	1.0
91.02883	0.7
92.87682	0.1
92.92818	1.3
94.92529	1.3
95.01393	1.1
96.97000	0.6
97.02977	0.4
99.00891	0.3
101.02457	14.4
102.02794	0.5
103.02912	0.2
107.03558	0.2
108.90217	1.2
108.98773	0.2
110.89933	0.3
112.89613	0.2
113.02469	10.8
114.02808	0.6
115.02869	0.2
119.03516	12.1
120.03876	0.4
121.03970	0.4
125.02464	0.4
131.03532	2.2
143.03526	3.1
149.04584	1.1
152.89198	0.3
154.91621	0.3
161.04582	5.3
162.04858	0.3
163.05083	0.2
165.04166	0.2
179.05632	16.6
180.05943	0.9
181.06070	0.7
191.05621	0.2
199.01947	2.9
200.02321	0.2
215.03262	0.8
216.03616	0.3
217.02983	20.4
218.03362	0.9
221.06656	0.4
281.08838	0.4
302.83075	0.1
341.10898	100.0
342.11246	8.7
342.14600	0.1
343.11395	9.7
344.11679	0.8
379.08319	82.8
380.08670	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	378.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
59.01377	1.4
61.10564	0.5
61.98837	1.3
70.54991	1.8
82.06635	4.6
83.05040	0.8
94.02993	5.4
98.19990	0.6
109.02996	0.6
109.30862	0.6
126.58405	0.5
129.70120	0.5
153.12842	2.6
155.14517	0.6
179.14471	0.5
179.32671	0.6
181.16035	1.3
183.85167	0.5
194.15456	1.8
197.15456	1.0
209.19112	14.9
210.19487	0.7
217.22624	0.6
230.44949	0.6
236.20209	100.0
237.20563	8.0
264.24225	1.1
334.28323	3.6
378.26999	8.9
378.31165	2.7
379.24493	0.9
379.28427	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	377.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97193	0.3
56.38963	0.2
57.03438	0.3
59.75446	0.3
60.81573	0.2
67.01897	3.0
69.03461	11.1
70.55700	0.8
83.05035	0.5
85.06624	0.3
95.01385	1.8
108.02158	0.4
109.02973	2.3
119.05049	0.4
121.14717	0.3
122.03745	0.5
131.92828	0.3
144.78705	0.3
153.12888	4.3
154.13292	0.3
155.14441	10.8
155.15707	0.6
156.14758	0.4
161.06049	0.4
169.15991	0.5
170.01018	0.3
171.13957	3.6
176.79668	0.3
177.16481	1.4
178.16898	0.3
181.15942	0.4
195.17557	19.1
196.17873	1.2
197.15514	0.6
205.16064	1.0
221.15479	5.2
222.15842	0.5
223.17046	12.6
224.17418	1.1
242.05429	0.3
260.88751	0.3
281.28583	1.3
349.31036	0.3
359.29538	2.2
377.30615	100.0
378.30966	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	377.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68600	0.8
55.21324	0.7
61.98811	1.0
63.96871	0.7
67.01897	2.7
69.03458	12.4
71.69853	1.0
77.51490	0.7
95.01389	2.2
109.02976	1.7
110.86710	0.7
153.12877	4.3
155.14442	9.3
169.15961	0.8
171.13916	3.5
177.16550	1.4
179.42705	0.7
195.17566	21.4
196.17903	1.7
205.15959	1.1
221.15474	5.9
223.17035	14.7
224.17375	0.9
281.28598	1.4
323.74347	0.9
359.29608	2.8
373.84158	0.8
377.30634	100.0
378.30963	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	377.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03459	1.4
58.00596	5.4
59.01382	100.0
60.01720	1.8
60.99326	0.3
61.98835	1.1
70.28758	0.9
70.29168	0.7
71.01389	73.3
72.01735	1.2
72.99312	5.8
73.02956	1.5
73.84524	0.3
83.01393	2.7
84.02171	0.5
85.02966	12.1
87.00897	3.2
89.02459	94.7
90.02782	1.7
95.01398	5.0
99.00908	0.3
101.02460	38.5
102.02818	1.0
111.55340	0.3
113.02469	29.1
114.02817	0.8
119.03523	40.6
120.03865	0.7
125.02489	0.6
131.03523	4.3
143.03525	6.8
144.03754	0.3
149.04578	3.1
158.01689	0.3
161.04607	5.4
179.05632	13.5
180.05983	0.5
182.91234	0.3
197.15486	60.0
198.15826	5.2
215.16560	0.4
224.29483	0.3
377.21915	3.7
378.22153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51259	2.2
58.99598	2.5
59.01379	54.2
71.01364	2.5
71.18889	2.7
71.19215	3.0
79.08646	2.1
85.02992	2.3
89.02449	2.4
91.04049	2.2
102.98594	10.7
103.66039	2.5
111.08167	2.3
118.32615	1.9
137.09735	11.6
155.10803	100.0
156.11169	4.5
171.10292	26.1
172.10770	2.2
178.48225	2.5
181.08792	4.3
199.09792	23.5
217.10835	41.0
270.10873	2.0
273.13425	18.4
291.14499	83.9
292.14981	8.2
292.47955	2.2
333.15549	53.0
334.15845	6.5
377.17465	2.6
377.21875	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	377.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17242	2.3
59.01382	41.4
67.55919	2.5
69.58024	21.2
110.62931	2.4
137.09749	8.7
155.10805	100.0
156.11081	4.7
171.10281	26.3
172.96080	2.5
181.08617	4.7
197.48807	2.4
199.09810	21.7
217.10852	35.5
218.11247	3.1
227.02307	2.4
273.13416	21.8
274.13684	3.1
291.14493	84.9
292.14908	4.0
316.05231	2.7
329.13895	4.2
333.15610	51.5
334.15884	5.8
342.17117	2.7
377.08389	2.4
401.10397	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69149	0.2
59.01379	1.9
69.36800	0.9
69.37227	0.7
70.17662	0.1
71.01384	0.6
73.02981	0.2
85.02979	0.3
88.98803	0.2
89.02468	0.3
92.05003	0.1
93.03469	0.3
93.17019	0.2
98.19811	0.3
99.00865	0.2
101.02467	0.3
105.30978	0.1
107.05046	0.2
109.01237	0.2
113.02514	0.2
123.04554	0.3
134.03777	1.2
135.04546	100.0
136.04877	5.2
151.04019	1.4
155.07227	0.3
161.02336	0.2
161.04558	0.2
171.10207	0.2
173.04547	0.5
174.04933	0.2
177.01929	0.2
179.03520	6.9
180.03902	0.4
190.82539	0.2
191.05707	0.8
215.09239	1.2
272.07440	1.5
273.07721	0.2
289.07047	0.2
297.09839	5.2
298.10083	0.5
339.06253	0.2
341.08774	19.8
342.09125	2.0
377.06461	4.3
377.14310	0.5
378.06567	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	375.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03463	0.7
58.00602	0.7
59.01382	100.0
60.01719	1.1
61.44114	0.3
61.75484	0.3
61.98843	0.8
71.01386	12.0
71.70206	0.4
72.01740	0.4
72.99319	0.7
73.02951	3.1
83.01401	1.5
85.02965	3.5
86.50201	0.3
87.00887	0.7
89.02461	7.6
95.01408	1.1
95.05054	1.0
95.41234	0.3
98.03766	0.8
99.00903	0.4
101.02461	6.9
107.05063	0.8
109.03011	0.4
109.33607	0.4
111.04519	0.6
113.02470	4.4
119.03519	3.3
125.02461	0.6
134.03873	0.3
135.04596	0.5
140.99963	0.3
143.03537	0.8
149.09796	0.4
151.11317	10.2
152.11632	0.6
159.02991	0.4
161.02530	0.4
161.04568	4.5
169.12392	2.3
170.04382	0.3
170.12711	0.4
173.04497	0.3
179.05620	0.8
191.05598	0.6
195.10287	13.3
196.10663	1.2
203.05646	0.3
212.04803	0.5
213.11407	1.2
231.03127	0.3
268.89334	0.4
315.05795	0.4
333.19226	6.2
333.22647	0.3
334.19531	0.9
339.94962	0.3
355.59781	0.3
375.11002	0.4
375.18890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.42540	0.3
57.03447	0.4
59.01382	100.0
60.01725	1.4
61.98838	5.4
69.48788	0.3
71.01382	2.4
71.71146	0.3
71.71523	0.3
83.01389	0.4
85.02966	0.8
89.02443	2.2
92.71609	0.3
93.03498	0.4
97.06737	0.3
101.02474	2.0
104.11040	0.3
111.04591	0.4
113.02466	1.7
119.03572	1.1
132.41829	0.3
143.03589	0.4
148.67996	0.3
161.04652	1.5
179.05679	0.5
245.12286	0.8
315.18185	5.3
315.21582	0.4
316.18579	0.8
375.06342	0.5
375.21323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06203	0.4
58.06332	0.4
59.01383	100.0
60.01720	1.4
61.98839	1.5
62.18402	0.5
69.57780	4.2
71.01376	2.3
78.95896	2.3
89.02459	3.9
96.97003	1.7
101.02466	1.3
102.98599	0.5
107.38785	0.4
113.02509	0.9
117.51991	0.5
119.03506	0.7
131.07217	0.5
143.03581	0.6
165.50635	0.5
167.31616	0.4
178.63736	0.5
251.15222	0.5
375.18118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
58.00600	1.8
59.01381	37.1
61.98825	3.4
66.65750	1.3
69.03461	7.2
69.63335	10.8
71.01392	26.6
72.99320	3.0
83.01403	6.0
85.02979	6.6
89.02456	26.9
93.03486	1.6
95.01412	3.4
95.05068	1.6
98.19846	1.6
101.02469	14.3
108.02183	4.0
109.02975	6.5
111.04543	2.1
113.02472	17.9
119.03522	10.2
121.02993	1.4
125.02460	5.6
131.03471	1.5
135.04546	1.6
137.02435	2.3
143.03519	2.0
147.04543	6.2
153.12878	2.2
161.04599	2.7
169.16039	13.4
171.13936	14.1
175.04022	11.6
179.05644	5.3
179.14542	2.2
179.69504	1.5
181.15977	12.8
195.13933	35.0
196.14255	2.8
201.01906	5.5
209.15466	5.6
213.14990	4.0
219.03029	2.2
222.18593	3.2
237.14966	100.0
238.15327	11.5
253.52753	1.3
255.16133	2.4
266.17508	2.3
267.16043	13.4
268.16449	1.7
279.16006	8.2
292.75439	1.3
294.41888	1.4
298.37860	1.4
357.18085	2.2
375.07037	7.3
375.18228	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39636	0.3
57.03503	0.4
58.00630	1.5
59.01381	14.4
61.98827	1.7
70.56406	0.6
70.56806	0.9
71.01390	5.4
71.01755	0.4
72.99338	0.6
73.02950	1.8
75.00923	0.5
83.01441	0.5
83.05057	0.4
85.02959	2.0
87.00887	4.7
89.02491	1.4
93.03531	1.0
95.01453	0.5
95.05058	0.5
99.00942	0.7
101.02459	3.1
107.05077	0.6
108.02257	0.3
109.03012	0.7
111.00954	1.0
111.04548	0.6
113.02476	1.9
115.92127	0.4
117.03497	0.8
119.03513	0.4
119.05069	0.9
121.01511	0.3
121.02963	3.1
122.03798	1.6
123.00962	0.3
123.04596	0.9
124.04116	0.4
125.02451	0.5
129.02034	0.4
133.03000	0.8
134.02892	0.4
134.03766	2.5
135.04555	9.3
136.04050	0.5
136.04947	0.5
137.02467	1.4
137.06097	0.4
139.04085	0.6
143.03534	0.5
145.02983	3.5
146.03806	0.8
147.04562	1.5
149.02463	36.7
150.03250	46.3
151.03566	2.3
153.01949	0.5
153.05592	4.1
159.03064	0.5
161.02466	4.5
161.04532	4.1
162.03262	3.5
163.03993	1.5
164.04814	17.3
165.05588	100.0
166.05933	5.5
173.04539	1.5
177.02019	0.4
177.05585	2.8
179.03526	3.4
179.05043	0.4
179.05711	0.4
180.04321	4.2
181.04787	0.6
189.01720	1.8
191.05614	2.5
195.06639	24.1
196.06955	1.4
201.00026	0.5
201.01711	5.1
202.02005	0.4
207.06627	0.8
207.76859	0.4
213.07718	0.3
234.96944	0.4
315.10727	0.5
327.10852	6.7
328.11017	0.7
344.06558	0.4
375.06949	8.1
375.11743	0.8
375.17535	0.5
376.07025	1.4
381.23499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1873
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01881	0.9
57.03450	1.0
58.00596	0.9
59.01384	100.0
60.01731	1.1
61.98847	1.4
63.40144	0.3
69.03460	0.4
71.01392	20.1
71.05035	1.3
71.65092	0.4
72.01746	0.3
72.99340	1.0
73.02958	6.3
73.03344	0.5
73.09695	0.3
75.00895	0.5
81.03461	0.4
83.01396	2.8
85.02964	7.8
85.03442	0.5
87.00899	0.7
88.98855	0.4
89.02459	8.2
89.02982	0.4
95.01387	1.6
97.03003	0.6
99.00898	1.8
99.51698	0.2
99.92625	0.4
101.02464	15.0
101.06053	0.3
102.02773	0.4
111.00941	0.4
113.02477	7.6
113.03249	0.5
116.92898	3.6
117.01936	0.4
119.03524	2.7
125.02524	0.8
131.03578	0.5
141.01936	0.3
143.03549	1.0
159.03073	0.9
161.04588	7.5
162.04999	0.5
169.12384	0.8
179.05713	0.8
195.05959	0.3
211.13385	0.5
235.46001	0.3
249.53949	0.3
276.01248	0.3
287.05878	0.3
301.82846	0.3
313.16589	2.5
331.17651	14.1
332.18127	1.3
373.26318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
61.98834	100.0
71.69872	0.9
79.95744	0.9
85.02992	0.7
93.03485	0.7
94.55103	0.6
106.34532	0.7
106.90929	0.7
120.61157	0.7
137.02480	2.8
175.04065	1.1
201.01930	1.2
238.08766	1.3
271.10001	0.8
329.21140	0.7
333.38394	0.6
347.03305	0.7
350.13867	0.8
375.17899	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73964	0.5
55.07999	0.4
58.72333	0.5
59.01377	4.7
60.99309	15.9
61.98824	1.5
70.61010	0.5
71.01382	0.5
71.40291	0.6
71.40622	0.8
72.99319	0.6
79.80743	0.5
83.01398	0.8
88.98818	100.0
89.99129	1.2
105.03545	0.6
107.01418	1.7
133.02979	7.6
134.03352	0.6
141.19380	0.5
149.02458	1.3
151.00388	3.7
175.04042	2.0
188.26761	0.5
197.91522	0.5
199.04041	1.5
222.92517	0.8
243.03041	0.7
285.04062	65.5
286.04401	5.8
374.93637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1873
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
50.90349	0.2
54.96886	0.2
55.01883	1.0
57.03453	0.8
57.11194	0.2
58.00594	0.7
59.01383	100.0
60.01722	1.1
61.98840	2.0
69.03473	0.3
71.01389	15.7
71.70220	0.3
72.99326	1.1
73.02956	5.3
73.03344	0.4
75.00890	0.5
81.31453	0.3
83.01401	2.4
85.02960	5.4
85.03436	0.3
87.00909	1.1
87.04540	1.3
89.02462	8.4
91.03703	0.3
95.01389	1.4
96.96081	0.4
97.02922	0.3
99.00896	1.2
101.02462	13.5
101.06126	0.5
102.02814	0.4
109.03003	0.3
111.00904	0.3
113.02480	5.8
114.02859	0.4
119.03519	3.7
125.02499	0.9
131.03564	0.6
135.04567	0.3
135.08214	1.0
135.98431	0.5
137.18477	0.2
140.70062	0.2
143.03543	0.9
159.03041	0.6
161.04582	5.5
167.10706	0.3
179.05692	1.1
182.75035	0.2
190.74471	0.3
205.03680	0.3
211.09872	0.6
211.13373	1.2
313.16492	1.2
331.17636	10.2
332.17996	1.3
351.20789	0.3
358.03986	0.3
373.18637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1872
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.03458	2.5
58.00589	3.6
59.01384	100.0
60.01712	1.3
69.08437	0.7
69.51107	3.1
69.51541	4.1
71.01392	55.8
72.01730	1.1
72.99313	6.2
73.02962	1.7
83.01414	3.2
85.02963	10.3
85.03361	0.7
87.00893	2.4
89.02458	69.7
90.02820	1.0
95.01394	4.2
98.19822	1.4
101.02461	46.9
102.02842	1.3
109.03013	0.8
113.02471	27.0
114.02791	0.8
118.00602	0.7
119.03525	36.5
120.03876	1.3
125.02503	0.8
131.03517	2.3
143.03529	2.9
149.04576	2.6
151.04030	0.8
161.04608	2.8
175.11462	0.7
179.05617	5.3
181.37973	0.8
191.65369	0.7
193.12349	7.3
211.13371	3.7
271.02438	0.8
299.01920	0.8
358.04138	0.8
373.18707	59.9
374.19052	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	373.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10132	0.5
51.63066	0.5
55.01874	0.9
57.03451	0.6
57.45136	0.5
58.00598	0.9
59.01092	0.9
59.01384	21.5
61.98835	46.2
67.01887	0.6
71.01388	13.1
71.69514	1.0
72.99317	2.0
75.00864	1.7
77.27023	0.5
78.15489	0.5
83.01405	1.1
85.02962	3.3
87.00884	0.8
89.02457	13.6
93.03464	1.5
95.01408	1.4
98.84565	0.5
99.00859	0.6
99.92589	1.5
101.02468	9.5
104.05169	0.5
108.02190	10.7
109.02963	1.9
111.00896	1.3
111.04524	0.7
113.02467	4.5
114.00567	0.5
115.92068	1.4
116.93034	0.5
119.03527	5.4
121.03016	0.8
122.03755	1.5
123.00949	4.1
123.04554	5.5
124.01695	3.1
125.02454	0.7
133.02950	1.0
134.03735	1.0
135.00818	0.7
135.04518	2.3
136.01680	1.3
137.06111	2.0
148.01631	0.8
148.04071	0.7
149.02490	2.5
149.04555	0.7
150.03242	10.7
151.00435	1.0
151.04065	1.3
152.01154	1.5
165.01907	0.7
165.05568	2.3
166.05112	1.1
167.03525	3.4
167.05472	1.1
173.04570	3.7
174.04961	0.7
177.01942	2.1
178.02744	42.8
179.03094	3.2
189.05598	2.0
191.05624	3.8
192.04189	0.6
193.05078	100.0
194.05418	6.9
196.03728	0.7
209.04482	0.8
210.04094	1.4
211.02510	2.1
211.04327	1.0
211.06142	1.5
216.95912	1.0
217.96806	0.9
267.06659	0.9
272.66110	0.5
373.00699	2.8
373.07727	10.9
373.11575	4.9
373.20313	1.0
374.00562	1.2
374.07730	0.9
374.11969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2183
Annotation	Deacetylspiramine S
Peak:m/z	Relative Intensity
57.03439	0.2
57.30957	0.2
59.01375	1.0
61.98817	0.4
69.21300	0.2
70.78760	0.5
84.32805	0.2
85.02966	0.2
91.05579	0.2
98.20017	0.2
101.03980	0.5
116.05090	2.5
118.06651	100.0
119.05044	0.4
119.06220	0.3
119.06991	4.4
134.73210	0.2
137.02502	0.2
146.06146	7.2
147.06477	0.2
153.12878	0.2
153.58028	0.2
156.08218	0.3
162.05699	0.8
166.63275	0.2
169.16000	1.0
197.15486	9.3
198.15817	0.6
209.15465	2.8
210.15866	0.3
272.20111	0.5
328.22839	8.6
329.23096	1.3
373.20319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07950	0.5
57.03453	0.4
59.01383	6.0
61.44347	0.5
61.98850	1.3
69.03485	0.4
71.01383	4.6
71.09245	1.0
71.09581	0.5
74.99158	0.6
83.01425	0.7
83.71098	0.4
89.02478	0.5
89.37549	0.5
93.03500	0.9
108.02193	2.8
109.02975	13.6
110.03329	0.8
111.00908	0.9
115.00387	7.3
115.01131	0.6
118.98112	2.3
121.03009	1.9
122.03762	19.7
123.00978	0.8
123.04554	1.6
124.01682	11.6
125.82697	0.5
133.02979	29.3
134.03439	1.5
135.04544	4.3
137.00797	0.5
137.02472	5.7
145.03003	0.7
146.03743	2.4
147.04547	12.8
148.05353	6.9
149.06175	0.5
151.04027	1.1
153.01965	0.6
154.02727	4.4
159.04579	0.9
160.05319	1.6
161.02486	1.5
161.06105	11.4
161.07391	0.8
162.06506	0.6
163.04001	2.4
165.00284	0.7
173.04608	1.2
174.03432	0.6
175.07631	0.5
179.03564	1.4
185.06133	0.5
191.05687	1.0
213.05630	1.8
224.04778	0.6
225.05547	0.9
237.05653	1.2
239.07124	1.2
241.05074	4.5
242.05862	14.2
243.06134	1.5
251.07167	1.3
254.05803	1.0
255.06679	3.1
256.07288	1.2
257.08206	7.5
267.06659	1.7
268.07336	1.3
269.08206	5.0
270.08957	14.6
271.09415	1.4
278.05942	0.5
283.09750	1.6
285.11334	100.0
286.11655	12.0
295.06177	4.5
310.08456	1.8
311.08853	0.7
325.10815	3.5
329.10312	1.7
331.17529	0.7
335.07727	1.1
373.09265	16.0
373.13303	0.8
373.18918	0.7
374.09576	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
59.01382	100.0
60.01719	2.1
61.98834	3.5
71.01378	2.5
71.69948	2.2
78.95910	5.7
81.01788	1.1
83.05035	1.7
85.02953	5.3
86.02499	2.5
93.03476	2.0
96.96964	1.8
101.02443	2.3
108.02205	5.5
125.02431	1.6
135.04535	5.7
138.03287	2.6
173.04561	3.0
190.08693	6.5
191.05670	3.2
192.24924	1.3
193.16008	2.1
195.13885	1.5
197.15483	1.5
207.48489	1.3
219.61470	1.3
221.15506	34.1
222.15883	3.2
223.17044	9.1
230.13109	1.2
250.14493	16.2
279.49127	1.7
283.19083	1.5
293.21292	2.1
325.20355	2.8
335.18570	3.4
344.22394	4.1
371.18854	1.6
371.31723	2.6
372.21744	10.2
372.25732	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	372.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75665	0.4
51.69856	0.4
59.01402	1.8
61.98837	3.3
71.01398	0.6
71.71101	0.7
84.64621	0.4
94.67929	0.4
111.00923	0.5
126.58725	0.5
168.22435	0.5
224.17421	0.5
233.04898	0.5
240.08043	0.5
244.07591	0.6
244.11244	0.5
246.05667	1.1
246.09291	0.5
255.06906	2.3
256.07730	3.1
258.05637	1.1
268.07672	5.3
269.08328	2.1
270.09268	1.3
271.06348	8.1
272.07019	3.8
272.10587	2.4
273.07980	3.5
282.09238	1.3
283.06393	2.3
283.10037	4.0
284.07211	3.2
284.10825	11.8
285.07953	4.2
285.11151	1.9
286.08722	29.7
287.09116	3.3
288.10336	0.6
294.14215	3.5
296.07132	6.3
297.07645	1.6
298.08618	0.6
299.05905	5.2
299.09579	2.8
300.06677	6.1
300.10330	26.2
301.07309	2.1
301.10925	8.6
303.05383	0.6
310.08636	1.4
311.06021	0.9
311.09482	12.1
312.06909	0.5
312.10297	8.1
313.07443	2.4
313.10751	1.1
314.08215	19.1
314.11853	1.0
315.08566	2.9
317.06909	0.6
326.08127	0.5
326.11856	0.7
327.08954	0.7
328.06143	3.8
328.09763	24.8
329.06696	0.7
329.10425	10.8
330.10922	1.1
339.09021	9.2
340.09738	8.3
341.10104	0.9
342.07556	0.6
342.11160	1.0
354.11328	1.3
356.09222	0.7
357.10065	100.0
358.10397	16.9
372.12418	50.2
373.12784	8.7
373.20157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39860	1.0
59.01382	100.0
60.01725	1.3
61.98822	3.8
62.42007	0.8
68.99818	0.8
71.01381	1.8
71.18070	1.7
71.18416	1.4
73.02959	2.1
83.01373	1.0
85.02996	1.7
99.00894	1.1
101.02457	5.7
104.20387	0.7
108.02190	2.1
135.04500	2.5
137.29935	0.9
157.01596	0.9
191.05687	2.0
193.15952	1.0
199.16995	1.9
209.19080	0.9
221.15468	19.1
222.15872	1.8
223.17065	12.6
224.17313	1.6
225.18633	1.6
237.18604	0.8
253.18098	2.0
255.19739	1.0
265.18008	0.9
283.19238	4.3
355.86588	0.9
371.18765	1.5
372.18021	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	371.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03458	1.8
59.01375	5.2
61.98829	0.6
68.99825	1.8
69.03463	0.5
69.50099	0.4
70.92064	0.4
70.92403	1.0
71.01388	6.7
73.02954	14.4
75.00879	0.6
83.01391	1.4
83.05027	0.4
85.02949	1.4
85.38448	0.4
87.00889	5.1
89.02430	0.8
99.00895	7.7
101.02456	42.2
102.02782	1.2
105.01939	1.3
109.02976	0.6
111.00873	0.9
115.00376	0.9
117.01901	0.6
124.01657	0.7
125.02467	0.8
127.00368	0.4
133.01451	2.4
143.03503	1.1
147.02946	0.6
163.80719	0.4
181.16003	0.7
183.17560	2.3
197.19142	6.9
198.19545	0.7
199.17056	12.3
200.17433	0.7
209.19128	0.8
213.18614	2.1
223.17033	100.0
224.17380	10.2
225.18568	2.1
237.18538	0.9
241.18034	1.0
251.16559	0.7
253.18100	6.1
254.18465	0.5
255.19638	6.0
256.19888	0.6
265.18073	3.2
283.19144	36.5
284.19473	4.3
295.19162	0.7
297.20825	0.6
307.19138	0.8
325.20276	3.8
371.20624	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66613	1.4
59.01372	7.3
61.98812	3.6
64.20499	1.2
67.01903	1.3
68.93143	1.3
68.99814	2.6
69.03456	2.9
70.77193	4.3
71.01392	15.3
73.02955	39.7
75.00871	2.0
77.45142	1.1
78.92117	1.1
81.03485	1.5
83.01396	1.7
85.02950	6.0
87.00810	1.4
93.03462	3.6
97.02970	2.1
98.08816	1.2
98.74689	1.2
99.00903	6.3
99.04603	1.4
101.02456	37.1
109.02946	2.7
111.00864	1.8
113.02460	2.8
115.93039	1.3
125.02383	2.0
135.02974	6.0
135.04543	9.6
136.77254	1.3
137.02449	4.9
152.01266	1.4
153.12857	1.4
155.03503	12.9
159.02985	3.0
169.16010	12.4
171.13922	53.2
172.14224	3.1
173.04576	31.4
179.03458	1.5
179.14453	1.5
181.16017	6.8
191.05574	8.6
195.13869	5.7
197.15483	100.0
198.15819	6.0
209.15541	2.2
225.14948	2.5
227.16525	19.4
228.16869	2.1
237.14932	5.1
239.16626	1.8
253.14456	4.4
255.16003	26.0
256.16364	3.0
260.60577	1.3
267.15900	2.8
280.15512	2.4
281.15530	10.9
291.15927	1.5
293.13873	4.4
297.17075	1.9
298.98053	1.6
299.18573	2.2
309.16995	2.5
327.18140	98.8
328.18539	10.3
371.17108	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	371.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.1
59.01384	7.4
61.98822	4.5
68.99816	2.0
69.03455	2.3
71.01399	16.6
71.69946	1.7
71.70399	2.8
73.02954	38.6
75.00906	2.3
75.80402	1.3
85.02948	3.8
93.03469	2.6
99.00895	8.5
99.35165	1.5
101.02466	36.8
103.93871	1.7
109.02983	2.5
125.02440	2.1
135.03001	4.2
135.04538	9.4
137.02464	6.2
141.64221	1.7
155.03557	14.4
159.03023	3.8
169.15988	12.6
171.13936	44.4
172.14250	3.0
173.04579	35.2
174.04881	1.7
176.04556	1.7
179.14432	2.9
181.15982	6.9
182.38356	1.6
191.05663	14.8
195.13942	3.4
197.15491	100.0
198.15825	6.4
209.15508	3.7
225.14932	2.1
227.16530	17.3
237.14877	4.9
253.14368	4.3
255.16032	23.3
256.16394	2.3
280.15723	2.2
281.15906	6.0
293.13977	6.1
296.75284	1.5
297.16968	1.8
309.17059	3.7
327.18164	89.0
328.18530	10.6
343.17606	2.5
353.15762	2.0
371.10165	2.5
371.17490	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	371.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
67.01893	2.6
67.35789	0.5
69.03461	4.8
71.01370	0.6
71.02020	1.0
71.02346	0.9
72.99351	0.6
75.00869	1.0
83.01399	2.5
85.02948	1.6
85.96712	0.6
93.03465	0.9
95.01392	0.7
97.02935	0.7
99.00905	2.0
108.02214	2.2
111.00901	7.0
112.98841	2.4
113.02474	1.2
115.00419	0.9
124.01668	2.2
131.93938	0.6
135.03040	4.5
139.00365	1.2
142.99869	1.6
152.01213	3.1
153.12874	1.6
173.00937	2.3
175.14929	1.0
179.14441	3.5
181.16010	15.0
182.16371	1.3
191.14430	1.2
193.16006	3.1
197.15497	4.5
205.15982	1.5
207.13893	0.6
209.15530	5.7
210.15997	0.7
219.13855	0.8
221.15521	6.2
235.13402	5.8
235.17053	1.4
237.14955	15.2
239.16766	1.0
247.16942	1.4
249.15031	3.8
251.16681	0.9
253.14464	1.3
258.60999	0.5
265.14447	19.3
266.14868	1.7
267.16049	1.6
270.19339	0.5
279.16202	1.1
285.65616	0.6
292.30737	0.6
293.13965	100.0
294.14322	8.4
325.16684	5.0
353.16125	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	371.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
55.51430	0.4
57.03468	0.5
67.01888	1.6
68.99812	0.7
69.03466	4.5
70.73080	1.4
71.01387	1.2
71.05022	0.5
72.99284	0.5
75.00884	1.0
83.01387	3.3
85.02956	1.6
86.19476	0.5
87.11329	0.5
87.28322	0.5
95.05025	0.5
97.80640	0.4
99.00884	1.6
108.02184	1.7
111.00899	6.4
112.98831	2.5
113.02449	0.9
115.00395	0.5
121.02925	0.7
122.03751	0.5
123.00842	0.6
124.01691	2.5
134.02769	0.5
135.03032	4.3
139.00392	1.3
142.99854	2.0
145.01364	0.5
150.03253	0.8
152.01186	2.2
153.12863	1.3
155.14383	0.7
167.14525	0.5
173.00938	2.3
175.02431	0.9
175.14919	0.8
179.14375	2.8
181.15999	13.0
181.17587	0.7
182.16327	0.6
191.14539	0.5
192.38571	0.5
193.16006	3.8
195.13936	0.5
197.15456	4.4
205.15887	0.9
209.15479	4.3
221.15457	5.8
235.13411	3.6
235.17064	1.0
236.13916	0.5
237.14970	12.5
237.17403	0.6
238.15285	1.7
239.16458	0.5
247.13420	0.5
247.17052	1.2
249.14951	3.9
251.16544	0.8
253.14450	1.7
265.14447	16.2
266.14813	1.2
267.16028	1.0
279.15970	1.3
293.13956	100.0
294.14307	11.0
294.17444	0.8
321.85303	0.4
325.16605	5.6
326.16986	0.8
331.31592	0.5
353.16013	2.7
354.16623	0.6
371.16971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03433	0.8
59.01368	0.8
67.01896	1.9
68.99825	0.6
69.03458	6.3
71.01389	1.4
71.46257	0.4
71.46613	0.8
72.99332	0.4
75.00886	1.1
83.01405	2.8
85.02962	1.6
87.00861	0.5
89.02461	0.4
93.03491	0.9
95.01389	0.5
99.00907	1.5
108.02211	2.0
111.00907	5.8
112.98856	2.8
113.02480	1.2
115.00417	0.7
122.03713	1.0
124.01705	1.8
125.02458	0.6
129.01923	0.5
131.39876	0.4
135.03033	3.1
139.00421	1.2
142.99879	2.4
152.01149	2.4
153.12874	1.7
155.14409	0.7
173.00934	2.0
175.14977	0.4
179.14461	2.3
181.16002	15.2
182.16342	0.6
191.14401	0.8
193.15974	3.8
195.13899	0.8
195.17645	0.6
197.15541	4.0
198.15804	0.5
205.16039	1.0
206.16173	0.4
207.13893	0.4
209.15514	5.9
210.15851	0.9
219.13951	1.3
221.15475	6.6
222.15796	0.5
235.13400	4.9
235.17093	1.3
236.13890	0.7
237.14977	15.2
238.15308	1.6
239.16611	0.7
247.16994	1.2
249.14932	5.0
251.16376	0.5
253.14436	1.5
265.01056	0.6
265.14459	18.1
266.14767	1.9
267.16086	1.5
279.16028	1.3
293.13959	100.0
294.14304	10.5
294.17465	0.8
309.17203	0.8
325.16592	6.3
326.16965	0.7
353.16168	2.4
367.17429	0.5
372.21844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26009	0.4
55.01868	0.9
57.03416	0.7
59.01389	2.5
61.98826	1.4
67.01896	2.3
67.68003	0.5
68.99812	0.9
69.03460	5.8
71.01379	2.4
71.42479	0.9
75.00863	1.4
80.02691	0.5
81.03477	1.0
83.01382	4.3
83.05052	0.6
84.02168	0.6
85.02954	2.6
87.00867	0.9
89.15677	0.5
93.03448	0.6
95.01393	0.7
97.02981	0.7
99.00892	2.8
101.02419	1.1
106.04224	0.4
108.02194	2.4
109.02985	0.9
111.00893	6.9
112.98825	3.5
113.02492	1.4
115.00378	0.9
121.02979	0.8
122.03787	1.1
122.30914	0.5
123.00937	1.0
124.01664	2.0
125.02495	0.9
129.01982	0.7
135.03027	3.6
136.01723	0.5
137.02460	0.7
139.00403	1.4
142.99899	3.0
145.01462	0.6
152.01131	2.2
153.12898	1.5
159.53896	0.5
169.01427	1.4
171.13962	1.7
173.00926	2.7
179.14436	2.0
181.16000	17.0
182.16380	1.0
191.05505	1.1
193.15970	3.4
195.13916	0.7
197.15474	5.9
199.02515	1.3
205.15997	1.2
207.13885	0.6
209.15480	6.5
213.65536	0.4
221.15445	6.4
223.17088	1.5
235.13441	4.9
235.17021	1.3
236.13876	0.6
237.14961	14.9
238.15260	1.8
239.16602	1.0
247.17041	1.2
249.14989	4.1
251.16490	0.8
253.14478	1.6
265.14435	17.6
266.14706	2.3
267.16028	1.5
279.15988	1.2
293.13950	100.0
294.14267	8.8
325.16559	5.5
347.28238	0.6
353.16147	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	371.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35399	0.4
59.01388	1.4
70.34556	1.5
70.34956	0.7
71.01404	0.8
73.02966	0.5
85.02537	0.3
85.02968	7.9
87.00896	2.2
93.03480	2.4
98.20520	0.6
109.02975	0.8
111.04535	0.7
120.66673	0.4
127.03999	2.1
143.01784	0.5
155.03505	0.6
173.04605	0.6
191.05643	100.0
192.05984	3.9
215.07411	0.4
370.86862	1.0
374.37057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88578	0.3
57.03439	0.3
59.01382	1.1
60.99305	0.4
67.01900	1.8
69.03460	0.5
71.01392	1.6
80.39146	0.3
81.03471	0.6
83.05076	0.5
85.02505	0.5
85.02966	5.9
87.00874	1.8
93.03475	11.6
94.03798	0.3
98.19910	0.7
109.02979	1.2
111.04538	2.4
113.02528	0.4
117.56822	0.3
123.04571	1.2
127.04048	1.8
133.02946	0.4
135.04553	22.6
136.04868	1.2
137.02489	2.2
153.05620	0.8
155.03564	1.5
161.02492	2.4
167.03537	0.5
173.04581	36.3
174.04936	1.3
179.03503	2.6
191.05638	100.0
192.05995	5.1
197.04605	1.2
285.63721	0.3
341.08978	2.0
353.08841	5.9
354.09064	0.8
371.09857	19.0
372.10135	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	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01379	2.5
59.49122	0.3
60.99296	0.6
67.01879	2.4
69.03466	0.6
70.54738	1.1
71.01379	1.7
72.99343	0.4
81.03461	0.5
83.05064	0.9
85.02957	7.4
86.44390	0.3
86.53974	0.3
87.00876	2.7
93.03470	15.4
94.03803	0.5
99.04541	0.4
109.02965	2.9
110.56915	0.4
111.04524	3.7
113.09364	0.4
123.04543	1.8
127.04063	2.2
133.02965	0.8
134.03749	0.9
135.04546	85.1
136.04878	5.0
137.02463	2.7
141.35687	0.4
153.05576	2.0
155.03526	3.0
161.02461	3.2
167.03586	0.8
173.04572	37.2
174.04872	1.6
179.03522	5.5
191.05632	100.0
192.05989	5.2
197.04536	3.8
201.87070	0.3
205.44510	0.4
341.08899	2.0
353.08813	8.0
354.09064	1.3
371.09848	22.8
372.10199	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	369.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03432	1.2
57.82146	0.5
59.01387	3.7
59.10821	0.5
61.98837	1.3
67.01897	2.8
68.01415	0.5
68.99816	0.8
69.03459	7.5
69.61285	2.5
69.61697	1.3
70.02974	1.4
71.01378	1.8
71.05005	0.5
72.99329	1.3
73.02950	0.6
75.00896	0.7
81.03461	1.3
83.01388	4.0
83.05009	0.5
85.02960	3.8
86.03204	0.4
87.00854	0.9
91.78107	0.5
93.03475	1.1
95.01373	1.0
96.00877	0.5
97.02977	1.3
99.00867	1.3
105.01253	0.9
105.01947	16.6
108.01514	0.5
108.02171	2.6
111.00890	4.7
113.02496	2.6
115.00377	1.7
120.31976	0.5
121.02950	0.6
122.03802	0.6
123.00911	0.9
124.01668	2.0
125.02460	0.8
127.00333	0.6
129.01894	0.5
137.02472	0.6
139.00369	1.6
141.01915	0.6
142.99835	0.6
143.22853	0.5
145.01425	3.6
151.03981	0.7
152.01172	1.9
157.34261	0.6
158.06110	0.7
169.01451	1.0
173.04529	0.5
181.15987	2.3
183.17563	1.4
207.17531	3.4
208.17865	0.7
209.19112	15.4
210.19440	1.6
219.17474	0.8
221.19150	3.4
223.17081	1.5
223.20668	1.4
225.18637	1.0
226.18959	0.7
233.19159	0.8
235.16890	0.5
237.18614	10.2
238.18930	0.8
245.19154	1.4
247.17052	0.9
249.18576	5.9
250.18735	1.3
251.20145	0.7
252.19633	3.8
252.82785	0.5
253.17673	0.8
253.20056	11.7
254.20407	0.6
263.16501	4.1
263.20139	2.1
265.18054	10.9
266.18271	1.6
267.19644	2.1
277.18076	4.8
279.19763	0.7
281.17581	3.8
282.17847	0.7
293.17593	13.8
294.17929	1.4
295.19144	4.0
307.19305	0.6
321.17090	100.0
322.17432	13.8
323.18680	5.2
325.22485	1.1
351.18213	2.5
369.19189	1.9
369.25729	0.6
370.23929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06293	0.1
59.01384	0.5
61.98838	0.4
62.96397	0.3
72.12943	0.1
73.13719	0.1
78.95914	100.0
91.80640	0.1
95.96192	1.1
96.96980	34.1
98.20641	0.4
124.02924	0.1
132.64101	0.1
186.00464	0.1
206.81639	0.2
210.69769	0.1
369.22021	15.8
370.22327	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	369.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51682	2.1
54.81617	2.2
55.97411	2.0
61.98832	8.5
71.69724	3.7
131.00818	2.7
155.14458	21.3
156.14871	2.5
169.15994	17.3
170.16356	3.0
185.15511	5.6
239.04758	2.6
251.35318	2.8
295.30099	8.2
325.31143	100.0
326.02042	2.5
326.31601	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	368.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79854	0.2
54.27506	0.3
55.01881	0.3
57.03444	0.3
59.01367	1.4
61.98828	2.1
62.15345	0.2
68.01417	2.4
68.99836	0.3
69.03469	0.7
70.02983	12.3
71.01391	1.5
71.71019	0.3
83.01367	0.5
84.04565	0.4
84.23296	0.3
85.02952	0.8
87.00899	0.3
96.00939	1.7
99.00893	0.3
101.56876	0.3
102.96251	0.3
105.01947	2.2
111.00876	0.9
115.00375	2.6
124.04032	0.4
133.02921	0.3
142.05130	1.6
152.07199	0.2
157.39169	0.3
169.01331	0.4
181.15997	0.8
183.17618	0.6
197.15442	0.3
206.19174	1.3
207.17564	6.4
208.17830	0.6
209.19157	2.4
221.19112	0.5
224.20212	0.9
225.18587	5.5
226.18884	0.5
237.18639	1.3
239.43739	0.3
249.18576	0.9
250.18033	0.5
252.19678	100.0
253.20032	10.1
253.22084	0.3
263.16501	0.6
264.90750	0.3
265.18109	1.8
277.18127	0.6
280.22812	0.7
281.17514	0.7
293.17551	2.1
295.19046	0.4
307.19424	0.3
321.17081	12.8
323.18604	0.8
324.21808	14.2
325.22250	1.6
351.18335	0.5
368.20874	3.4
369.21536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01088	1.1
59.01382	20.3
60.36901	0.6
61.98824	1.6
62.89938	0.6
63.96248	0.9
69.64181	5.0
69.64580	1.1
71.01384	1.8
74.99102	0.9
78.95903	1.0
79.95760	2.7
85.02964	3.3
89.02511	0.9
93.03471	2.9
95.04465	0.7
95.05059	0.8
96.96024	100.0
98.19851	1.2
101.02448	1.1
109.02962	4.7
111.04543	1.7
113.02455	0.7
117.97340	3.4
122.03741	2.3
122.36424	0.6
123.04549	1.8
125.02475	3.9
127.11317	1.4
133.02962	1.5
134.03743	2.0
135.04559	1.9
135.08142	0.7
137.02441	2.6
137.06084	0.9
137.09732	1.4
138.97131	1.1
139.11346	2.4
141.09271	1.1
147.04550	2.5
149.06111	12.9
151.04019	0.9
151.07704	3.4
157.12361	13.3
158.12708	1.0
161.02426	0.9
164.04817	1.4
164.08455	44.7
165.09241	16.9
166.09586	0.8
173.04607	3.6
177.01984	1.4
177.08919	0.7
178.02335	0.8
179.07176	4.4
185.11853	23.1
186.12204	1.5
189.01981	1.2
191.05656	4.5
203.12907	63.9
204.13274	5.1
207.06683	1.2
207.10313	1.0
221.08548	11.9
227.12918	2.3
237.08029	39.8
238.08308	3.2
245.13953	14.6
247.06360	1.3
265.07501	47.4
266.07843	2.9
283.08585	21.9
284.08957	2.1
325.09631	67.1
326.10007	6.3
341.06573	1.0
351.07492	6.0
352.63403	0.7
369.08560	3.7
370.09085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
58.18782	0.6
59.01371	1.0
61.98839	4.9
66.03482	1.9
68.01411	2.6
70.02985	15.5
71.72064	1.0
84.04566	0.6
94.03032	1.1
96.00927	2.0
100.04040	1.0
110.06168	0.7
112.04076	5.3
112.07716	5.6
125.17474	0.6
128.07230	0.8
138.05637	2.4
141.81152	0.7
156.06702	7.0
167.14392	1.3
169.15941	0.7
185.25218	0.5
192.17632	1.3
193.15981	6.8
210.18629	1.5
211.17050	50.3
212.17351	4.0
237.18643	0.6
238.18132	100.0
239.18480	9.2
252.23201	0.9
264.19608	0.9
280.22824	37.5
281.23245	4.0
296.22293	1.0
305.06210	1.1
324.21817	25.9
325.22064	4.0
361.35654	0.6
368.20798	8.1
369.21191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
57.18884	0.6
57.20563	0.5
61.98542	0.6
61.98824	3.0
69.03440	1.0
70.71281	0.6
70.71635	2.3
71.05043	1.0
84.02162	1.0
95.01401	1.1
97.02972	2.5
109.02944	0.6
111.78185	0.6
123.00931	2.8
123.04474	0.8
137.02429	3.2
141.12846	1.7
149.09743	28.8
150.10071	1.6
151.11256	1.1
153.12894	1.7
155.14496	0.7
157.12367	1.5
158.41573	0.6
161.45642	0.6
165.12898	1.7
167.14455	6.0
169.12326	3.1
169.16006	3.5
171.13930	43.8
172.14233	2.8
177.12857	1.3
179.14449	0.7
181.16016	3.4
185.15503	3.2
195.13921	17.5
195.17607	1.8
196.14276	1.7
197.15489	100.0
198.15837	6.8
205.15984	26.7
206.16238	1.9
209.15489	3.2
213.14925	6.0
222.12625	1.7
236.14171	12.0
237.14484	0.8
277.02924	0.6
293.28604	2.6
305.28485	5.6
306.28702	1.1
321.28113	4.4
323.29608	0.8
339.29080	3.4
340.29337	1.1
349.27499	29.6
350.27884	4.1
367.28409	42.2
368.27292	4.9
368.28781	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49820	1.3
52.35416	1.7
53.85483	1.3
57.03464	1.5
61.98829	13.9
69.03429	1.6
71.69491	1.5
81.86103	1.4
84.48869	1.4
123.63361	1.5
137.02432	2.1
155.14493	2.6
167.14435	4.0
169.16019	2.0
171.13921	16.6
177.78886	1.4
181.16005	2.2
181.26028	1.3
192.15144	2.3
195.13924	5.1
196.14764	8.0
197.15479	27.6
198.15747	1.5
208.81184	1.5
210.16261	7.1
234.93163	2.1
236.14182	3.5
242.57982	1.5
295.30096	2.8
305.28552	21.7
306.28696	2.7
321.27792	2.6
323.29575	100.0
324.29956	12.9
339.29016	1.8
349.27533	7.9
367.28638	17.6
368.28647	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	367.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67123	0.7
57.03437	1.2
59.01375	1.8
59.57135	0.7
61.98602	0.6
61.98839	6.5
63.31437	0.7
67.06828	0.7
68.99825	0.8
69.03454	1.2
70.38248	1.3
70.38656	2.5
81.00604	0.7
84.02164	0.9
97.02973	2.5
109.02957	1.3
123.00892	2.1
134.35147	0.9
137.02449	2.2
141.12892	1.7
149.09734	18.9
150.10159	1.4
151.11354	1.0
153.12901	1.4
155.14465	1.0
157.12389	2.0
165.12885	1.2
166.23550	1.0
167.14426	5.8
169.12383	3.2
169.16011	2.7
171.13924	43.4
172.14331	2.1
179.14386	1.3
181.15947	4.2
183.13899	1.0
185.15503	2.5
195.13927	16.2
195.17632	0.9
196.14354	1.4
197.15482	100.0
198.15811	7.7
205.15977	19.0
206.16307	1.6
209.15446	3.9
210.15729	0.9
213.14969	5.6
222.12695	1.9
236.14148	12.6
237.14548	1.1
293.28522	2.5
305.28558	5.6
306.28769	1.0
321.27979	3.9
322.28116	1.0
323.29318	1.1
339.29022	3.6
349.27518	27.6
350.27841	3.4
364.59973	0.8
367.28345	44.0
368.28763	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	367.1038
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
61.98848	0.5
70.24192	1.0
70.24596	0.6
71.01376	0.6
73.02974	0.4
83.05042	0.4
85.02975	0.8
87.00893	0.6
89.03971	2.1
93.03481	3.4
101.02472	0.5
106.04225	0.3
109.02953	0.3
111.04541	2.6
113.38772	0.3
117.03488	8.8
118.03818	0.5
127.04066	0.4
129.01961	0.5
134.03763	84.0
135.04091	4.3
136.44528	0.3
137.02480	0.9
139.29669	0.3
149.06105	6.1
150.06493	0.6
155.03543	2.8
173.04581	6.1
174.04800	0.4
191.05634	6.8
192.06062	0.5
193.05077	100.0
194.05417	5.7
196.98605	0.3
235.11925	0.5
339.22702	0.3
367.10376	8.9
367.15259	0.7
368.10361	0.7
384.10513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
61.98834	100.0
69.03449	2.4
69.58957	1.1
70.24337	5.2
71.01376	1.0
85.02950	1.3
93.03519	1.7
94.40205	1.0
98.02497	31.3
99.02800	7.6
136.50636	1.1
139.14365	1.1
168.10326	6.3
169.10667	4.7
173.04604	2.8
184.06177	12.2
185.06528	8.3
252.56914	1.1
281.19489	2.2
300.47427	1.2
305.23276	1.4
323.24112	7.5
339.79639	1.3
367.23199	46.1
368.23370	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	367.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97317	0.2
56.51191	0.3
57.03432	1.0
58.00569	0.3
58.36725	0.3
58.51180	0.3
59.01379	1.9
60.99302	0.7
67.01895	4.4
69.03458	1.3
71.01389	3.7
71.62881	0.2
81.03459	1.0
83.05045	1.2
85.02956	0.7
87.00881	0.5
89.03963	0.3
93.03471	29.4
94.03805	1.0
95.48029	0.2
96.97337	0.3
99.04514	0.3
109.02955	0.6
111.00912	0.7
111.04539	5.2
113.02441	0.3
117.03487	2.0
123.27703	0.3
134.03763	21.4
135.04095	1.1
137.02484	4.6
138.02832	0.5
149.06078	1.4
155.03519	4.2
173.04573	100.0
174.04898	5.2
178.02776	0.3
191.05672	2.1
193.05075	15.2
194.05432	1.1
277.28058	0.3
367.10400	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01380	2.1
60.99298	0.6
61.98827	0.4
67.01895	5.4
69.03459	0.9
70.73236	0.8
71.01390	3.0
71.76590	0.2
72.14741	0.2
76.86523	0.3
81.03472	0.7
83.05038	1.0
85.02961	1.4
87.00885	1.0
89.03968	0.7
93.03470	28.3
94.03803	1.1
94.44547	0.2
99.04542	0.3
103.86813	0.3
106.04255	0.3
109.02965	1.0
111.00903	1.0
111.04543	4.9
112.04849	0.3
113.02509	0.4
114.81519	0.2
117.03486	1.6
125.02408	0.2
127.04028	0.9
134.03761	24.4
135.04079	1.6
136.15569	0.2
137.02467	4.3
138.02811	0.2
149.06125	2.0
150.06454	0.3
155.03528	4.7
156.03862	0.3
173.04572	100.0
174.04903	5.0
191.05638	7.4
191.07350	0.4
192.05963	0.4
193.05077	17.9
194.05402	1.2
286.68335	0.3
340.80978	0.3
342.75201	0.3
367.10385	3.3
368.10855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35662	0.6
57.03446	3.6
59.01366	1.4
67.03011	0.8
68.01417	6.0
70.02985	4.1
71.02493	0.6
71.03355	0.7
71.03719	1.5
74.02496	0.7
82.02982	4.5
82.80141	0.6
94.03016	2.2
95.02525	14.6
96.00968	0.5
96.04569	0.8
97.04099	9.9
98.02471	1.2
98.06136	4.1
99.02007	2.3
106.04145	0.5
107.02508	0.8
107.03735	0.7
107.06181	3.2
108.04582	4.2
109.04095	6.8
121.04084	1.0
122.03607	1.6
123.05666	5.8
125.03587	1.9
125.07277	2.7
134.03629	32.8
135.02003	0.6
135.03967	1.2
140.99353	0.7
141.35806	0.5
150.06750	9.0
151.11267	0.5
152.04666	1.2
153.12032	0.4
153.12910	5.3
155.14424	2.3
169.16014	10.0
170.94742	0.6
171.13879	1.8
181.16031	1.5
194.15547	4.4
195.17500	2.7
196.17085	68.0
197.17421	5.2
206.15520	1.1
207.17395	0.6
208.17032	1.3
210.18636	12.1
211.19046	0.7
220.17021	2.6
222.18626	7.0
223.18980	1.0
234.18660	2.0
236.16505	1.0
244.17130	0.6
251.21265	5.0
252.19612	3.5
259.18097	0.8
261.19720	3.1
262.18097	8.9
263.18637	0.7
277.19183	2.2
279.20789	100.0
280.15591	4.7
280.21091	9.4
304.20316	48.3
305.18472	3.3
305.20807	3.8
306.18777	0.6
322.21375	17.9
323.19937	2.5
366.20337	20.7
367.20700	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	366.2038
Annotation	R-Bambuterol
Peak:m/z	Relative Intensity
57.03440	1.5
58.02972	1.0
59.01380	0.7
59.02508	3.9
63.12130	0.5
66.03503	0.8
68.01426	3.4
70.02984	9.4
74.90373	0.5
80.05034	0.7
82.02998	3.9
85.04063	0.7
94.03014	1.7
95.02527	17.3
96.00917	2.0
96.04533	0.7
97.00402	0.8
97.04088	16.6
98.06131	1.1
99.02023	2.1
105.12857	0.5
106.90415	0.5
107.03790	2.2
107.06153	1.3
108.04577	17.3
109.04112	3.3
111.02005	1.2
113.03579	1.6
123.02013	1.6
123.05695	3.2
125.03610	1.3
125.07208	2.6
134.03612	2.0
135.03244	0.8
140.04683	3.3
141.03140	0.6
153.12904	2.9
155.14407	1.0
169.15987	3.6
171.13995	1.1
173.04565	0.5
181.15997	0.7
192.17622	0.6
194.15485	2.2
195.17601	0.6
196.17085	48.3
197.17407	3.6
206.15533	0.9
207.13860	0.6
208.17078	1.4
210.18607	3.5
220.17056	2.9
222.18610	3.7
224.16682	0.7
229.43863	0.5
234.18636	0.7
236.16588	0.8
236.20152	0.6
239.17619	0.7
244.17024	1.8
248.16225	0.5
250.18124	1.2
251.21109	2.6
252.19704	1.4
253.19905	0.6
261.19611	1.3
262.18106	22.8
263.18451	2.0
277.19107	1.1
279.20792	54.9
280.15582	1.4
280.21140	5.1
287.17697	2.0
302.92783	0.5
304.20309	3.3
305.18661	8.8
322.21378	8.5
323.19595	3.9
333.56552	0.5
348.19266	1.1
366.20364	100.0
367.20715	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	366.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
71.40602	0.4
74.48224	0.2
82.23972	0.2
93.03496	0.6
96.94415	0.1
108.02219	0.2
116.05071	2.9
117.03484	0.2
121.02975	0.5
132.04567	0.2
134.03802	0.8
149.02461	0.7
159.03294	0.5
160.04068	100.0
161.04420	5.3
167.03575	0.9
168.03961	0.2
173.04570	0.4
191.05634	0.5
193.01439	0.4
193.05122	1.2
204.03033	4.2
205.03304	0.3
366.08322	20.6
367.08731	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	366.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98834	100.0
66.76811	0.2
70.18969	0.4
70.19388	0.7
70.23134	0.2
77.16454	0.2
90.65665	0.2
94.97884	0.2
97.06628	0.3
105.07114	0.3
108.16788	0.2
109.06613	0.2
109.80766	0.2
110.84585	0.2
123.08250	0.2
135.08113	0.2
145.32872	0.2
152.07204	0.2
169.16058	0.3
171.13925	3.8
172.14291	1.6
179.34438	0.2
190.02866	0.3
197.15424	0.5
251.20177	0.4
252.20609	0.4
303.16226	0.4
322.23068	1.0
365.27026	1.2
366.27313	3.2
367.19687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.01370	3.2
61.98833	100.0
70.58373	1.4
78.95955	0.7
83.01402	2.0
85.02948	0.5
107.01442	0.9
109.02972	1.3
121.02975	0.7
121.34637	0.6
123.04543	0.9
124.01700	1.0
125.02460	21.2
134.03728	1.4
137.02443	1.1
149.02533	1.2
150.03210	0.7
151.00409	2.0
151.04051	1.5
152.01172	1.6
153.01970	2.4
161.02550	0.7
173.04575	2.2
173.65062	0.7
175.04047	2.9
177.01955	4.4
178.99883	2.1
189.05612	0.8
191.05635	1.5
193.05080	1.4
199.04082	1.4
201.01909	0.6
217.05048	1.6
241.05103	1.2
259.06039	2.7
275.05667	0.9
285.04034	16.1
285.06992	0.9
286.04443	1.2
287.05569	2.8
303.05130	16.8
304.05542	1.5
319.00293	0.6
367.01147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.27
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
57.03459	1.9
58.36694	1.1
59.01382	9.1
61.98619	0.8
61.98837	9.0
63.53654	0.9
68.49600	1.1
69.88713	1.4
69.89127	4.9
78.96319	1.1
81.03481	3.3
83.05059	2.5
85.02957	1.3
93.03522	1.7
95.05050	3.0
97.06607	5.7
98.20275	3.3
99.04516	1.2
109.06557	1.3
111.04520	2.3
123.08223	1.5
125.06120	1.1
135.08148	2.2
153.12944	1.3
155.14471	2.3
169.16028	3.3
171.13939	100.0
172.14273	5.3
177.29550	1.2
193.16046	1.1
195.14024	1.1
197.15503	11.2
211.13379	1.2
223.20625	1.6
233.19069	1.4
251.20126	10.2
252.20555	1.3
279.19940	1.7
305.16516	6.0
337.27747	1.3
339.38513	1.3
347.26147	1.3
365.26993	79.6
366.27417	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	365.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46999	0.6
59.01355	0.9
61.98792	2.3
69.81224	4.3
71.05021	3.8
80.49886	0.5
103.40938	0.6
121.02957	3.1
122.81604	0.6
125.02477	0.6
135.04510	1.5
137.09727	1.1
141.47130	0.6
153.12869	5.3
183.13896	0.7
183.17548	7.2
193.15987	1.2
195.17552	1.4
196.18034	0.7
209.19128	1.4
211.20660	0.7
248.17853	0.9
321.31635	100.0
322.32013	16.8
347.29590	25.3
347.33026	0.4
348.29794	4.3
365.30637	39.5
366.31042	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	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56338	0.3
55.01877	0.8
57.03449	1.3
58.00593	1.4
59.01380	31.1
60.01698	0.4
69.80466	1.9
71.01385	14.2
71.05029	0.3
72.01719	0.4
72.99303	1.6
73.02964	1.5
74.30622	0.3
75.00889	0.7
81.03471	0.4
82.64121	0.3
83.01404	1.7
85.02962	3.8
87.00893	2.1
89.02449	13.9
91.39346	0.3
93.03453	0.8
95.01407	1.1
98.37299	0.2
99.00871	0.7
99.04492	0.3
101.02457	10.2
109.02983	0.3
112.43456	0.3
113.02464	5.4
113.09740	1.1
119.03516	4.8
123.04538	2.9
125.02473	0.6
127.11291	1.2
132.04570	1.3
135.04474	0.5
138.05656	0.5
138.85625	0.3
139.11317	0.8
141.09238	0.6
142.06648	5.4
143.03552	0.4
149.04559	0.5
150.05637	0.6
155.03418	0.4
155.10791	2.7
157.12354	13.6
157.47354	0.3
158.06151	0.5
158.12744	0.8
161.04546	0.6
167.03513	10.7
168.03922	0.3
171.13982	1.5
173.04555	0.8
176.03693	0.3
179.03500	0.3
179.05638	0.7
181.05127	0.5
185.11852	2.8
186.05595	2.6
187.13391	1.0
191.03496	2.5
191.05415	0.5
194.04778	0.3
199.13403	1.8
201.11325	0.3
203.12892	40.5
204.06737	1.8
204.13275	2.5
209.04546	1.1
221.04659	0.4
245.13844	1.3
275.10303	0.5
279.11758	0.3
289.11963	2.0
329.08728	3.9
330.09259	0.6
333.10831	1.5
365.18176	100.0
366.11954	4.0
366.18527	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	365.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03448	1.1
58.00609	1.2
59.01384	27.8
69.53343	1.4
69.53771	0.8
69.58064	0.3
71.01392	15.8
71.05016	0.7
72.01733	0.2
72.99314	1.1
73.02940	1.2
75.00902	0.3
83.01421	1.3
85.02964	3.9
87.00896	1.4
89.02460	13.5
90.02850	0.2
93.03465	0.7
95.01408	1.2
99.00919	0.5
101.02464	9.3
111.04564	0.3
113.02478	5.1
119.03522	5.3
125.02489	0.3
127.11316	2.7
131.03571	0.3
135.04514	1.2
137.09787	0.3
139.11369	0.5
141.12901	0.4
143.03557	0.3
155.10802	2.1
157.12369	14.0
158.12692	1.0
161.02444	0.4
161.04594	0.4
171.13943	0.8
173.04575	1.1
173.77513	0.2
177.02081	0.3
179.03557	0.3
179.05650	0.7
185.11841	2.2
187.13425	1.4
191.05641	0.8
199.13455	1.5
203.12904	41.2
204.13266	2.6
245.13976	1.2
277.59781	0.3
307.80750	0.2
357.08234	0.4
365.18195	100.0
366.08463	0.3
366.18567	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	365.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
57.03452	100.0
58.03781	1.5
59.01382	76.8
60.01723	0.9
62.36915	0.6
69.07163	0.5
71.01397	10.5
71.69391	0.6
72.99332	0.5
73.02956	5.0
81.03476	1.4
83.01406	3.7
85.02950	7.0
87.00900	0.6
89.02437	2.7
95.01414	1.4
99.00914	2.5
99.04536	77.1
100.04890	1.9
101.02459	34.3
113.02468	6.2
123.04531	1.2
125.02473	18.7
143.03520	2.6
159.03023	1.4
161.04579	6.5
167.03508	10.3
168.03732	0.7
170.69331	0.5
177.13972	0.6
221.10313	38.9
222.10730	1.4
263.11331	3.5
303.14447	2.4
329.08682	1.3
330.41879	0.6
339.88638	0.6
343.49777	0.6
365.14517	6.8
366.14874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04743	1.0
57.03451	48.9
58.03803	1.3
59.01382	100.0
60.64845	0.9
61.98837	1.5
65.37112	0.9
71.01392	14.2
71.18726	2.1
72.00977	0.8
72.99317	1.2
73.02953	5.0
74.02485	2.7
75.00890	1.1
76.97399	0.9
81.03488	2.7
83.01404	3.0
83.05051	2.7
85.02956	7.9
87.00903	3.0
89.02465	6.5
93.03484	6.0
95.01404	1.7
99.00906	2.5
99.04533	38.8
101.02461	25.0
108.02174	1.1
109.02973	8.7
111.04528	6.6
113.02453	7.0
118.98148	1.3
119.03522	3.1
121.03085	1.1
123.04542	1.6
125.02479	12.7
130.64325	0.9
133.03015	2.5
135.04550	3.9
136.01736	1.3
137.02473	51.6
138.02814	3.9
139.07703	1.3
143.03534	1.1
147.00952	1.5
147.04579	3.6
147.15663	0.9
149.06131	4.0
155.03529	4.4
160.04041	1.8
161.02475	1.6
161.04527	4.7
165.02040	1.3
173.04587	5.3
175.04008	1.3
179.03546	1.3
179.05589	0.9
187.11276	2.9
191.03903	1.4
191.05664	4.5
192.02501	1.0
199.04207	1.8
203.12878	1.4
205.12288	1.8
214.59375	1.0
221.10289	16.9
231.10211	1.2
274.06970	1.5
274.14468	1.7
287.05869	1.0
296.06229	4.8
305.16046	6.7
334.01074	1.2
336.14526	4.3
355.08441	3.0
357.07983	1.5
364.58008	2.9
365.07932	15.9
365.14084	2.0
365.18173	12.2
365.57932	5.4
366.08307	2.9
366.15500	20.5
373.09601	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.8
59.01375	8.7
68.12097	1.8
68.99823	3.2
69.49655	19.6
71.01390	34.0
73.02938	6.4
77.35907	2.0
83.01398	11.2
85.02969	16.0
87.00908	9.9
93.03471	10.6
96.96978	4.1
99.00898	26.6
101.02409	3.1
111.00903	22.3
111.04539	5.5
112.19989	2.0
112.98830	84.9
115.00404	3.3
124.98818	3.7
129.01947	14.7
142.98824	3.6
142.99890	49.2
145.01407	2.7
146.38954	1.9
149.21278	1.9
155.03355	2.4
172.99443	3.3
173.00943	63.5
173.04556	18.5
174.01268	2.8
174.17616	1.9
191.01945	3.3
191.05640	100.0
192.05954	5.1
261.01230	2.1
287.50290	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67156	12.6
56.55730	12.5
57.74781	12.2
59.01382	100.0
61.98835	37.8
69.47230	64.1
69.47659	67.7
70.37073	12.3
71.05053	14.4
74.70401	12.3
78.95895	21.9
87.00912	12.2
95.63975	12.4
98.19901	30.9
101.02441	21.0
152.99637	19.9
167.10812	69.3
186.99336	14.6
197.81198	12.6
235.34666	15.2
302.20587	14.7
328.28720	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	365.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.7
70.71913	2.4
71.01385	2.4
85.02958	1.0
89.02459	1.2
101.02438	1.1
101.23286	0.7
105.03481	2.1
108.02195	26.6
109.02522	1.0
113.02512	0.8
119.03574	0.7
123.04543	14.9
123.05368	1.3
133.02972	14.3
135.04565	1.8
146.66653	0.6
149.02460	0.7
152.01186	31.5
153.01479	1.1
160.04060	15.0
167.03525	100.0
168.03886	5.2
177.01944	7.3
191.05580	1.0
305.06680	1.6
329.08762	11.6
330.09113	1.0
366.08185	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	364.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01132	0.3
59.01381	3.7
61.98813	0.5
71.70494	0.2
73.75143	0.2
80.05066	9.2
84.18155	0.3
85.02968	0.7
114.44302	0.3
124.80823	0.3
157.14003	0.3
170.08978	0.3
207.90694	0.3
234.18637	100.0
235.18977	9.1
300.30664	0.3
308.14151	0.3
320.18472	0.6
320.22327	15.0
321.22650	2.2
364.21344	17.7
365.21808	2.6
365.26199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.9
59.01382	9.0
59.75535	1.8
64.79483	2.1
67.01887	3.1
68.99833	5.2
70.00832	11.7
70.01121	2.6
71.01388	37.5
73.02950	7.3
78.95934	2.5
83.01389	10.4
85.02966	17.4
85.50146	2.5
87.00901	16.6
87.92549	2.3
88.98822	2.6
93.03488	9.8
96.96978	3.6
99.00903	34.6
111.00894	34.6
111.04516	4.1
112.98830	100.0
113.99174	2.6
115.00374	5.0
124.98807	5.9
129.01961	22.6
137.02501	2.3
142.99883	63.2
144.00122	2.6
145.01433	5.5
167.03511	3.0
171.75113	2.2
173.00945	86.0
173.04553	12.1
174.01289	4.0
191.01988	5.7
191.05632	90.3
192.06009	4.2
228.97548	3.8
286.78033	2.4
322.13110	2.3
365.05045	3.3
365.08920	6.7
375.66013	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	364.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87531	1.2
59.01380	6.0
60.82434	1.1
61.98834	100.0
63.02405	3.2
64.73817	1.0
65.00330	4.8
69.49529	11.9
72.94617	1.2
83.01393	3.6
84.59415	1.2
107.01392	9.1
109.02950	1.1
121.02972	9.1
125.02473	2.1
137.02440	1.5
139.03986	1.5
151.00401	39.1
165.01907	1.2
169.01414	2.7
178.99869	13.4
273.03958	2.1
301.03561	94.7
302.03897	9.3
319.11041	1.2
363.26837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09258	1.0
52.15096	0.8
57.03436	1.0
59.01389	5.5
61.98831	2.1
62.43845	0.9
68.01415	1.7
70.02982	18.5
70.15761	5.2
73.89449	1.0
76.57088	1.0
78.50267	0.8
80.03841	1.8
81.04591	21.5
91.53599	0.9
93.03487	1.6
93.04580	1.0
107.06173	2.3
108.05704	15.6
117.06965	1.0
120.05699	19.4
121.79723	0.8
132.03342	1.4
133.04138	1.0
136.08829	31.5
136.09834	1.9
137.09207	1.4
147.05609	1.1
150.92625	0.9
153.12790	0.9
155.14354	1.2
156.88316	1.0
161.07104	1.1
164.08321	46.7
165.08675	2.2
169.15984	0.9
173.04463	1.2
178.15968	1.1
179.14413	4.3
191.05608	1.4
196.17058	3.5
197.15475	24.6
223.93880	1.0
224.16577	56.4
224.43861	0.9
225.16954	4.9
240.04210	1.4
248.21040	1.0
261.19736	5.9
290.22388	38.8
291.22675	6.0
318.21875	100.0
319.22205	12.1
343.29825	0.9
362.20621	4.1
363.20578	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	359.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01366	0.5
59.01383	26.0
61.98805	1.4
70.61648	0.6
70.62001	2.3
103.86169	0.6
219.15781	0.6
277.21738	100.0
278.22089	13.0
359.22098	24.0
360.22449	2.3
377.04251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2183
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
53.37166	0.2
57.03445	1.1
61.98854	0.4
70.85394	0.9
71.05005	0.3
77.60318	0.3
78.95718	0.3
91.05585	0.4
93.03485	1.3
96.94459	0.3
98.01201	0.3
106.04255	2.2
106.66046	0.3
107.05062	5.6
108.02228	0.5
108.05393	0.4
113.92208	0.3
116.17120	0.4
119.05029	0.8
120.04567	0.3
120.06638	0.3
121.02977	1.9
132.04573	0.4
133.05368	8.1
134.06146	100.0
135.06488	4.8
146.06160	2.8
148.04063	0.7
153.12869	1.5
155.14444	0.9
162.09317	2.5
165.01649	0.3
169.15994	1.4
178.05101	0.4
183.17581	0.5
192.17642	1.1
194.15491	0.3
196.17104	5.0
197.17433	0.4
208.17126	3.9
209.17557	0.4
210.18655	22.0
211.19034	1.8
233.40697	0.3
273.18652	0.4
298.21848	1.1
316.22864	4.8
317.23221	0.7
360.21841	10.5
361.22253	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	361.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.7
61.98831	100.0
67.30910	2.2
69.41703	5.4
69.42109	20.4
72.00916	14.9
82.06622	2.6
88.07504	2.3
101.44064	3.3
121.51575	2.6
155.14403	7.0
192.17596	35.7
196.09711	2.5
197.15605	2.7
199.17058	5.5
209.19135	3.6
210.18666	19.8
236.20270	26.7
254.17599	13.7
298.20206	47.0
299.20465	4.3
361.16092	4.9
361.20233	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	359.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67685	0.4
52.13975	0.5
53.81809	0.4
57.95984	0.4
59.01367	1.2
61.98834	100.0
66.90620	0.4
69.52356	0.3
70.15338	0.5
71.04012	1.4
87.00896	1.1
98.20536	0.4
111.00896	2.3
121.10438	0.4
148.04041	0.6
177.01974	0.5
181.16025	3.4
183.17682	0.5
189.51753	0.4
234.22343	0.6
252.23338	2.3
264.47458	0.4
272.19986	0.4
296.22311	5.3
316.75723	0.4
359.15076	1.1
359.24463	0.9
364.88831	0.4
374.34097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27953	0.6
59.01382	100.0
60.01714	1.5
66.21418	0.6
66.95195	0.7
68.00888	0.6
69.82936	0.6
71.01389	6.4
71.03593	1.6
72.20612	0.7
73.02968	2.4
81.16364	0.7
83.01391	0.9
83.94717	0.6
84.08863	0.6
85.02979	3.2
93.03481	1.5
95.01373	1.3
99.00898	0.8
101.02458	3.4
102.98660	0.6
106.04304	1.0
109.02972	1.2
113.02498	2.6
119.05052	1.2
123.00909	20.5
124.01266	0.8
135.04564	1.7
137.02501	2.4
137.06110	58.4
138.03255	24.3
138.04308	1.1
138.06453	2.4
139.03589	1.3
143.03526	0.6
149.06200	0.7
153.05605	10.6
155.03659	0.8
161.04587	10.5
166.99876	5.3
173.04657	1.4
181.41100	0.6
182.02248	18.9
183.02686	0.8
191.05649	3.3
191.22913	0.6
197.04582	56.7
198.04956	4.6
200.98897	0.6
250.41127	0.6
264.13638	0.6
271.09787	2.3
299.11401	2.0
311.05588	0.6
311.35773	0.6
322.36322	0.6
359.09915	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Semperoside
Peak:m/z	Relative Intensity
56.39715	0.8
57.03457	2.0
57.34327	0.7
59.01380	23.3
61.98852	0.9
69.03474	1.0
71.01392	11.1
71.05028	1.1
71.70258	1.1
72.99324	1.6
79.05517	0.7
82.34716	0.7
83.05008	1.0
85.02962	6.6
86.76854	0.7
87.00887	0.8
89.02458	7.0
93.03493	2.1
95.01386	1.3
96.95987	0.7
101.02470	5.2
101.06082	0.6
107.08694	1.0
109.02927	0.8
109.06638	0.7
110.69462	0.6
111.04549	2.1
113.02463	6.6
114.97020	0.8
115.07700	0.7
119.03507	3.0
120.05833	1.6
129.09224	1.3
133.02913	1.1
133.10231	1.9
135.04555	1.4
135.08182	10.4
137.02487	0.9
137.06133	0.8
151.11322	1.0
153.09241	92.5
154.09576	5.8
154.98155	0.8
161.04549	1.1
163.04022	0.9
165.31421	0.6
173.04614	4.9
177.09293	1.2
179.03651	0.7
179.05646	1.3
179.07178	2.5
191.05644	2.7
195.10332	1.5
197.08211	100.0
198.08551	6.2
221.08394	0.7
223.00697	1.1
239.09398	1.5
271.09644	0.9
292.21387	0.7
299.18610	3.9
315.08609	1.2
317.19696	17.9
318.20007	1.7
340.08838	0.7
352.23184	0.7
359.08105	1.3
359.13412	4.6
359.20889	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	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01381	2.3
66.90714	0.3
71.01389	1.2
71.46627	0.8
85.02990	1.1
87.00884	0.4
89.02481	0.4
93.03503	0.9
95.01405	2.2
101.02458	0.6
102.98591	0.5
109.02996	0.4
123.00903	36.1
124.01254	1.0
137.02489	1.1
137.06125	0.9
138.03250	46.4
139.03555	2.2
153.05597	17.0
154.05933	0.9
166.99892	10.6
168.00174	0.5
173.04619	0.9
177.57036	0.3
182.02235	34.5
183.02594	2.2
191.05643	3.1
197.04568	100.0
198.04918	5.7
239.05617	1.0
242.05801	0.4
258.87500	0.4
269.60413	0.4
271.09735	0.5
355.05115	0.4
359.09915	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	359.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.1
59.01382	10.2
61.98823	0.9
63.02406	0.5
65.00327	1.9
67.01891	2.3
68.99816	3.8
70.37405	0.6
71.01392	5.0
72.99308	1.1
73.02972	0.6
78.95914	1.3
79.69472	0.5
81.03463	2.1
82.59577	0.6
83.01398	14.6
85.02979	2.8
87.00899	1.0
89.02446	3.8
91.01920	0.5
93.03473	11.8
95.01385	0.7
96.96980	1.1
97.02983	0.7
97.06605	1.4
101.02464	2.4
107.01428	3.0
108.02196	1.1
109.02978	10.3
110.03323	0.6
111.00900	2.0
111.04523	1.4
112.48096	0.5
113.02477	1.7
119.03512	2.1
119.05078	0.9
121.02943	0.8
123.00905	3.3
123.04572	2.0
123.46351	0.6
124.04073	3.4
125.02470	40.8
126.02785	1.6
127.04034	0.8
133.02988	2.0
134.04692	0.6
135.04552	9.7
136.04027	0.6
137.02472	17.3
137.06129	1.8
138.03342	4.1
139.04024	0.8
141.05670	0.8
143.03531	0.6
149.02460	3.1
151.00386	14.9
151.01541	0.8
151.04025	2.4
152.00928	0.7
153.01967	100.0
153.05574	2.0
154.02290	4.6
161.04616	0.8
166.99872	0.8
167.03537	1.2
169.01453	0.8
173.04622	4.5
177.01941	3.8
178.99933	4.0
179.03513	1.4
179.05721	0.6
182.02271	3.1
185.04550	0.8
191.05656	9.9
192.05885	0.8
195.03020	1.9
197.00847	0.7
197.04588	9.1
229.24899	0.7
242.05838	1.8
257.07770	4.9
267.06540	0.6
271.09674	2.8
287.07727	1.1
297.09842	1.0
299.08051	0.9
299.11365	1.0
309.21051	0.5
315.07153	7.4
316.07724	0.8
341.05191	1.2
359.06201	12.1
359.10562	6.1
360.06720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99360	0.9
54.24818	0.8
56.46061	0.8
59.01382	6.5
61.98837	100.0
69.03460	3.5
70.03804	1.9
71.69742	0.7
71.70186	1.3
82.14291	0.9
121.02983	3.9
124.00393	1.1
135.04594	1.4
153.12860	1.2
181.15942	1.6
188.76317	0.8
194.15591	1.1
197.15413	1.3
201.22804	0.8
209.15579	1.1
241.30885	0.9
252.16078	3.5
253.16316	6.8
279.20779	2.8
296.63632	1.0
357.06219	1.9
357.22729	21.0
358.23453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43832	0.4
56.23821	0.5
57.03459	0.4
59.01382	100.0
60.01716	0.9
61.98846	1.0
65.25053	0.4
71.01383	7.4
71.72090	0.7
73.02964	2.2
83.01427	1.5
85.02964	2.8
89.02464	0.9
95.01385	0.5
99.00916	1.1
101.02462	4.4
102.98605	0.6
113.02468	2.5
121.03009	0.8
135.04546	0.7
159.02998	0.6
161.04547	3.6
212.38289	0.5
234.21725	0.4
315.18228	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	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21264	1.0
52.58239	1.0
54.65902	0.9
57.03439	1.3
59.01382	8.7
61.98824	2.4
65.97729	0.9
67.38147	0.9
68.19434	0.9
68.99818	3.9
69.03456	2.9
71.01385	8.0
71.71064	1.4
71.71455	1.5
72.99286	1.2
73.02949	11.8
81.03442	1.0
83.01399	1.6
83.05030	2.2
85.02936	2.0
87.00884	6.0
89.02457	1.5
89.72746	1.1
99.00875	6.7
101.02460	33.0
102.02760	1.3
105.01922	1.9
113.02429	1.1
115.00474	1.0
117.01945	1.2
121.02953	2.6
124.01718	1.7
125.02421	2.0
133.01465	2.3
143.03485	1.2
146.05592	0.9
154.25789	0.9
158.03754	1.9
159.04488	1.6
165.71759	1.1
169.15938	3.4
172.05281	5.0
179.14473	3.3
181.16022	8.8
183.17528	6.1
185.15469	12.0
193.15974	0.9
195.13870	5.9
195.17654	1.5
197.15477	33.3
198.15771	3.0
199.17003	1.9
200.04738	4.0
209.15475	100.0
210.15799	10.3
211.17036	1.9
225.15009	1.9
227.16335	1.2
237.14983	8.2
239.16502	6.7
241.18178	5.0
251.16557	3.7
253.14316	6.9
265.14447	20.2
266.14758	1.5
269.17542	35.9
270.17969	3.6
286.54068	1.1
295.15176	1.4
311.18607	3.8
313.18085	15.3
314.18091	1.7
357.16632	10.4
357.22885	2.0
357.26593	2.2
365.83505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91785	2.1
58.00607	2.6
59.01385	75.1
59.91961	1.9
61.98839	46.4
71.01391	50.9
71.69121	3.8
72.19039	2.1
73.02956	5.8
75.00898	5.4
78.95918	3.4
83.01380	3.5
85.02962	10.3
87.00883	7.6
89.02459	53.5
95.01414	4.9
96.96954	3.0
99.00917	4.3
99.53496	2.1
101.02467	25.3
108.02165	7.1
109.02952	6.7
112.98624	2.9
113.02470	18.7
119.03521	17.4
123.04536	5.4
135.04565	4.9
135.06667	21.1
135.42046	2.4
136.04034	5.2
143.03473	3.6
161.04585	9.7
165.04105	2.9
179.05653	21.4
182.97032	3.0
183.02974	3.0
257.07538	2.4
296.90363	2.6
297.11935	100.0
298.12207	8.4
357.10178	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	357.1195
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
54.53495	0.7
57.03440	0.8
58.00591	1.3
59.01382	40.4
59.52853	0.8
61.98829	0.7
69.65765	5.8
71.01389	20.0
72.99314	1.4
83.01418	1.3
85.02959	5.9
87.00877	1.6
89.02458	17.1
91.05552	2.7
93.03476	2.0
95.01418	1.4
96.95989	0.9
99.00895	1.0
99.06470	0.7
101.02463	12.6
108.02207	3.5
109.02943	2.7
113.02456	5.4
119.03528	6.7
119.05007	1.6
120.99672	1.0
121.02946	1.6
123.00948	0.9
123.04527	2.9
123.81824	0.7
124.01678	1.2
133.02963	0.9
133.06638	0.7
134.03761	2.1
134.04758	1.1
135.04544	14.7
136.05344	6.8
137.02428	1.2
143.03586	0.9
150.03296	0.8
151.04080	3.3
151.07681	2.0
152.01181	1.0
153.01958	0.9
161.02458	3.0
161.04562	1.1
162.03249	61.3
163.03688	4.6
173.04558	3.0
177.05592	100.0
178.05946	5.0
179.03517	2.0
179.05658	1.3
180.04268	1.2
191.05617	3.1
193.04977	0.9
195.06650	69.3
196.06979	5.0
270.05988	0.8
300.43277	0.7
357.08115	1.7
357.11945	7.2
358.12253	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	356.2232
Annotation	Calyciphylline B
Peak:m/z	Relative Intensity
55.01878	0.5
59.01371	1.5
60.88069	0.5
61.98838	1.1
69.03461	23.1
70.02975	0.9
71.01361	0.6
71.05026	1.3
79.86228	0.4
80.02684	1.1
81.03477	1.2
83.05047	1.6
97.06633	0.6
98.02494	0.5
101.06059	0.5
116.92924	0.5
119.92034	0.4
121.02993	1.2
123.00938	0.7
124.00434	3.3
131.03818	1.0
132.04118	0.5
153.12874	5.1
174.09238	0.9
178.16020	0.6
179.12912	0.6
179.14418	4.7
181.15999	11.2
184.01390	0.5
195.13976	0.7
196.17102	2.3
196.28462	0.5
197.15433	1.0
197.17427	0.7
202.05237	0.5
202.08742	1.6
209.15419	1.1
212.68433	0.6
224.16583	1.7
224.44824	0.5
229.07610	0.6
230.08000	0.6
236.16583	1.1
237.14958	0.6
243.49130	0.5
252.16052	22.9
253.16368	2.1
258.02274	0.5
261.06378	1.0
356.22318	100.0
357.22751	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	355.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
55.82187	0.9
57.03453	0.9
59.01371	3.1
61.98832	18.0
67.01893	1.5
69.03455	5.3
70.22649	1.7
70.23073	2.3
71.01378	1.8
72.99328	1.9
78.95896	1.7
81.03468	0.9
83.01378	3.6
83.05018	0.9
85.02950	6.9
87.00854	1.2
93.03426	1.9
93.19340	0.8
95.05063	1.0
97.02966	0.8
98.20515	1.0
108.02188	2.5
111.00894	6.3
113.02439	4.6
115.00370	1.5
118.04833	0.7
119.03517	9.5
121.02965	2.9
124.01667	1.6
133.02917	1.2
139.00328	1.1
143.35661	0.8
149.00121	3.2
152.01147	2.1
153.12898	2.0
155.14436	0.9
159.02980	2.3
161.02470	3.0
166.95529	0.7
173.04538	0.8
175.15007	1.2
179.14381	3.8
181.15994	17.7
182.16350	1.9
183.01242	2.1
191.03468	1.5
191.05469	1.6
193.06291	1.0
193.15952	3.5
195.13899	2.0
195.17458	0.9
196.17097	1.2
197.15489	2.4
205.15979	3.5
209.15474	9.3
221.15501	4.9
222.15926	0.9
224.16487	0.9
225.14818	1.0
231.17410	1.1
235.13356	5.1
236.13879	1.0
237.14961	11.2
238.15178	1.0
239.16544	2.4
247.13278	0.9
249.14928	4.5
249.18625	1.5
253.14487	2.6
265.14441	17.8
266.14856	1.4
267.15906	3.0
293.13947	100.0
294.14273	11.7
309.17017	2.1
337.16650	0.8
355.16751	6.5
355.20303	1.8
355.24530	1.7
356.17377	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	356.2234
Annotation	Calyciphylline B
Peak:m/z	Relative Intensity
53.49580	0.3
55.01891	0.5
56.23742	0.3
57.01870	0.3
57.03438	0.5
57.73328	0.3
59.01096	0.3
59.01374	1.0
59.61335	0.3
61.98832	4.6
69.03461	26.7
70.02979	2.0
70.03800	0.7
70.54987	1.2
71.01385	0.4
71.05031	1.5
80.02692	1.3
81.03479	0.9
82.03017	0.5
83.05024	0.9
83.67260	0.3
84.04548	0.9
85.02976	0.4
91.05550	0.3
95.05042	0.5
98.02493	0.9
108.58797	0.3
116.05118	0.4
121.02967	0.9
123.00849	0.5
124.00435	3.5
125.07150	0.3
125.09696	0.3
135.04480	0.4
145.97003	0.3
151.11304	0.7
153.12880	7.5
154.13191	0.3
168.13983	0.3
169.08736	0.4
169.15924	0.3
172.05316	0.4
174.09306	0.5
178.16000	1.8
179.14423	7.0
180.14821	0.3
181.16010	12.6
182.16400	0.9
194.15578	0.7
195.14037	0.3
196.17061	3.5
197.15562	0.3
202.08765	2.1
209.15424	1.2
216.06586	0.4
220.17065	2.5
222.15262	0.4
224.16621	4.4
225.15024	0.4
225.17035	0.3
229.07442	1.0
234.15045	0.9
235.13342	0.4
236.16599	1.3
250.14546	0.5
252.16057	53.4
253.16394	4.9
261.06390	1.0
279.20880	1.6
311.13846	0.3
312.23157	1.3
313.17926	0.6
323.19800	0.6
356.22330	100.0
357.06113	0.5
357.22668	13.4
379.14734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
54.32717	0.4
58.00587	0.3
59.01087	0.7
59.01378	8.3
71.01385	4.7
71.27170	1.2
72.99335	0.4
84.04209	0.4
85.02957	1.2
89.02457	3.2
90.98126	0.5
93.03493	0.4
101.02477	2.4
108.39738	0.3
113.02462	1.4
119.03522	0.9
127.32495	0.4
132.02197	12.4
133.02477	0.5
134.03766	9.8
135.04523	0.7
147.04585	0.5
149.06120	2.0
160.01685	61.6
161.02048	3.2
173.04550	0.6
175.04030	100.0
176.04372	6.5
178.02715	0.5
191.05803	2.1
191.06924	2.0
192.05984	1.1
193.05023	16.9
194.05385	0.7
202.02730	1.0
207.06607	0.5
217.05058	6.4
218.05467	0.6
235.06058	2.8
265.07263	0.5
295.08200	2.1
325.71518	0.5
355.10388	7.3
356.10727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.47297	0.6
56.21757	0.5
58.00555	0.7
59.01382	8.8
59.80674	0.6
69.39750	6.5
71.01387	5.0
77.38757	0.6
85.02959	2.2
86.68202	0.6
89.02448	2.9
89.31913	0.7
89.50614	0.6
93.03482	2.0
98.19901	1.3
101.02464	1.7
108.02187	0.6
113.02481	1.8
119.03529	1.0
132.02214	13.0
134.03786	8.6
135.04509	2.5
137.02469	0.7
137.04956	0.7
145.02950	0.9
149.06090	2.0
160.01686	64.8
161.02109	3.9
173.04549	1.9
174.03174	0.6
174.04955	0.6
174.74364	0.5
175.04031	100.0
176.04370	7.0
178.02731	0.9
179.03624	1.0
180.03937	0.6
191.05635	4.3
191.07230	1.7
192.05954	3.1
193.04988	17.7
194.05449	0.7
217.05064	6.0
235.06181	2.3
265.07202	0.9
295.08264	1.5
319.14047	2.3
355.10364	8.3
356.07141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
57.57629	0.5
59.01365	1.1
62.88083	0.6
65.13398	0.6
69.82200	1.1
69.82612	2.8
71.01342	0.7
85.02950	3.0
93.03437	1.2
94.33520	0.5
97.05997	0.6
98.17702	0.6
111.00880	0.6
121.02939	0.9
127.03889	0.8
132.02159	0.7
133.02988	1.2
134.03767	54.8
135.04028	2.7
137.02469	6.8
139.03946	1.8
145.47279	0.6
149.06107	16.9
150.03180	1.0
150.06369	0.7
160.01674	5.5
175.04018	8.4
178.02736	31.7
179.03000	2.5
191.05647	19.6
192.05989	14.6
193.04932	100.0
194.05295	7.4
201.97621	0.5
205.93668	0.6
355.09293	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	354.1924
Annotation	2'-Acetylheliotrine
Peak:m/z	Relative Intensity
51.22386	0.3
64.62753	0.4
65.84026	0.4
66.03484	0.9
68.01411	3.6
70.02985	16.9
70.72452	1.4
74.22435	0.4
82.21465	0.4
83.05054	0.4
84.04558	0.5
95.50950	0.4
96.00922	1.4
98.19801	0.6
98.94798	0.4
100.04062	1.5
110.06122	0.5
112.04072	4.2
112.07697	4.6
123.52892	0.4
138.05608	1.5
153.12849	1.3
155.14487	0.5
156.06682	6.3
178.16040	2.5
179.14415	6.7
180.14853	0.5
195.13989	0.7
196.17081	2.0
197.15488	48.0
198.15865	3.4
206.32484	0.4
222.15031	0.6
224.16576	100.0
225.16905	8.7
238.21945	0.8
250.17911	0.7
266.21246	34.7
267.21552	3.9
285.47382	0.4
310.20248	23.2
311.20590	2.8
354.19220	8.0
355.19662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.9
59.01372	3.3
66.03485	1.6
69.03444	1.5
70.38551	1.7
70.38958	2.7
78.67074	0.9
82.02994	4.4
82.06634	1.3
83.05052	1.0
84.04563	10.9
84.08207	8.3
85.02961	1.0
92.05094	1.6
94.02999	6.8
100.04066	14.6
108.04567	1.2
110.06133	35.8
110.55785	0.9
111.06486	1.6
112.04061	2.2
112.42902	0.9
128.07201	65.8
129.07565	1.4
131.33395	0.9
147.32271	0.8
179.14578	1.1
181.16002	10.2
190.72353	0.9
192.05962	1.2
197.19144	9.0
207.17595	21.5
208.17967	2.3
209.19154	5.3
215.92816	1.2
222.18648	4.2
224.20213	70.6
225.20561	6.3
235.20607	1.3
237.22264	3.4
248.20181	6.7
249.22079	1.3
250.21855	2.0
266.24887	57.8
267.25159	6.3
268.22739	1.6
292.22842	19.8
293.23132	2.8
310.23886	100.0
311.24197	11.3
336.21805	47.1
337.22095	5.8
354.22888	46.8
355.23285	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	353.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
57.27715	0.3
58.00663	0.4
58.02972	1.3
59.01376	2.4
60.99327	0.4
67.01873	1.0
68.01415	2.2
68.99794	0.5
69.03440	1.8
70.02986	14.0
71.01388	1.6
71.70968	0.6
71.71374	0.5
73.12656	0.3
81.03439	0.4
82.02982	1.5
83.05025	0.7
84.04574	2.4
85.02963	3.9
87.00873	0.9
93.03473	5.5
94.03000	4.1
96.00937	1.0
97.04058	0.5
98.02499	0.9
99.02811	0.5
99.05651	3.7
109.02979	0.9
110.06133	5.0
111.00876	0.5
111.04517	1.3
111.05650	1.2
111.06418	0.4
112.07700	3.1
122.02462	0.6
127.04023	0.9
127.08773	0.9
127.20631	0.4
134.03722	0.8
135.04541	14.7
136.04865	1.1
137.02478	1.0
137.07220	1.4
138.05615	3.6
153.12906	1.8
155.03484	0.8
155.08287	8.5
155.14412	0.9
161.02446	1.6
169.15999	1.3
170.15469	2.3
171.13921	0.5
173.04573	13.2
174.04953	0.7
178.16029	0.9
179.03516	15.4
179.05112	0.8
179.14455	5.5
180.03845	1.0
180.14723	0.6
181.15927	0.8
185.06490	0.6
191.05630	46.5
192.05975	2.9
193.15916	0.5
194.15433	0.6
195.13943	4.0
196.14209	0.5
196.17056	3.5
197.15485	19.9
198.15796	1.6
206.15538	0.5
209.15468	1.2
211.17055	0.7
220.17012	1.8
221.15437	0.5
222.15021	1.3
223.17033	0.9
224.16571	48.4
225.16919	3.9
226.18098	1.6
235.13376	1.3
235.17062	2.1
237.14986	1.2
238.18150	1.6
238.21758	3.1
239.18753	0.4
247.16977	0.6
248.19998	0.5
249.15001	0.5
250.18086	1.7
264.16870	0.7
264.19662	11.0
265.14243	0.6
265.20047	1.2
266.21259	7.0
267.21487	0.7
279.16119	0.6
281.22412	1.1
291.20755	0.8
292.19199	1.3
293.14011	4.1
309.21838	100.0
310.22186	10.7
325.16629	1.0
353.08939	4.2
353.16058	3.3
353.21100	3.5
354.09372	0.8
357.20691	0.6
377.01605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
57.03463	1.9
59.01391	6.0
61.98819	1.7
63.95068	1.1
65.00353	1.6
67.01892	2.5
68.99831	9.2
69.03459	11.9
70.77402	3.1
70.77749	1.1
71.01387	19.9
81.03458	3.6
83.01389	11.6
83.05019	1.2
85.02966	17.4
87.00882	1.5
93.03458	6.6
93.71202	1.0
95.01397	3.5
97.02969	4.4
99.00893	1.4
99.04511	1.1
107.05050	1.3
108.02169	2.0
109.02997	2.4
111.00875	2.4
111.04527	1.5
113.02477	10.8
123.00902	4.2
124.01721	1.8
125.02482	6.3
127.04072	1.5
134.03789	1.3
135.04539	21.5
136.01704	1.8
136.04834	1.3
137.02441	1.2
141.01944	3.3
152.01205	2.0
153.01973	2.7
155.03477	2.0
156.22610	1.0
161.02478	2.4
168.00575	1.9
173.04576	18.8
174.04889	1.6
179.03526	23.2
179.05112	1.7
180.03932	1.4
181.16020	3.8
183.17616	2.4
185.15462	2.0
191.05637	64.6
192.05965	2.5
197.19113	4.0
199.17082	3.3
207.17500	3.2
209.19093	10.1
221.19189	1.6
223.15062	1.8
223.17058	21.0
223.20544	1.3
224.17303	3.1
225.18610	100.0
226.18979	10.1
237.18620	3.5
249.18561	2.7
251.16537	22.6
252.17006	1.4
261.18777	1.2
263.20132	3.4
265.18094	8.7
267.19531	1.2
277.18167	7.0
279.16238	1.0
279.19614	3.6
289.17599	1.4
293.17575	15.5
294.17899	1.9
295.19135	22.5
296.19382	3.4
305.17593	54.9
306.17813	6.6
307.19208	18.3
308.19516	2.8
323.18643	37.7
324.19037	5.5
335.18665	27.5
336.18890	4.5
353.08780	8.0
353.19614	17.7
354.19952	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	353.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93023	1.1
51.34478	1.0
55.01888	11.8
57.03445	1.3
59.01381	15.5
61.93469	1.1
64.75611	1.2
65.03964	1.9
67.01903	9.5
68.99828	11.4
69.03451	4.3
69.77229	6.4
71.01397	12.2
72.99303	7.3
73.02962	12.3
80.02673	5.7
81.03483	6.3
81.10834	1.1
82.78685	1.1
83.01395	4.2
83.05020	3.8
85.02964	6.1
85.63824	1.5
87.00885	3.5
87.19669	1.1
89.02438	5.2
93.03474	24.3
95.01406	19.9
97.11563	1.1
97.71175	1.1
99.00897	11.8
106.04243	8.4
107.05019	2.9
108.02197	41.0
109.02936	5.1
111.00870	2.6
111.03884	1.5
111.04539	14.9
112.98838	9.5
115.00364	3.2
117.01981	8.8
119.05058	1.3
121.02981	7.9
122.03793	7.2
123.00954	2.6
123.04527	2.5
124.01682	3.5
125.02440	1.7
127.03984	1.8
129.02016	2.0
133.02959	1.6
134.03770	2.0
135.04556	22.5
136.01685	47.9
137.02493	8.5
138.03294	1.8
149.02429	3.6
149.13347	1.5
150.03227	5.4
152.99591	1.9
153.12802	1.9
155.03528	10.2
161.02449	1.4
163.14879	3.5
165.12836	1.5
173.00868	1.3
173.04573	13.0
174.01727	21.1
175.02330	2.2
175.14914	1.8
177.16464	1.4
179.03539	17.2
179.14433	35.7
180.14693	1.8
181.16010	14.2
183.01270	3.1
187.60724	1.3
191.03981	2.5
191.05653	46.8
191.14421	7.7
192.06009	2.1
193.16049	13.8
194.16330	1.7
195.13914	2.4
197.15479	6.4
203.14288	4.0
205.15997	30.4
206.16306	2.6
207.13918	12.1
207.17509	3.3
209.15489	12.5
217.15892	1.6
219.13808	6.8
219.17525	1.9
220.14471	2.5
221.15489	52.7
222.15768	5.3
223.13246	1.8
224.16530	2.2
231.13820	1.5
233.15770	1.1
234.89137	1.4
235.13405	77.4
235.16805	7.0
236.14012	13.2
237.14909	15.3
238.15450	2.0
247.13293	1.8
247.16948	4.4
249.14967	100.0
250.15308	9.9
251.12868	1.3
251.16516	2.8
253.14395	2.4
261.14941	2.5
263.16486	3.1
265.14474	19.7
266.14697	2.3
279.16000	3.6
281.13699	1.4
291.15894	5.1
293.14056	9.1
297.16971	1.5
302.66510	1.2
309.17114	26.5
310.17426	2.9
325.16586	59.8
326.16852	6.5
339.01184	1.3
353.08658	4.7
353.15958	52.3
354.16144	6.5
366.46167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96494	0.9
57.03453	2.1
59.01385	16.0
67.01896	2.8
69.03436	1.1
71.01382	16.5
71.69410	1.4
73.02954	16.4
76.84160	0.8
77.76756	0.9
81.03481	2.0
83.05041	5.0
85.02959	9.8
87.00909	3.8
89.02463	17.9
93.03471	49.7
93.14484	0.8
94.03818	1.5
99.00905	5.7
99.04531	5.0
101.02457	4.8
101.16818	0.9
106.81291	0.7
109.02991	2.9
111.00868	2.2
111.04535	21.0
112.04906	1.1
112.98854	2.2
113.02467	4.7
114.10809	0.9
119.03519	2.5
127.04036	1.7
129.01971	2.7
131.03529	1.6
134.03755	1.6
135.04549	21.7
136.04860	1.8
137.02467	13.5
142.99980	1.0
143.03549	5.9
153.01920	1.2
155.03560	9.0
161.02467	2.7
161.04607	1.9
173.04575	100.0
174.04953	6.5
179.03511	20.9
179.05659	7.2
180.03983	1.0
191.05637	53.6
192.05956	3.3
199.85432	1.0
202.86913	0.8
213.84875	0.9
243.06612	2.5
244.06621	1.3
266.06198	3.6
271.09616	1.1
353.01886	0.9
353.08643	13.4
353.59055	2.6
354.09225	1.2
354.84341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.19469	0.3
59.01373	0.7
60.65058	0.3
64.41688	0.3
69.80712	0.7
69.81123	1.3
71.01376	0.4
71.94446	0.2
72.09676	0.3
80.07127	0.2
85.02962	4.1
87.00890	0.6
90.36405	0.3
93.03469	2.1
106.73558	0.3
109.02970	0.3
111.04557	0.4
127.04003	1.3
133.02977	0.5
135.04529	1.3
148.51498	0.3
161.02466	1.9
161.32462	0.3
171.03056	0.4
173.04607	2.2
179.03499	1.9
188.87680	0.3
191.05627	100.0
192.05969	4.0
196.75777	0.3
210.16292	0.3
225.18668	0.3
323.86652	0.3
339.05286	0.4
340.05444	0.6
353.08691	2.3
354.09558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0882
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
50.04219	0.3
51.26010	0.3
57.03440	0.4
57.61903	0.3
59.01381	1.9
67.01879	1.0
69.03453	0.3
70.07929	1.7
71.01369	1.1
73.02944	0.5
78.95930	0.7
79.05559	0.3
81.03464	0.4
82.89329	0.3
83.01371	0.6
83.05019	0.7
84.28851	0.3
85.02963	6.9
87.00895	1.5
93.03468	6.6
94.03767	0.4
98.20657	0.4
99.00862	0.4
99.04541	0.5
107.05022	1.0
108.02193	0.3
109.02974	1.0
111.04546	2.3
116.70030	0.3
126.83614	0.3
127.04035	2.4
133.02979	1.1
134.03770	3.5
135.04550	42.8
136.04878	2.0
136.57117	0.3
137.02498	1.0
152.99644	0.8
155.03532	2.0
161.02469	2.9
162.02867	0.5
171.03056	0.6
173.04568	13.4
174.04869	0.9
179.03522	39.2
180.03859	2.3
191.05635	100.0
192.05980	5.6
207.85838	0.4
229.56618	0.3
275.47910	0.3
280.09900	1.3
353.04086	0.5
353.08881	11.9
354.09085	1.4
368.03574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.57166	0.5
57.03447	0.8
59.01364	1.1
67.01894	3.0
67.63770	0.5
68.01798	0.5
69.03460	1.3
70.47373	2.3
70.76981	0.5
70.90092	0.5
71.01384	1.9
81.03445	0.8
83.05054	0.9
85.02964	5.7
87.00897	0.9
93.03467	16.5
94.03777	0.9
107.05068	0.7
107.28111	0.5
109.02950	1.6
111.00912	0.5
111.04533	3.7
127.04021	0.7
133.02975	1.3
134.03775	2.5
135.04541	48.0
136.04858	1.9
137.02458	3.8
155.03506	5.4
158.18581	0.6
161.02454	2.4
173.04568	100.0
174.04962	4.3
179.03513	69.5
180.03867	4.3
191.05635	36.6
192.05988	1.9
213.75952	0.6
353.08783	22.8
354.09219	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	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67724	0.3
51.87194	0.3
59.01373	0.6
67.01892	0.4
69.59963	0.3
70.00233	0.6
70.00634	1.0
71.01402	0.4
73.02897	0.3
85.02962	5.6
87.00890	0.9
93.03462	3.0
93.31161	0.3
107.67999	0.3
109.02962	0.5
111.04573	0.6
124.52968	0.3
126.65044	0.3
127.04051	1.1
135.04553	4.9
155.03491	0.4
161.02489	1.7
173.04573	11.4
174.04916	0.6
179.03522	9.2
180.03857	0.4
191.05629	100.0
192.05980	5.0
225.36615	0.3
316.69196	0.3
353.08801	5.2
354.09189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.55841	0.4
59.01370	0.6
60.48533	0.4
70.72515	1.0
73.13123	0.4
75.72151	0.4
81.56220	0.4
85.02957	4.3
87.00881	0.8
93.03476	2.8
107.05062	1.0
109.02924	0.6
111.04515	1.8
117.03526	0.5
127.04032	1.1
134.03763	3.5
135.04549	39.4
136.04878	1.6
143.22467	0.4
149.78798	0.4
155.03510	1.3
161.02470	3.7
173.04568	4.8
174.04971	0.6
179.03519	67.1
180.03876	3.6
181.85008	0.5
189.94957	0.4
191.05632	100.0
192.05954	5.1
330.45978	0.4
342.94766	0.5
353.08801	33.8
354.09213	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	352.9451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81773	0.2
58.44984	0.3
59.01382	100.0
60.01727	1.5
60.02000	0.3
71.70488	0.4
71.71234	0.3
78.95918	0.5
78.98507	0.3
107.58673	0.3
156.99104	42.0
157.99445	1.5
202.94244	0.8
255.23309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
59.01390	0.7
59.97372	0.2
60.40916	0.3
63.60035	0.3
67.01876	0.3
70.19582	1.3
71.01397	0.6
81.03473	0.2
83.05057	0.5
85.02960	5.3
85.03448	0.5
87.00890	0.9
91.05558	0.3
93.03472	3.0
107.05042	1.0
109.02969	0.7
111.04545	1.7
112.79282	0.3
117.03514	0.5
117.66599	0.3
126.80730	0.2
127.04024	1.4
129.02016	0.3
133.03030	1.3
134.03783	3.5
134.86557	0.3
135.04553	48.4
135.19547	0.2
136.04868	3.0
137.02490	0.5
141.99478	0.2
155.03545	1.2
161.02495	3.3
171.02959	0.3
173.04582	3.6
173.66043	0.3
174.04929	0.3
179.03525	58.6
180.03845	3.4
191.05637	100.0
192.05978	4.8
249.52892	0.2
277.67657	0.3
353.08804	21.1
354.09229	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	351.9611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68707	1.8
59.01390	17.1
61.98837	100.0
63.99271	5.0
64.14559	1.9
65.40052	2.1
68.01417	3.3
70.60251	6.9
76.26653	2.5
89.91607	1.9
110.63181	2.0
113.50961	2.0
122.30157	1.9
125.32979	2.1
135.04588	3.4
176.32301	2.0
179.03476	2.6
191.05602	7.8
206.97412	10.7
207.97581	31.3
208.92929	2.1
208.97226	56.9
209.94960	5.1
209.97748	7.5
210.92790	2.8
210.97739	2.8
211.00835	2.6
220.07228	1.9
278.49524	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	352.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00335	0.2
56.12734	0.2
59.01385	1.1
61.98815	0.4
64.30018	0.2
65.00330	0.2
65.19131	0.2
67.01897	0.2
68.99815	0.2
69.03451	0.3
71.01373	0.3
71.72122	0.3
72.00920	0.2
78.95894	0.3
80.05065	0.3
81.02205	1.3
81.03455	0.2
82.02993	5.3
83.01384	0.2
83.03326	0.1
85.02949	1.0
87.00882	0.3
92.01414	0.9
93.03469	1.2
96.00936	0.2
108.04578	0.6
108.08215	0.6
109.01708	2.3
109.02956	0.3
110.02493	6.7
111.00853	0.2
111.04515	0.3
123.03284	1.3
124.00414	0.7
125.01212	0.4
126.05607	0.4
133.02995	0.2
134.03767	0.4
135.04556	3.1
137.01341	0.2
137.02472	0.4
137.03831	0.1
137.04840	4.4
138.01999	0.2
152.99591	0.5
153.12836	0.2
155.14458	0.4
161.02457	0.3
165.04306	0.8
173.04588	2.9
175.06340	0.4
179.03510	3.2
179.14383	0.7
181.16035	1.0
181.17401	0.2
183.01201	0.6
185.68715	0.2
191.05621	9.6
195.13829	0.9
205.16086	0.3
218.19186	0.4
219.13904	0.2
220.17152	0.6
235.13411	0.3
235.17149	0.4
236.16527	1.1
236.20039	1.2
237.14931	0.4
246.14977	0.6
246.18629	0.2
247.17015	0.3
249.14958	0.3
250.14502	0.4
264.16028	100.0
265.16367	9.8
272.16693	0.3
283.23059	0.2
290.17636	1.6
290.21255	2.7
293.13947	1.1
304.41949	0.2
308.18887	0.2
308.22076	0.3
339.05206	0.3
352.17636	3.4
352.21912	0.3
353.08685	1.0
353.18146	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	351.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24613	0.3
57.03453	1.8
58.45924	0.3
59.01377	3.3
69.62412	3.2
85.02971	0.4
98.03747	7.3
109.17225	0.4
133.02997	1.0
153.12878	4.8
169.14987	0.3
169.16010	3.6
171.13916	2.8
172.14445	0.4
173.04770	0.5
197.15491	100.0
198.15845	7.8
202.79012	0.4
207.46750	0.3
213.65602	0.4
229.22639	0.3
231.10333	0.4
307.30182	0.8
309.28064	3.8
310.28403	0.7
333.28076	0.4
351.29068	59.3
352.29404	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	350.1976
Annotation	Stemonidine
Peak:m/z	Relative Intensity
56.83518	0.2
59.01393	1.3
61.98826	0.4
67.48339	0.2
71.40314	0.3
73.13310	0.2
81.02216	2.0
93.03477	0.2
97.01743	0.3
108.00905	0.6
108.04576	0.8
109.01717	3.0
110.02532	0.3
119.03737	0.5
123.03286	1.0
123.06907	1.2
124.00443	0.6
124.07714	2.6
125.01192	0.8
133.02940	1.2
134.06166	0.4
136.04060	3.1
146.09804	0.3
149.02463	0.6
150.05647	0.6
151.06413	2.6
151.14830	0.2
152.07216	3.8
161.84946	0.3
164.03587	0.7
164.07156	1.8
164.83774	0.2
165.07964	0.9
166.05069	0.4
173.04521	0.6
177.02075	0.4
178.05122	0.6
179.09534	2.6
191.05562	0.4
220.09872	0.3
235.15779	12.9
236.16162	1.3
244.58669	0.2
250.14595	1.4
262.18204	0.3
263.15207	2.1
264.15854	0.3
269.21729	0.2
278.21146	1.1
288.19638	0.4
290.17621	11.6
291.18063	1.4
303.16000	1.0
305.16330	0.3
306.20761	100.0
307.21097	12.0
322.16727	0.3
323.17374	2.0
350.19775	10.2
351.20044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38777	0.5
57.56554	0.5
58.91887	0.4
59.01393	2.2
61.98824	0.9
63.42071	0.4
66.01396	0.4
71.01383	4.9
71.70551	0.8
80.05069	9.7
93.03470	0.7
108.02179	0.6
115.00393	7.0
121.05329	0.6
123.04582	0.7
133.02992	2.8
173.04509	2.2
177.01971	1.3
208.11163	0.4
234.18634	100.0
235.18983	8.8
278.18433	1.3
304.16397	1.5
306.20776	13.6
307.21045	1.7
350.16379	0.6
350.19891	9.0
351.20334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.52251	0.7
56.90038	0.6
57.03428	1.2
58.00587	0.8
59.01385	27.5
61.98819	2.1
71.01389	18.6
71.70268	1.1
72.99311	2.8
73.02967	1.0
83.01408	1.5
85.02962	4.9
87.00863	1.5
89.02455	13.3
101.02459	12.5
113.02471	6.3
119.03526	4.7
139.11392	0.7
141.12888	26.3
142.13176	1.7
143.03566	0.9
143.41415	0.7
152.99625	1.2
167.93730	0.7
169.12411	5.3
171.13901	1.1
179.05682	0.7
183.13962	1.6
184.18025	0.7
187.13431	51.9
188.13815	4.2
229.14322	1.1
236.42888	0.7
329.24243	0.8
349.18695	100.0
350.19000	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	349.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13086	0.4
51.74229	0.4
57.03436	0.9
70.71425	1.0
70.71790	1.0
70.77774	0.4
79.95752	0.5
83.05034	1.3
95.05048	1.5
97.06610	3.6
107.05040	0.7
115.01029	0.4
123.04523	0.9
137.09712	1.2
147.11794	1.3
153.12877	0.8
155.14424	0.8
165.12883	13.2
166.13136	0.8
169.16034	2.6
171.13939	12.0
172.14301	0.6
177.12895	3.5
195.13925	10.4
196.14165	0.7
197.15498	1.4
207.13927	0.5
209.11877	1.0
210.16284	1.2
223.20854	0.5
233.19092	0.5
234.28159	0.5
249.18552	1.4
255.91429	0.4
261.18518	0.5
291.26990	1.4
301.25296	1.3
319.26593	2.2
331.26501	1.0
349.27505	100.0
350.27838	15.5
355.66748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
59.01378	1.7
65.03970	1.0
67.01897	0.5
71.01397	1.0
71.71471	0.9
73.02956	2.4
81.03465	1.9
83.05038	5.6
85.02974	0.9
89.02475	0.6
89.03977	1.0
93.03472	41.2
94.03809	1.4
95.01389	1.3
97.02969	0.5
99.00909	0.5
99.04544	0.7
101.02492	0.7
106.04232	0.4
109.02953	1.1
111.03800	0.8
111.04547	14.0
117.03503	3.0
119.04939	0.5
121.02961	0.6
122.06152	0.6
132.02211	2.5
133.02942	1.6
134.03763	79.9
135.04012	3.0
137.02469	35.3
138.02809	2.0
139.04036	1.4
143.03435	0.5
149.04892	0.8
149.06102	14.1
150.06429	0.9
155.03534	27.2
156.03853	1.2
160.01677	12.6
161.02216	1.2
173.04613	2.5
174.08833	0.4
175.04031	8.9
178.01201	1.0
178.02745	17.2
179.03378	1.7
180.87944	0.5
191.05620	0.5
193.05081	100.0
194.05386	6.8
210.04205	0.8
219.13922	0.5
227.07143	0.7
233.08333	0.5
245.82651	0.4
246.25636	0.5
250.84973	0.4
320.14771	0.7
349.05228	1.0
349.09302	12.0
349.13550	0.8
349.18671	1.0
350.03687	0.4
350.09656	1.9
350.15985	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	348.9865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12317	0.2
59.01392	0.3
61.98833	100.0
62.98574	0.3
63.63100	0.2
63.99257	0.3
67.71096	0.2
69.96969	1.0
98.19964	0.4
112.07554	0.2
120.46994	0.2
158.50237	0.2
162.98508	1.6
164.96429	0.4
197.33020	0.2
204.00005	0.4
205.00081	0.7
205.99818	0.8
206.97462	80.5
207.97572	7.0
216.42421	0.2
244.60275	0.2
245.75262	0.2
257.74841	0.2
263.42517	0.2
306.51718	0.2
308.50528	0.2
313.78250	0.2
348.98688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98832	15.4
65.00319	1.0
71.01404	0.6
71.28881	0.7
78.92234	0.4
82.38043	0.3
83.01389	0.9
107.01430	2.6
112.18850	0.4
121.02942	0.4
125.43284	0.4
126.96088	0.4
133.02975	14.1
134.03325	0.4
140.84323	0.3
149.02501	2.4
151.00383	5.8
171.04486	0.6
175.04034	2.9
198.03244	0.5
199.03975	2.9
201.01935	0.9
215.03632	0.6
217.05060	1.3
229.05016	0.4
241.05038	0.9
243.03003	0.8
285.04053	100.0
286.04379	11.4
365.72931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49620	0.4
58.78324	0.4
59.01387	0.9
61.98836	100.0
71.69532	0.4
102.76418	0.4
114.48551	0.4
198.15878	0.7
268.03735	2.1
283.06024	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	345.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	11.5
57.24084	1.2
58.13341	1.2
59.01373	9.7
60.88474	1.1
68.99821	13.2
69.03455	2.7
71.01386	12.1
71.52015	2.4
72.99329	2.4
73.02951	39.7
74.03256	1.5
75.00883	4.0
83.01395	5.0
84.02160	1.8
85.02959	32.3
87.00880	13.8
89.02456	5.0
99.00890	4.9
101.02467	13.8
108.02151	1.2
113.02455	22.8
115.00382	3.6
116.76456	1.1
123.00881	1.3
125.02477	5.3
129.01970	4.7
135.03011	4.4
140.81300	1.1
147.03024	3.7
153.12907	2.4
155.14442	5.6
160.20219	1.1
160.27713	1.1
169.16013	33.2
170.16315	3.1
171.13928	54.2
172.14282	4.1
173.04619	1.6
178.48535	1.2
181.15999	5.4
185.15446	6.2
191.05588	2.4
192.98140	1.3
193.15959	2.1
195.12239	2.4
195.13924	28.9
195.17572	4.6
196.14284	2.9
197.15486	100.0
198.15805	9.1
209.15482	10.9
210.15808	1.9
215.57855	1.1
223.17007	1.4
225.14969	7.6
227.16534	63.1
228.16861	4.9
237.14952	22.8
238.15359	2.1
239.16541	18.9
240.16811	1.4
255.16014	45.7
256.16364	5.1
267.16016	26.0
268.16327	3.4
279.16061	1.5
285.17050	3.5
327.18060	2.8
345.19189	17.4
346.19504	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12844	0.3
53.37306	0.3
59.01376	1.0
61.98834	100.0
70.08652	0.6
70.09055	1.4
150.56714	0.4
162.89366	2.2
165.01855	0.3
257.16974	0.4
274.15292	0.3
345.17075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87146	0.1
58.59433	0.2
58.77134	0.2
59.01381	5.5
59.18831	0.1
60.01723	0.6
61.98833	100.0
62.32066	0.2
62.98552	0.2
63.58310	0.1
70.13851	0.3
70.14253	0.8
98.20767	0.2
111.42377	0.2
150.10799	0.2
159.01508	0.2
159.03333	0.2
196.94691	0.2
200.90567	0.2
201.02525	1.0
202.02711	2.4
203.02280	2.9
204.00009	48.0
205.00151	4.5
279.38690	0.2
346.01193	1.1
347.01239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88733	1.6
55.63007	1.9
57.03454	11.7
59.01383	10.5
61.98832	4.5
64.88758	1.9
68.99817	5.1
69.03427	1.6
69.91219	11.3
71.01397	8.6
73.02957	60.4
85.02974	18.0
87.00907	4.3
89.02470	2.3
96.57416	1.8
99.00894	7.9
101.02483	4.6
111.00913	2.8
121.03043	1.8
129.01984	5.7
139.22543	1.8
153.12849	1.9
155.14433	3.3
169.14589	2.8
169.16017	57.7
170.16318	4.8
171.13954	55.0
172.14232	2.6
181.16090	4.5
185.15480	4.0
195.13922	35.5
196.14153	2.3
197.15514	18.2
209.15524	8.9
225.14970	3.9
227.16560	100.0
228.16896	10.7
237.14981	5.3
239.16476	9.9
240.16922	2.2
255.16032	36.8
256.16269	3.1
283.85791	1.9
345.17471	2.2
346.19876	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	345.1557
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
55.01878	0.8
57.03450	1.3
58.00583	1.7
59.01381	45.3
68.63274	0.8
69.03441	0.8
71.01385	26.4
72.99313	4.0
73.02955	0.8
83.01395	2.1
85.02962	5.4
87.00863	1.6
87.03140	0.7
88.30805	0.7
89.02454	23.3
93.03439	0.8
95.01404	2.1
99.00897	1.0
101.02460	16.4
113.02453	9.1
113.42267	0.8
119.03524	10.7
119.08630	1.0
120.03836	0.9
121.10252	33.4
122.10586	1.6
131.03473	1.1
137.09724	8.2
139.37888	0.7
141.82489	0.7
143.03462	1.9
149.04462	0.7
165.09229	56.8
166.09608	3.3
179.05659	0.9
183.10280	32.0
184.10603	2.7
205.31042	0.7
215.11102	0.8
225.11249	1.0
236.46950	0.7
345.15552	100.0
346.15900	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	345.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37376	1.2
54.26087	1.4
57.03458	1.7
58.00591	3.0
59.01384	61.0
61.98799	1.6
65.03966	6.9
65.04259	1.3
67.01908	2.5
70.90952	1.9
70.91288	3.1
71.01389	44.3
72.99311	2.3
73.02967	1.6
74.76854	1.4
80.02682	13.0
83.01405	2.0
85.02961	9.2
87.00878	3.0
89.02458	36.6
93.03468	9.6
93.07111	5.7
95.01391	2.3
95.05073	2.2
96.67343	1.4
99.00936	2.4
101.02462	25.9
103.05556	79.7
104.05900	2.3
106.03541	2.0
106.04264	38.9
109.02975	1.5
111.04512	2.6
113.02471	13.0
117.03529	1.4
119.03535	15.2
119.05032	14.4
121.02964	2.4
121.06616	100.0
122.06944	6.5
124.01665	10.0
135.04500	1.8
139.04086	3.6
139.07716	3.1
141.28625	1.3
147.04549	1.7
151.04002	1.8
155.03484	1.7
163.04076	2.3
165.05595	99.0
166.05956	5.6
166.99829	1.3
168.00684	12.6
173.04567	9.8
179.03474	2.1
179.05580	1.9
183.03026	32.2
183.06612	2.4
191.05684	14.1
203.66914	1.3
216.92740	1.4
219.11806	1.5
227.07254	1.9
231.68712	1.7
238.35492	1.4
241.82198	1.5
259.80899	1.4
277.01700	1.5
345.08224	3.8
345.11914	21.6
346.12360	2.6
367.36322	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	345.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38052	0.4
55.01886	0.6
57.03434	0.5
59.01382	6.5
67.01910	0.4
67.21291	0.4
71.01387	11.5
72.64845	0.3
73.02959	2.9
79.05539	3.9
81.03465	3.0
83.01411	0.7
85.02506	0.5
85.02970	5.9
87.00883	0.9
89.02449	0.8
93.03465	3.7
95.01410	0.6
97.02957	0.5
99.00925	1.9
101.02467	5.5
109.02949	0.7
111.04530	1.6
113.02467	5.0
119.05019	2.8
121.36032	0.3
123.04544	100.0
124.04883	4.5
125.02483	0.5
135.04543	2.8
136.04919	0.4
137.02463	0.6
143.03542	1.1
147.04553	0.6
155.03543	0.9
157.48294	0.4
159.03032	1.8
161.04584	16.9
162.04991	0.9
163.04008	2.2
173.04564	3.0
176.03941	0.5
177.01965	0.4
179.03528	2.4
191.05627	9.2
192.05983	0.9
200.01460	0.4
227.07201	1.2
229.04300	0.6
236.04993	0.6
236.07039	0.7
244.04269	0.4
245.92140	0.4
255.06618	0.6
255.10402	0.4
258.06317	0.7
285.09860	5.7
286.10034	0.8
330.45776	0.4
345.09119	1.4
345.59344	1.1
353.08810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0829
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.00453	0.3
57.03452	0.4
59.01384	1.6
61.98846	1.1
69.03468	1.0
71.01391	0.6
71.71272	0.6
73.02959	0.5
75.00909	0.4
77.03974	0.8
81.03455	0.8
83.01395	1.3
83.05067	0.5
85.02972	0.9
87.85239	0.5
89.02430	0.4
93.03488	1.5
95.01387	0.5
97.02982	0.9
99.00907	1.7
101.02467	0.8
109.03011	1.0
110.00124	1.2
111.00906	2.7
111.04535	0.8
113.02432	0.5
119.05061	0.8
120.99642	0.5
121.02980	1.7
123.04571	0.7
124.98847	0.4
125.02492	0.6
131.03636	0.4
134.79977	0.4
135.04579	0.6
136.98840	0.4
137.02473	5.8
139.00398	2.7
139.04076	0.9
140.01228	0.6
141.01970	2.9
149.02429	0.4
151.04070	0.5
153.01947	3.4
155.03482	1.0
165.01967	6.7
165.05602	0.6
165.99101	2.4
166.02423	0.4
166.99933	1.4
167.03549	0.5
169.00171	0.4
173.04599	1.6
177.02028	0.7
179.03627	0.5
181.01462	6.3
182.02246	100.0
183.03009	90.0
184.03389	3.9
191.04037	0.5
191.05656	2.9
193.05067	0.6
194.02234	0.5
195.02983	1.8
207.02968	0.6
207.05081	0.7
225.04121	0.6
230.00337	0.5
236.84346	0.3
303.07233	0.5
345.08295	75.9
346.08618	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	345.0619
Annotation	aflatoxin B1 8,9-dihydrodiol
Peak:m/z	Relative Intensity
59.01377	6.7
63.57583	0.9
65.86795	1.0
71.01375	5.0
71.18723	2.0
73.51287	0.9
75.90479	1.2
85.02957	1.6
89.02457	3.5
94.94352	0.9
100.87489	1.0
101.02460	3.0
113.02481	2.2
119.03519	1.5
123.04567	1.0
127.05553	9.4
143.05046	2.5
145.02962	3.6
154.04259	1.3
158.03738	2.6
160.05592	0.9
167.05055	1.5
169.02989	1.3
169.06624	2.0
171.04518	2.6
173.02466	1.8
173.06129	1.3
174.03261	1.5
174.17566	1.0
179.05157	1.0
181.02888	4.3
182.03691	1.9
183.04568	4.4
185.02499	3.1
187.04047	5.0
193.03000	2.4
195.04547	7.4
198.06863	2.8
199.04047	3.1
199.07661	7.2
201.05588	13.0
209.02478	6.0
210.03227	3.3
211.04010	8.5
212.04550	1.0
213.01997	7.8
213.05582	2.8
214.02350	1.4
215.03499	2.7
219.86794	0.9
223.04077	1.6
225.05559	19.1
226.02690	2.2
226.05965	2.0
237.01897	4.5
239.03523	2.6
241.05148	1.4
243.06618	25.9
244.06975	3.0
253.01439	25.3
254.01894	3.5
255.03012	4.1
256.03741	1.8
257.08212	2.9
265.01392	9.5
266.02029	5.2
267.02914	3.4
269.04559	33.5
270.04892	4.0
281.00903	12.0
286.04816	5.6
295.02515	3.2
301.07208	33.5
302.07574	3.7
312.02771	28.5
313.03152	2.9
313.49567	1.1
327.05109	100.0
328.05453	14.6
345.06412	4.8
345.09863	2.2
345.15540	8.7
346.16113	1.1
353.21085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2234
Annotation	Dehydrodictysine
Peak:m/z	Relative Intensity
57.03446	2.2
61.55685	0.4
71.51970	0.7
82.91071	0.4
91.05544	11.9
116.05071	2.6
117.07097	2.3
118.06650	100.0
119.06990	4.8
135.04546	1.5
146.09792	0.8
146.67403	0.5
151.66936	0.5
153.12825	1.0
162.05634	0.5
169.16008	9.9
170.16399	0.7
181.16003	4.1
196.17039	2.4
208.17087	9.3
209.17719	1.8
257.19138	1.8
258.79581	0.5
282.22278	1.5
300.23337	12.7
301.23660	1.7
344.22324	16.5
344.26410	1.0
345.22644	2.6
358.46338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77840	0.3
57.03447	2.0
59.01385	30.3
59.87968	0.3
60.01722	0.4
63.29108	0.3
70.85411	0.6
71.05022	5.2
79.75068	0.3
83.05032	0.7
85.02965	1.9
85.06617	0.5
99.08176	6.9
100.08488	0.4
101.09771	0.7
111.08217	1.7
115.07674	0.7
125.09751	4.8
127.07717	0.5
129.09245	22.2
130.09593	1.1
143.10777	0.4
153.12894	0.3
163.14961	0.5
168.44421	0.3
179.14221	0.4
183.35548	0.3
218.19766	0.3
237.18526	0.5
255.19710	0.5
283.19165	18.6
284.19464	1.9
299.18643	0.4
301.20221	100.0
302.20563	11.1
302.24011	0.5
343.21280	26.2
344.21555	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	343.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13947	0.6
57.03440	1.1
59.01385	3.8
68.99805	1.7
71.01385	4.0
71.04317	0.6
71.04634	0.9
72.99264	0.5
73.02950	12.8
83.01411	1.0
85.02945	1.0
87.00874	5.0
89.02454	0.8
99.00885	6.9
101.02454	34.4
102.02762	0.8
105.01939	1.2
111.00912	0.9
115.00379	0.7
124.01669	0.7
125.02463	0.7
133.01443	1.7
139.41789	0.5
143.03525	0.8
145.01480	0.6
152.88950	0.6
155.14410	2.7
169.15982	6.9
171.12575	0.9
171.13931	10.9
172.14238	0.6
181.16037	1.3
185.15408	2.8
195.13910	100.0
196.14232	6.7
197.15462	2.1
209.15434	1.0
213.14948	0.9
219.94142	0.6
225.14937	5.5
227.16547	5.6
237.14990	3.4
255.16008	32.1
256.16354	1.8
257.36014	0.6
297.17023	3.1
343.17529	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	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94471	0.4
59.01382	100.0
60.01715	1.3
67.01905	0.9
69.03458	0.7
69.83140	1.1
69.83553	2.2
71.01387	5.3
83.05019	0.8
85.02987	1.5
87.00903	0.9
89.02446	4.7
93.03471	6.1
95.01402	0.8
99.00884	0.5
101.02479	2.7
109.02974	0.9
111.04564	2.2
113.02480	2.0
114.05603	0.6
118.98174	0.5
119.03550	1.8
119.05076	1.7
120.99673	7.5
121.03020	1.2
127.04032	1.3
133.02994	3.7
135.04558	5.8
136.04886	0.5
137.02461	3.5
144.01228	0.9
151.00424	1.4
152.63899	0.5
155.03564	2.1
161.02441	2.8
165.02028	0.5
169.02264	1.5
173.04547	6.4
173.48679	0.4
176.04094	1.9
177.02011	1.6
179.03473	2.7
179.05696	1.4
181.05174	0.7
191.05632	8.0
192.06044	0.7
224.06737	0.5
227.93988	0.5
243.06012	1.1
256.04941	2.2
257.78394	0.5
265.21378	0.6
295.06174	1.1
313.07242	0.6
335.08096	0.8
339.05194	2.6
343.08426	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	343.0825
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
51.03428	0.2
59.01372	1.3
65.00328	1.1
71.01389	0.4
98.20664	0.6
99.00920	0.4
101.02440	0.5
105.01942	0.3
123.00925	0.4
132.02188	3.2
133.02979	0.9
135.00873	1.5
136.98825	2.9
145.01445	0.3
147.04520	3.0
151.00394	0.9
161.02460	1.1
163.00392	3.5
164.98328	1.8
165.99057	1.0
170.03726	0.6
174.03271	0.6
177.01921	0.7
177.99118	0.3
179.00000	0.6
182.03746	0.8
183.04449	0.4
186.03317	0.5
195.04524	0.3
195.13893	0.4
197.06052	0.4
197.15605	0.6
198.03255	3.0
200.01164	0.5
201.02084	0.4
202.02757	0.3
210.03159	0.5
211.04042	1.0
213.05609	0.7
214.02750	2.7
215.03539	0.3
226.02783	2.6
227.03488	0.5
241.01401	0.5
241.05074	0.9
242.02219	4.3
243.02538	0.4
251.03357	0.4
253.01338	0.4
254.02142	1.6
255.02913	1.9
256.03812	1.6
257.00900	2.2
257.04553	1.1
267.02979	1.1
269.00900	2.5
269.04276	0.7
270.01688	27.4
271.01965	2.3
281.00955	0.4
282.01736	2.1
283.02551	1.3
284.03198	2.9
285.04053	10.9
286.04337	0.9
295.02505	0.7
297.03952	0.3
298.01215	42.9
299.01553	4.3
299.05521	1.4
300.06433	0.7
312.02814	2.8
313.03543	87.8
314.03879	9.8
327.05090	3.8
328.05899	72.5
329.06287	7.9
343.08255	100.0
344.08594	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	343.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	83.3
60.01720	1.0
61.98841	1.7
69.35506	0.2
71.01392	0.4
71.13441	0.7
73.74400	0.2
115.02539	0.3
116.92847	0.3
117.00481	0.3
156.90871	0.4
157.03595	4.9
158.03717	0.4
158.90614	0.2
159.01529	5.1
160.01711	0.4
173.02879	0.3
176.00339	0.2
176.84373	0.3
198.92043	0.3
201.02571	100.0
201.89459	0.6
202.02733	9.2
206.97472	0.6
208.97350	0.4
228.96909	0.4
258.95370	0.2
301.02475	0.4
343.03793	3.8
344.03693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.1
61.98833	1.4
69.03468	2.1
71.01390	6.4
73.34959	0.9
83.05027	1.8
84.02181	8.2
85.02970	1.2
87.00889	1.2
89.02442	7.3
93.03462	1.3
97.02967	2.9
97.06606	8.6
99.00900	2.6
99.04546	2.6
101.02460	3.3
113.02480	2.3
113.85419	0.9
119.03519	3.1
119.08655	1.1
125.09742	1.1
135.04510	0.8
153.13055	0.8
156.28137	0.8
161.04501	1.0
163.14285	0.8
171.10295	22.9
172.10767	1.0
173.04536	1.4
175.11296	1.2
179.05658	3.2
193.12349	11.2
194.12686	1.7
197.15385	1.0
210.18817	0.8
211.13408	3.5
225.14970	15.5
226.15332	1.2
243.15981	5.8
250.21671	1.3
253.14366	1.4
281.14038	0.9
291.19672	2.3
341.10788	5.3
341.23352	100.0
342.23566	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	341.1973
Annotation	Methyl botryoloate
Peak:m/z	Relative Intensity
57.03452	6.9
58.00604	1.2
59.01382	43.6
68.69550	1.1
70.80006	3.2
71.01391	13.6
71.05024	19.2
72.99271	1.1
73.53690	1.0
77.40636	1.0
82.23425	1.0
83.05054	1.0
85.02952	3.6
85.06586	1.5
89.02459	14.4
97.06546	1.1
98.20045	1.9
101.02471	7.6
109.02961	8.2
109.84160	1.0
113.02460	6.1
119.03529	6.8
125.09768	6.1
133.02957	1.5
135.04530	1.2
137.02415	1.3
143.03487	1.5
143.10809	16.2
148.01724	1.8
151.00372	1.6
161.04579	1.9
163.00356	3.1
177.01987	5.7
177.12871	2.3
179.03513	1.8
179.05602	8.4
189.01776	1.6
202.99940	1.6
211.36438	1.2
237.18614	2.0
269.04599	1.7
280.80963	1.1
281.17590	22.9
282.17865	2.1
299.18649	100.0
300.19003	8.9
309.62317	1.1
313.03574	3.1
323.18777	1.1
334.51181	1.1
341.02969	12.9
341.06625	3.1
341.10507	9.8
341.19748	15.6
342.03409	2.0
342.19952	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	341.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03461	0.7
59.01389	1.5
66.76625	0.6
67.01887	2.4
68.01413	0.7
68.85229	0.5
69.03455	6.8
70.02981	3.2
71.01387	2.4
71.03322	1.0
71.07855	1.3
72.99320	1.0
75.00877	0.6
80.02686	0.6
81.03501	0.7
83.01396	2.6
84.02174	0.8
85.02972	4.8
85.56266	0.5
87.00879	1.1
95.01392	1.1
97.02982	1.1
99.00887	1.3
105.01958	14.6
108.02206	2.6
111.00911	5.1
113.02457	3.2
115.00399	2.2
117.49466	0.5
122.03707	0.9
123.00877	0.7
124.01690	2.7
125.02473	0.8
129.01947	0.7
134.36891	0.6
139.00403	1.6
141.01930	0.7
142.05000	0.6
145.01459	3.9
150.03204	0.6
152.01178	1.7
153.12883	2.0
155.14409	1.4
175.14990	1.0
179.14450	3.7
180.14822	1.1
180.31929	0.5
181.16011	18.6
182.16417	1.1
191.14456	1.0
193.16035	3.7
195.13957	1.8
195.17580	1.4
197.15448	1.7
198.15857	1.3
205.15970	0.9
207.13986	0.7
209.15495	12.6
210.15778	1.0
217.15956	0.6
219.13960	1.2
221.15547	6.6
222.15900	0.7
224.16542	8.5
225.16925	25.7
226.17159	1.4
235.13443	5.8
235.17097	1.4
236.14049	1.3
237.12753	1.0
237.14990	12.0
238.15483	1.3
239.16516	2.5
249.15063	3.6
250.15372	0.9
253.14517	4.6
254.14514	0.7
265.11618	0.8
265.14456	16.4
266.14777	1.3
267.15988	4.9
293.13968	100.0
294.14301	12.9
295.15576	4.8
297.19113	4.2
323.15009	2.6
341.18024	1.0
356.40207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1093
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.03900	0.5
57.03450	1.4
58.00598	4.0
59.01384	100.0
60.01714	0.7
63.90982	0.6
71.01392	68.0
71.08654	0.6
71.45696	0.9
71.46024	0.6
72.01741	1.1
72.99317	3.4
73.02955	2.3
75.00888	0.9
83.01414	1.8
85.02965	10.5
87.00896	4.2
89.02459	77.7
90.02802	1.6
95.01397	4.3
101.02465	30.3
107.05093	0.7
113.02473	26.0
114.02804	0.8
119.03529	26.4
120.03857	0.9
123.04589	0.8
125.02454	1.1
131.03513	4.4
133.01505	0.6
133.02998	2.4
135.04553	18.4
136.04849	0.8
143.03531	8.1
149.04593	9.9
161.02504	9.9
161.04559	8.8
162.02872	0.8
173.04601	1.3
179.03572	5.0
179.05675	34.1
180.06042	1.8
191.05687	1.0
341.11005	48.6
342.11414	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	341.1093
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01883	1.3
57.03449	2.0
58.00601	3.8
59.01384	100.0
60.01729	1.3
66.90419	0.5
71.01391	72.6
71.04083	1.2
72.01746	1.5
72.99313	3.4
73.02968	2.4
75.00884	0.9
83.01389	1.5
85.02966	9.4
87.00889	3.1
89.02460	83.1
90.02810	1.6
95.01414	3.7
99.00908	0.7
101.02464	35.3
102.02808	1.0
107.03517	0.5
113.02474	27.1
114.02843	0.5
119.03526	28.2
120.03857	0.8
125.02478	1.1
131.03546	4.2
132.74220	0.5
143.03528	8.5
149.04581	5.9
161.04593	8.6
179.05638	35.2
180.05971	0.8
191.05620	1.6
213.10518	0.5
288.47812	0.5
341.10916	48.0
342.11148	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03446	2.0
58.00591	3.8
59.01381	100.0
60.01717	1.2
69.77765	1.5
69.78169	3.5
70.25606	0.7
71.01389	71.4
72.01749	1.2
72.99303	3.8
73.02954	2.9
75.00874	3.6
78.95924	2.8
83.01415	2.8
85.02964	11.6
87.00891	4.4
89.02455	78.0
90.02787	2.5
95.01387	4.1
96.96985	2.3
97.02980	1.4
100.34095	0.7
101.02460	36.1
102.02750	0.7
113.02467	26.0
114.02853	0.7
115.04095	0.7
119.03521	29.4
125.02509	1.0
131.03529	4.6
135.04549	1.0
143.03532	8.5
148.12642	0.7
148.75684	0.7
149.04562	7.5
161.02477	0.9
161.04582	10.1
179.05637	34.9
180.06276	0.7
281.12402	2.2
341.10938	52.5
342.11130	4.5
361.29996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01382	3.1
71.01391	2.0
71.52162	0.3
73.02932	0.2
75.00870	0.2
85.02942	0.3
86.95742	0.2
87.00889	0.2
89.02457	2.1
93.03464	0.3
101.02464	0.7
107.05040	1.2
113.02462	0.9
117.03445	0.3
118.03015	0.3
119.03473	0.8
119.04986	0.8
123.04473	0.2
129.01994	0.2
133.02994	2.4
134.03790	2.2
134.05515	0.2
135.04546	100.0
136.04875	5.7
161.02469	9.1
162.02779	0.6
163.03984	1.1
164.04761	0.3
171.43419	0.2
177.01950	0.5
177.05632	0.3
179.03551	4.2
179.05611	0.6
179.07170	0.6
180.03844	0.2
195.05095	0.4
248.76102	0.2
270.11395	0.2
281.06647	0.2
300.30838	0.2
341.08203	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01387	2.8
61.35206	0.2
64.57872	0.2
70.45882	0.9
70.62547	0.2
70.68466	0.2
71.01384	2.0
73.02943	0.3
85.02938	0.6
87.00892	0.3
89.02441	2.1
93.03461	0.6
101.02452	0.8
107.05064	0.8
108.02165	0.2
109.02914	0.4
113.02459	0.9
119.03505	0.8
119.05014	0.3
123.04527	0.3
133.03017	0.2
134.03761	2.7
135.04546	100.0
136.04874	5.4
137.02432	0.2
140.92328	0.2
143.03459	0.4
148.07535	0.2
150.06883	0.4
151.03989	0.3
154.63658	0.2
161.02428	0.7
161.04561	0.3
171.92766	0.2
173.04549	0.7
178.06340	0.3
179.03517	77.4
180.03845	4.5
191.05646	0.4
195.05055	0.7
222.82552	0.2
253.08644	0.3
281.06436	0.3
288.30139	0.2
297.09756	0.6
319.53943	0.2
341.08450	4.3
342.12213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03465	0.4
58.00592	0.3
59.01384	7.3
59.01677	0.5
65.95924	0.3
67.17428	0.2
71.01392	3.9
71.27185	0.3
71.27522	0.6
72.99313	0.4
77.04004	0.2
80.61060	0.2
85.02986	0.9
86.18806	0.3
87.00887	0.3
89.02455	3.0
95.01389	0.4
97.61827	0.3
101.02460	1.8
105.03452	0.4
107.05070	0.3
113.02493	1.1
117.03479	0.5
119.03545	0.9
132.02214	1.2
133.02980	25.6
134.03180	0.5
135.04547	20.4
136.04877	1.1
149.06110	0.6
161.02467	100.0
162.02803	5.4
175.04001	0.4
177.01958	3.6
177.05579	1.0
178.02318	2.3
179.03595	17.5
179.05415	0.6
180.03882	1.0
182.85822	0.2
191.05626	0.4
203.03561	2.0
221.04607	1.3
251.05589	0.9
281.06787	1.6
294.01730	0.3
341.08698	13.6
342.09042	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	341.0882
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.03491	0.7
59.01383	8.1
61.98862	0.4
70.85078	1.0
71.01388	6.6
72.97578	0.7
75.00933	1.3
78.70215	0.3
85.02968	1.7
87.00908	0.9
89.02464	6.2
93.03477	2.1
98.98443	0.4
99.00943	0.5
101.02458	3.5
107.05069	1.5
108.02191	0.5
109.03014	1.2
111.04565	0.7
113.02464	2.0
119.03529	2.3
119.05019	1.7
121.02978	0.4
124.01649	0.7
129.01988	1.3
133.02988	1.5
134.03769	3.3
135.04547	98.5
136.04880	5.2
137.02470	1.2
139.03998	0.7
143.03438	0.7
145.02989	1.0
147.04532	1.0
151.00481	0.4
161.02466	2.3
161.04572	1.1
163.04022	2.0
173.04585	1.2
177.02058	0.5
177.04005	1.0
177.05522	0.6
179.03519	100.0
180.03865	5.3
189.02016	0.4
190.02713	0.4
191.05688	0.8
195.05096	4.0
253.04419	0.4
253.08498	1.1
274.60468	0.4
281.13797	0.7
284.03345	0.4
289.47736	0.4
311.05569	0.7
320.49310	0.4
337.03378	1.0
341.08472	15.7
342.08963	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	341.0882
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
50.62332	0.2
56.21709	0.3
57.03478	0.3
59.01381	5.4
67.70892	0.2
70.72499	0.9
71.01387	3.9
71.09327	0.3
72.99319	0.4
75.00900	0.4
81.61868	0.2
85.02968	0.9
87.00887	0.7
89.02460	3.6
93.03458	0.3
95.01426	0.4
98.20564	0.3
101.02475	1.7
105.01922	0.3
107.05059	1.0
109.02977	2.0
113.02454	1.5
117.03487	0.3
118.03029	0.5
119.03517	1.9
119.05035	2.1
129.01952	0.4
133.02960	1.4
134.02515	0.8
134.03754	2.2
135.04547	100.0
135.47281	0.3
136.04874	5.6
143.03555	0.4
149.04532	0.3
152.03551	1.6
161.01260	0.5
161.02470	4.9
161.04578	0.9
162.02859	0.3
163.04041	2.4
177.01865	0.3
177.04132	0.3
179.03523	65.0
179.05492	2.4
180.04094	3.1
181.57057	0.2
195.05092	2.2
203.03497	0.6
213.03346	0.3
223.91063	0.2
297.09995	0.3
341.08508	1.3
341.10953	1.9
342.08209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.4
61.29478	0.4
70.86509	0.7
70.86879	0.7
71.01383	4.6
72.99281	0.4
73.29355	0.3
81.03467	0.6
82.86995	0.3
84.80953	0.3
85.02959	0.8
87.00849	0.4
89.02468	4.7
89.03979	0.9
89.73713	0.4
91.01911	0.5
93.03465	1.1
95.05022	1.5
97.19163	0.3
101.02457	2.5
103.05550	1.2
105.03452	0.5
108.02174	0.6
109.02974	17.9
109.47665	0.3
110.03283	0.5
113.02475	1.9
117.03465	1.0
119.03537	2.1
119.05034	1.7
121.02950	1.3
122.03754	0.8
123.04543	17.4
124.04876	0.4
125.64831	0.4
133.02988	3.1
135.00888	0.6
135.04550	0.8
136.07726	0.8
137.02533	0.4
145.02975	1.7
147.04549	4.8
149.02449	0.6
150.03229	1.6
151.04028	7.7
155.41139	0.4
159.04535	1.3
161.02490	3.1
161.04605	0.6
162.03232	1.4
167.07579	0.4
171.57021	0.3
176.01205	1.6
177.01959	25.7
178.02298	1.3
179.03458	0.4
179.05646	2.4
187.04057	1.4
189.01956	58.9
190.02711	13.8
191.03516	11.0
192.03905	0.6
200.46556	0.4
202.02925	0.4
203.03535	6.4
216.00652	8.2
217.01422	33.1
218.01961	3.1
219.02991	11.4
220.03372	0.6
226.05978	0.7
227.07156	0.4
231.02998	9.2
232.03577	1.2
233.04608	1.2
253.05121	0.4
254.05492	0.7
281.04596	1.1
297.07639	0.8
311.07498	0.5
323.05768	1.3
326.09830	2.5
329.37555	0.4
341.06708	100.0
341.11063	4.8
341.82870	0.5
342.07010	10.6
342.11185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90895	1.0
55.41312	1.0
57.03447	6.5
59.01387	19.9
61.98810	2.1
63.59985	1.0
66.03497	3.6
69.03456	2.3
71.01393	11.7
71.70685	1.7
72.99313	1.2
81.03461	2.6
82.02994	3.5
82.06632	1.5
83.01404	1.4
83.05022	1.8
84.04556	10.8
84.08191	8.7
85.02961	5.9
86.92858	1.0
89.02445	5.3
92.05081	1.2
93.03477	1.1
94.03008	6.9
95.01400	6.1
95.04988	1.0
97.02962	1.9
100.04056	15.7
101.02448	4.0
108.02186	1.9
109.02996	2.1
110.06138	34.1
111.06491	1.1
112.04076	3.9
113.02469	2.2
119.03496	2.1
125.02473	2.7
128.07205	69.0
129.07536	2.3
136.01692	1.7
167.14461	11.8
179.05696	1.8
179.14528	1.3
180.94533	1.1
183.17549	10.1
184.17728	1.3
185.15460	1.3
193.15997	25.9
194.16322	2.5
195.13924	10.9
195.17548	5.8
197.15417	2.1
199.00769	1.8
205.15979	1.5
206.08516	1.1
208.17102	6.4
210.18654	84.1
211.17108	1.8
211.18872	5.5
219.17595	1.2
221.15533	1.4
221.19244	1.1
223.20639	3.0
224.20154	1.8
233.15492	1.3
234.18663	7.1
235.20753	1.5
236.20238	2.6
249.14964	38.1
251.16513	4.8
252.23334	67.5
253.23668	4.9
254.21388	1.4
263.16589	1.7
278.21274	23.7
279.15997	19.2
279.21500	2.9
281.17664	1.4
291.16003	4.7
293.14075	3.1
296.22324	100.0
297.22678	8.1
309.17065	3.4
322.20258	49.2
323.20758	5.6
340.16830	2.6
340.21310	54.3
341.10913	3.1
341.20728	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	340.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78521	1.0
59.01388	5.2
60.61180	0.9
61.98823	0.9
66.03481	2.5
68.01421	1.9
69.03460	8.2
70.02978	5.3
71.01381	3.1
71.69807	1.6
72.70082	0.9
73.02959	1.5
82.02994	4.2
83.05049	1.2
84.04556	3.3
88.66160	1.1
88.92680	1.1
89.02463	2.3
94.03028	4.7
96.00924	1.8
96.04565	7.4
101.02441	1.5
110.06084	1.6
111.11517	1.0
114.05623	1.8
119.03538	1.3
122.02505	6.6
135.56746	1.3
169.16014	2.2
179.05637	1.9
179.14444	6.3
181.15999	1.1
183.17705	1.9
188.65213	1.1
197.15483	1.4
207.17560	10.4
209.19019	2.1
210.18681	2.5
222.18533	2.3
225.18564	2.3
235.17148	1.5
236.16618	2.1
248.16344	1.1
250.18204	1.8
251.20215	11.0
252.19699	21.0
253.19994	1.6
264.19720	5.4
278.21259	100.0
279.21674	11.0
296.22415	5.0
308.18646	9.0
310.24460	1.0
322.20190	1.5
340.21173	1.3
341.10770	2.0
353.09888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92587	0.2
59.01378	0.9
61.98812	0.2
68.01415	2.5
69.47061	0.7
69.47481	1.0
70.02985	13.0
71.01386	1.9
84.04554	0.5
89.02449	0.6
96.00925	1.7
113.02440	0.2
114.09286	0.2
115.00401	2.5
135.45297	0.2
142.05138	1.2
151.14966	0.2
153.12900	1.0
155.14470	0.2
169.15953	0.4
171.13942	0.2
173.04559	0.2
178.16039	1.5
179.12952	0.3
179.14435	5.1
179.16037	0.2
180.14766	0.3
183.01257	0.7
196.17102	2.3
197.15491	5.6
198.15884	0.4
209.15471	0.2
222.15086	0.3
224.16571	100.0
225.16905	8.4
233.38957	0.2
252.19704	0.9
268.22852	1.6
272.33749	0.2
296.18683	13.5
297.19101	1.9
339.29221	0.2
340.17618	3.4
340.24963	0.6
341.10785	0.5
341.17920	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	340.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02955	2.5
59.01383	3.2
65.70865	0.5
69.03446	1.2
69.76743	1.6
69.77172	2.2
71.01386	3.5
77.90495	0.7
83.05025	0.8
89.02460	3.6
93.03455	2.7
94.03793	0.7
101.02448	1.5
102.05630	0.7
113.02425	1.0
118.05470	0.6
119.03524	1.0
124.04070	6.4
137.02461	0.8
151.05510	1.9
165.07082	0.9
173.04594	2.8
174.04916	0.9
179.05603	1.1
179.14484	0.6
180.05780	1.8
181.06628	0.7
191.05533	0.8
192.05881	0.6
193.06606	2.2
195.04568	1.5
206.06061	4.1
207.08229	0.9
208.05307	19.6
209.06059	9.3
211.03957	1.9
221.08475	2.8
223.07655	57.3
224.08057	5.7
225.05591	7.3
230.61581	0.6
235.06488	0.7
236.10852	0.8
238.06416	0.6
238.08705	1.3
239.07054	0.6
248.03506	0.9
248.07164	4.1
249.07721	0.9
250.18178	0.8
251.05870	1.4
251.39368	0.5
260.16605	0.6
263.05869	64.0
264.06448	12.1
265.07422	4.8
266.08197	2.0
266.11841	0.7
266.25278	0.6
267.08853	0.9
268.13391	1.8
276.06708	1.6
278.08231	100.0
278.17566	7.2
279.05579	0.8
279.08530	11.6
280.06598	0.7
280.09775	6.2
281.08014	1.1
293.06882	2.6
294.07956	1.2
294.11359	7.0
295.11713	1.3
296.18637	2.0
308.09079	1.3
309.06296	0.6
311.07953	1.1
314.18124	0.9
315.18381	0.6
340.11920	23.9
341.11780	3.7
360.56363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	4.7
59.01384	16.2
60.99021	1.8
60.99308	16.6
70.02978	3.2
71.01385	10.3
71.71214	1.7
83.01441	1.1
85.02959	2.1
87.00883	1.5
88.98818	100.0
89.02454	11.3
89.10988	1.1
89.99144	2.5
91.05534	1.3
93.03464	3.7
95.01367	1.4
98.80714	1.1
101.02473	5.4
109.02982	1.5
113.02448	3.7
119.03501	3.3
124.20117	1.2
133.02965	5.2
135.04538	4.8
143.03510	1.1
145.02904	1.2
147.04550	8.5
161.02490	1.7
161.04556	1.5
164.07187	26.0
173.04573	2.6
177.05621	2.2
178.06035	2.2
179.03560	2.3
179.05667	5.1
191.05609	2.7
193.06114	1.3
206.08232	56.2
207.08568	3.3
218.97069	1.1
250.05121	1.8
252.06680	1.8
266.04504	7.5
267.05261	1.7
278.04691	4.5
294.04141	8.6
300.42099	1.1
322.03387	1.4
325.06100	6.5
326.06497	2.7
339.52325	1.0
340.04791	1.8
340.08606	6.6
341.10971	6.5
356.17157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0725
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
59.01373	2.1
64.27786	0.2
70.24587	0.3
70.25005	0.6
71.01387	0.3
72.50460	0.2
78.95890	0.2
81.03472	0.4
85.02959	0.4
89.03989	1.4
93.03485	0.5
95.05067	0.2
101.02448	0.2
104.02656	0.4
105.03479	3.0
108.00473	0.2
108.26566	0.2
109.02957	0.2
111.04548	0.2
119.05044	4.4
120.05383	2.0
121.03005	0.3
121.05664	1.0
133.02974	8.4
134.03300	0.2
148.01686	0.5
149.02432	0.8
161.02631	0.2
163.04022	6.6
164.04376	3.5
165.04543	4.5
166.04872	0.2
173.04594	0.6
174.04861	0.2
175.05078	0.2
176.01155	1.4
177.01945	100.0
178.02298	5.1
191.05588	1.3
192.05980	0.9
193.06065	1.8
229.01453	0.4
249.05804	0.2
334.54565	0.2
339.07190	12.1
340.07455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.989
Annotation	D-myo-Inositol-2,4-diphosphate
Peak:m/z	Relative Intensity
57.89057	0.3
57.99944	0.3
69.41596	0.4
69.42245	3.0
78.95911	100.0
96.63927	0.3
96.96976	48.6
98.20689	0.7
138.98038	1.6
150.98071	0.9
158.92554	14.5
168.99130	1.0
176.93590	2.8
223.00124	2.9
241.01190	57.5
242.01544	2.5
259.02313	3.3
320.97855	5.7
338.98877	47.8
339.99158	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	338.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03447	0.2
59.01381	0.3
68.01392	0.2
69.03461	5.7
70.02976	0.7
71.01391	0.4
71.02701	0.4
71.05042	0.3
72.92141	0.1
79.52988	0.2
80.02698	0.3
82.02991	0.6
83.05051	0.2
84.04560	3.5
85.02966	3.9
96.00924	0.5
96.04539	0.2
98.02494	96.6
99.00903	0.3
99.02824	2.0
100.04064	1.0
102.05611	0.2
106.53512	0.1
107.03791	0.3
108.04477	0.2
110.06183	0.2
112.04077	0.9
112.07713	1.1
114.05663	0.2
122.06142	1.5
125.95164	0.2
138.05521	0.2
140.07198	2.9
151.11287	0.2
152.99634	0.3
153.12851	1.3
166.05121	1.4
169.16061	0.2
171.01697	0.3
171.13971	0.2
179.14444	1.6
181.15990	2.6
182.16280	0.2
184.06174	55.8
185.06525	2.5
195.13939	1.5
196.14156	0.1
197.15526	0.3
224.16577	2.9
225.15009	0.4
225.16985	0.2
234.14993	0.9
235.13268	0.2
236.16559	0.4
241.10461	0.2
252.16060	11.1
253.16422	0.9
266.21198	0.4
276.19684	1.2
280.05099	0.3
294.20801	0.5
295.13812	0.2
308.04611	0.4
319.62381	0.2
320.18655	0.7
323.07138	0.2
338.19736	100.0
339.20078	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	338.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.8
61.98834	100.0
69.50815	0.6
71.59869	1.3
84.85269	0.6
102.95474	0.7
107.30915	0.6
110.92027	0.8
147.10748	0.6
158.08217	0.7
164.14601	0.7
195.17598	1.1
197.15445	0.7
251.16763	1.4
279.16077	2.4
335.06976	0.7
339.18118	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	337.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53399	0.4
56.62577	0.4
59.01371	1.5
64.06715	0.4
70.58079	1.4
79.95747	6.9
80.96511	0.9
94.36971	0.4
94.98103	0.6
95.95257	1.7
96.96024	72.4
97.56097	0.4
122.97588	3.2
136.71048	0.4
195.28040	0.4
197.15558	0.6
198.33543	0.4
210.35295	0.4
280.81308	0.5
337.20551	100.0
338.20871	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
59.01376	1.2
62.28831	0.2
67.01896	0.7
69.03457	0.4
69.60976	0.7
69.61401	0.6
71.01384	0.8
81.03497	0.3
83.05037	0.3
85.02959	7.4
87.00884	2.1
88.20903	0.2
93.03462	4.6
94.03827	0.2
98.20650	0.2
99.04527	0.2
103.15279	0.2
109.02960	0.7
111.04552	1.0
113.02444	0.2
119.05049	1.7
127.04030	1.6
137.02489	0.2
145.02948	0.9
155.03522	0.2
163.04068	1.7
164.04440	0.2
171.03053	0.2
173.04550	2.1
191.05627	100.0
192.05984	5.1
209.54807	0.2
291.37439	0.2
337.09329	3.1
338.09604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95105	0.3
57.03443	0.6
57.05525	0.2
59.01384	1.5
60.99301	0.6
67.01894	4.0
69.03457	0.8
71.01399	2.5
71.19677	0.2
71.20007	0.4
78.27914	0.2
81.03452	0.5
83.05035	0.9
85.02950	0.6
87.00874	0.6
91.36057	0.2
93.03469	24.7
94.03812	0.8
109.02979	0.9
111.00905	0.9
111.04539	4.3
117.74605	0.2
119.05045	13.3
120.05410	0.7
127.04066	0.3
135.60178	0.2
137.02464	4.5
155.03519	4.1
163.04028	17.8
164.04362	1.0
173.04572	100.0
174.04916	3.4
191.05627	6.6
192.05878	0.3
199.66963	0.2
252.91579	0.3
267.63400	0.2
312.69183	0.3
332.20532	0.2
337.09283	5.1
344.25436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
64.88954	0.5
67.01891	0.4
67.59438	0.4
71.39613	0.9
77.59975	0.4
81.03510	0.5
83.05029	0.6
85.02962	2.1
93.03468	3.0
101.08389	0.4
111.04528	1.6
119.05046	51.9
120.05403	3.1
155.03517	2.0
163.04033	100.0
164.04370	4.2
173.04565	4.6
191.05627	17.5
192.06015	0.5
200.10068	0.5
240.94676	0.5
337.09338	5.2
338.09750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22779	0.6
71.01386	1.7
71.01788	1.0
76.29733	0.5
81.03470	0.6
85.02966	5.3
87.00899	1.1
93.03460	4.5
109.02964	0.9
111.04534	3.2
118.67827	0.6
119.05045	62.1
120.05375	1.9
127.04051	1.5
145.02927	0.9
155.03532	2.2
158.54802	0.6
163.04030	100.0
164.04361	5.5
173.04579	5.4
186.93466	0.8
191.05627	43.9
192.05968	1.7
337.09277	8.5
338.09683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03461	1.4
59.01382	4.6
68.99816	2.0
69.03451	1.0
69.50002	0.7
69.71241	0.7
69.95594	1.6
69.96006	2.5
70.40806	0.7
71.01387	7.6
72.99326	1.5
73.02958	1.9
75.00887	1.6
78.95913	1.7
80.02865	0.7
83.01395	2.3
85.02965	11.2
87.00892	5.3
88.98834	1.6
89.02452	2.9
95.01408	1.6
96.96978	1.0
99.00889	4.7
101.02460	4.0
109.66505	0.7
110.89977	1.5
111.00818	0.9
113.02460	7.6
113.99605	15.9
115.00408	13.4
115.04034	0.7
127.00384	3.3
129.01956	3.0
133.01488	3.8
141.01981	1.1
145.01424	1.9
146.04599	1.7
157.01479	3.6
161.04588	1.2
169.01410	1.3
174.01732	17.0
175.02501	14.9
176.02888	1.2
223.67207	0.7
277.05661	17.1
278.05981	0.9
319.81662	0.8
337.07782	100.0
338.08124	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0776
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
51.60807	0.2
55.01873	0.4
56.49437	0.2
57.03435	0.7
58.00579	0.2
59.01388	1.9
67.01904	0.2
68.99836	2.5
69.03439	0.5
71.01387	2.6
71.04720	0.3
72.99321	0.5
73.02947	1.2
75.00884	1.1
78.95897	0.5
81.03465	0.2
83.01395	1.6
85.02440	0.3
85.02962	5.1
87.00890	2.2
89.02444	0.6
93.03471	0.6
95.01418	1.1
96.96951	0.3
97.02963	0.5
99.00900	4.8
101.02460	2.7
102.05614	1.3
102.98599	0.2
106.84840	0.2
111.00907	2.3
111.04515	0.4
112.98755	0.6
113.01689	0.4
113.02468	6.2
113.99608	16.9
114.02786	0.2
115.00407	6.8
116.00766	0.3
119.05043	2.8
120.05391	0.2
125.02477	0.5
127.00385	2.6
128.03531	1.1
129.01974	2.6
137.02434	0.2
139.00368	0.8
139.18076	0.2
141.01950	0.6
142.99889	0.4
145.01436	2.3
145.03328	0.3
146.04617	4.3
157.01440	4.1
162.89374	1.0
163.04039	6.2
163.06172	0.8
169.01443	1.2
173.04611	0.4
174.01714	17.8
175.02472	1.8
191.05638	0.9
222.43051	0.2
252.65331	0.2
277.05646	18.3
278.05991	1.3
294.58636	0.2
333.85980	0.2
334.84235	0.2
337.07770	100.0
338.08109	7.9
346.73676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1503
Annotation	8'-Hydroxyzearalanone
Peak:m/z	Relative Intensity
59.01387	0.5
61.98831	0.6
65.00336	0.5
65.04008	0.4
66.52319	0.4
67.01893	0.6
68.99841	0.7
70.22109	2.4
70.28292	0.4
81.03457	2.5
91.01923	2.0
93.03504	0.8
95.01390	1.0
107.01379	0.6
108.02195	18.2
109.02977	41.0
109.68226	0.4
110.03300	1.7
111.00890	1.1
122.03760	1.9
123.00910	6.7
124.01730	3.3
125.02520	0.6
135.00914	1.7
135.04553	3.8
136.01700	3.5
137.02475	0.9
150.03278	1.1
151.04071	1.4
153.01968	5.3
160.01694	0.5
161.02467	1.5
163.04004	1.0
164.04826	2.0
171.13943	16.0
171.99838	0.5
172.14278	1.0
174.06844	0.5
178.99898	0.6
179.03564	4.0
180.00697	1.9
184.69824	0.5
190.02670	0.8
199.13426	7.3
199.27380	0.4
208.00121	3.5
245.15405	0.7
247.17072	3.0
263.16528	100.0
264.14026	0.7
264.16867	11.5
264.19565	0.8
273.14905	1.0
289.14444	1.3
291.16040	13.6
292.16464	1.4
307.15533	68.4
308.15900	7.4
317.13934	1.9
335.07996	1.7
335.15009	25.8
336.15253	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	335.0773
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
50.64517	0.4
55.01873	0.3
65.69611	0.4
69.90450	0.3
73.02938	0.5
83.05047	1.1
93.03473	6.5
94.03799	0.5
107.05049	0.8
111.04523	2.4
132.02269	0.5
133.02977	4.4
134.03806	3.0
135.04547	58.2
136.04868	3.0
137.02486	3.7
155.03526	2.4
161.02469	16.9
162.02843	0.9
162.48648	0.4
173.04565	1.4
175.08165	0.4
179.03522	100.0
180.03870	5.4
196.87250	0.4
201.49440	0.5
291.08682	0.5
335.07745	50.3
336.08148	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	335.0775
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
52.92999	0.5
53.04445	0.4
60.99332	0.5
61.67034	0.5
67.01912	0.5
70.46069	1.8
71.01415	0.7
73.02951	1.5
81.03477	1.0
83.05019	1.0
89.94109	0.5
93.03477	17.1
94.03812	1.1
98.19934	0.6
99.00916	0.7
107.05054	1.7
109.02993	0.8
111.04533	3.5
132.02202	0.5
133.02985	18.4
134.03810	4.9
135.04550	100.0
136.04886	5.9
137.02458	5.4
155.03545	2.4
161.02469	62.8
162.02800	3.4
173.04567	2.9
179.03522	83.8
180.03864	4.5
272.51132	0.5
291.08722	1.3
335.07751	44.1
336.08112	3.1
350.81976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
59.01391	0.7
61.98839	1.0
63.97169	0.5
69.03492	0.5
69.94540	0.8
69.94937	3.1
78.42549	0.4
79.05556	0.5
93.03466	0.9
95.05061	0.6
98.20206	1.2
101.57346	0.5
107.05064	0.7
108.02204	4.8
109.02988	1.6
121.02973	0.8
122.03748	5.4
123.04556	20.6
124.04845	1.2
125.02466	0.9
133.02994	1.3
136.01685	16.7
137.02292	0.5
149.02451	1.2
150.03241	2.3
151.04039	34.9
152.04366	2.0
161.02470	0.8
169.15991	1.2
171.14034	0.6
174.03247	1.8
179.03529	19.2
180.03828	0.5
187.87325	0.6
197.15482	1.4
259.17017	1.7
277.18103	23.0
278.18439	2.7
287.16559	4.6
305.17609	100.0
306.17929	11.4
333.17181	8.4
333.20740	1.1
334.17426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.9267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18311	0.9
57.44641	1.1
59.01033	0.9
59.01373	1.5
70.40204	0.9
71.01392	3.5
71.69350	1.4
72.99321	8.6
78.95913	7.1
80.80405	0.9
87.92547	100.0
93.03464	2.9
96.96971	2.0
99.00864	1.5
101.94099	1.6
103.92049	97.5
104.92824	39.8
105.93617	14.5
106.94389	6.7
111.04521	1.4
114.94859	1.1
119.91558	6.1
123.94675	35.3
130.94386	2.6
137.02478	2.3
147.94667	6.8
152.99585	3.5
154.99887	1.1
155.03546	1.7
158.93896	2.4
160.91812	4.7
162.93422	2.5
173.04607	1.5
173.96251	5.4
175.94148	1.5
178.87988	1.0
185.92606	1.1
201.95639	1.3
217.95245	2.6
227.93642	11.3
229.91557	2.1
231.89503	1.3
241.01218	1.6
245.94693	27.7
273.90503	8.2
279.70706	1.3
289.93741	2.0
315.91608	21.9
316.91885	1.4
327.93359	1.1
333.05890	4.6
333.92755	9.3
334.06348	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	333.1709
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
55.52399	0.5
59.01361	1.0
61.22614	0.6
64.02451	0.5
69.71423	1.4
69.71828	3.5
71.41640	0.5
93.03468	0.8
98.20657	0.6
105.22198	0.6
105.99883	0.5
106.93635	0.6
108.02169	1.6
111.00899	0.8
119.01391	1.5
123.04530	0.8
130.04272	0.9
132.02147	1.3
135.00842	1.0
135.04497	0.8
136.01680	1.2
141.72931	0.6
145.02953	3.5
146.03766	10.9
147.00893	1.8
147.04117	0.8
158.03708	0.9
160.01768	3.1
161.02454	2.9
163.04008	1.0
164.01112	0.8
173.02478	3.2
174.03249	65.6
175.03580	4.0
187.00389	2.1
188.01093	1.5
189.01924	2.0
190.02605	1.0
195.13956	0.9
201.01949	0.7
202.02736	30.6
203.03006	2.3
205.15977	0.6
229.16040	1.1
245.15480	7.0
273.14963	33.7
274.15259	3.9
275.16458	1.1
301.14468	89.2
302.14838	11.2
303.16031	1.5
305.17572	2.9
333.17099	100.0
334.17410	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	333.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
59.01381	44.4
60.01699	0.7
61.98832	1.0
66.03574	0.3
66.18182	0.3
71.01376	0.6
71.70833	0.5
83.05022	0.7
89.02470	1.2
91.04029	1.4
93.03477	0.8
99.01040	0.3
111.08179	0.7
125.09733	0.5
127.11340	1.0
129.09335	0.3
133.03004	1.0
135.04491	0.5
135.08180	0.5
137.02472	0.5
137.09744	11.2
138.10126	0.5
153.09203	1.0
155.10802	100.0
156.11113	5.4
161.02425	0.3
169.69308	0.3
171.10289	27.4
172.10654	1.2
173.11847	0.3
175.98569	0.3
177.01903	0.3
181.08745	4.1
195.13937	0.4
199.09775	20.5
200.10124	1.4
215.13031	0.4
217.10817	40.6
218.11198	2.2
241.10808	1.3
259.11905	1.1
273.13431	21.9
273.16495	0.8
274.13800	2.0
291.14487	81.3
292.14850	7.5
333.15579	41.8
333.19162	4.3
334.15869	3.9
334.19443	0.6
339.05347	0.3
349.00357	0.3
350.87494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27086	0.5
54.87679	0.5
56.80316	0.5
57.03449	0.7
59.01381	42.9
60.01697	0.6
61.98830	1.4
62.60800	0.4
69.41727	2.0
69.42151	3.5
69.82899	0.6
71.01395	1.3
82.88196	0.5
83.05029	0.8
84.12701	0.5
89.02451	0.9
91.04035	2.2
91.88527	0.5
93.86620	0.5
106.48099	0.5
108.87067	0.5
109.02917	0.8
111.08169	0.9
121.68147	0.5
127.11273	0.6
133.03003	0.7
135.04518	0.6
137.09752	11.6
149.02528	0.7
153.09187	1.0
155.10805	100.0
156.11133	5.3
166.91624	0.5
167.63412	0.6
171.10287	26.4
172.10693	1.4
181.08719	4.6
199.09775	22.6
200.10066	1.0
201.39439	0.6
203.11064	2.6
217.10820	40.3
218.11165	2.6
241.10907	1.8
259.11935	1.5
273.13440	20.1
274.13846	1.8
291.14505	83.8
292.14822	7.2
333.02637	1.0
333.15594	43.2
334.15985	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	333.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01379	39.7
69.62125	4.0
69.62532	1.6
78.63722	0.6
81.74741	0.6
83.05027	0.8
89.02485	0.9
91.04040	1.2
93.03462	0.9
99.92153	0.7
101.18610	0.7
111.08189	1.2
125.09677	0.9
127.11330	0.9
137.09743	12.4
138.10043	1.2
144.15759	0.6
155.10802	100.0
156.11133	6.4
171.10291	25.4
171.11815	0.8
172.10579	1.5
181.08733	5.1
195.09312	0.8
199.09758	22.6
200.10139	1.5
217.10817	44.4
218.11171	2.2
235.65514	0.7
241.10855	1.5
259.11826	1.5
273.13422	23.6
274.13727	2.9
278.32785	0.7
290.61877	0.6
291.14493	87.8
292.14835	8.5
298.90106	0.8
309.68707	0.7
333.15540	44.2
334.15915	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	333.138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01463	0.3
58.99605	14.0
59.01378	2.3
60.39202	0.3
63.38608	0.3
70.90260	0.7
70.90597	0.4
74.99113	1.6
78.95914	0.6
79.96272	0.3
85.08131	0.3
87.23562	0.3
87.57537	0.3
97.06595	0.3
97.25607	0.3
102.98615	100.0
103.98951	1.2
113.09673	0.3
119.53121	0.3
120.99677	8.7
122.41203	0.3
133.02991	0.8
139.11301	2.7
152.99600	0.7
163.00717	6.5
177.01811	0.3
203.11208	0.5
203.40796	0.3
287.22269	0.5
319.01178	0.4
333.13559	0.3
334.03912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86983	0.4
59.01374	1.6
59.91429	0.4
61.98837	13.0
67.42188	0.5
69.57648	1.7
69.58072	2.3
71.01400	1.0
78.03488	1.0
78.95908	0.9
80.05065	0.9
81.59198	0.5
88.56264	0.4
92.05069	1.8
93.03499	0.5
94.03000	0.5
94.06637	3.8
104.05083	2.7
105.03486	2.1
106.06647	12.7
107.06970	0.6
108.04571	1.3
109.02968	0.8
120.04588	5.8
121.05354	1.6
122.02544	0.7
122.06146	15.3
123.03268	2.7
123.06435	0.9
131.03777	0.8
132.04587	7.4
133.03003	1.3
138.05637	20.2
139.05989	1.0
140.07228	0.8
148.04050	0.7
148.51907	0.5
150.05652	3.2
152.99632	0.7
155.10815	0.8
159.06831	0.7
166.05110	0.6
173.08563	0.8
174.12883	1.0
183.91702	0.6
189.07980	0.7
213.06664	0.9
214.07411	0.5
215.11917	1.4
217.07335	2.3
231.11354	1.2
241.09836	2.9
243.11330	2.0
259.10968	1.1
271.10770	0.6
289.11951	100.0
290.12311	10.5
333.06503	0.9
333.10898	9.1
333.14633	0.7
334.11133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97997	0.2
59.01376	2.2
61.98836	100.0
70.35409	0.8
71.01403	1.7
73.02933	0.2
74.85493	0.2
77.07471	0.2
78.95931	0.4
85.02993	0.9
89.02464	1.3
93.03538	0.3
101.02471	1.5
109.02972	6.0
113.02494	0.9
119.03555	0.6
119.78747	0.3
133.03012	0.7
133.05400	0.3
134.06172	0.9
152.99615	0.3
160.04097	0.4
161.04617	0.9
168.19563	0.2
171.10274	0.5
180.26050	0.2
181.11378	0.3
187.11089	0.3
190.29474	0.2
204.63190	0.2
227.07150	0.4
270.07709	9.1
271.08197	1.0
289.11679	0.6
312.06094	0.2
312.86758	0.2
333.06204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0618
Annotation	Cedrin
Peak:m/z	Relative Intensity
50.34801	0.2
54.40207	0.3
59.01382	1.1
61.98844	0.7
67.01908	0.6
68.99824	0.5
69.03479	1.1
69.41765	3.2
71.01402	0.4
77.03982	2.2
79.01882	0.3
79.95718	0.3
83.01405	1.7
89.02449	0.3
93.03475	3.6
95.01415	1.9
96.96044	0.4
97.02969	11.1
98.19843	0.6
101.02440	0.5
102.98643	0.5
109.02966	2.3
119.40753	0.3
120.99688	0.3
121.02981	11.5
121.03862	0.6
123.00927	0.7
133.02989	0.9
135.04567	0.4
137.02473	37.0
138.02815	1.7
139.03998	0.5
147.70975	0.3
151.00433	0.4
155.10838	1.0
155.92516	0.3
163.00412	0.7
164.01180	0.3
165.01956	100.0
166.02296	5.1
171.10196	0.4
177.01974	0.3
189.05782	0.3
197.04572	41.2
198.04898	2.0
198.61044	0.3
199.09808	0.5
203.09227	0.4
203.11037	0.6
209.00922	1.4
217.10753	0.3
223.02560	0.6
244.05470	0.3
255.02808	0.4
257.04596	0.9
273.13733	0.4
291.14493	1.1
301.03549	9.5
302.03909	0.8
315.05423	0.4
333.06174	4.5
333.15250	0.4
333.19351	0.4
334.06433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11893	0.4
59.01363	1.1
61.98841	0.6
66.72179	0.4
71.01422	0.4
71.69920	0.6
76.31470	0.4
77.03989	0.5
78.95922	0.4
83.05054	0.6
89.03992	0.7
93.03477	5.8
95.01418	0.5
95.05065	2.0
97.37177	0.4
105.03482	7.4
109.02993	2.6
111.04541	1.5
120.99663	1.3
121.02982	2.1
122.03798	0.8
123.04543	1.6
132.02194	5.9
133.02983	100.0
134.03297	4.3
135.04550	3.4
137.02489	4.5
138.02818	0.5
139.04099	0.8
149.02513	2.1
149.03564	0.4
150.03261	5.7
151.04019	1.7
153.01956	0.8
160.27855	0.4
161.02509	1.2
173.36098	0.4
175.03952	0.5
177.01959	25.8
178.02328	1.3
179.03513	1.4
188.12320	0.4
194.02202	0.5
197.04652	1.2
199.07758	0.5
227.07144	1.1
271.06152	0.6
289.07324	0.5
333.06177	10.7
333.17029	0.5
333.20834	0.6
334.06744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64964	0.4
57.03442	1.0
59.01388	0.9
61.98835	1.5
71.63631	0.9
79.38094	0.5
81.03479	0.6
93.03468	1.0
95.05061	2.0
108.02201	0.9
111.01905	0.5
121.02936	0.7
122.03769	7.5
123.04544	75.6
124.01670	0.7
124.04872	4.0
129.73622	0.5
135.04514	1.0
137.02472	2.5
147.04524	5.4
153.02058	0.6
153.12872	1.9
154.02710	1.4
161.02428	0.5
162.05606	5.7
169.15990	1.6
175.04012	1.8
178.08751	40.1
179.09084	2.6
194.15485	0.8
196.17090	18.3
197.17418	1.5
290.21283	0.6
332.22327	100.0
333.16943	1.0
333.22684	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	332.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53854	0.3
57.03448	0.5
59.01383	5.2
63.35118	0.3
67.01895	1.2
69.03442	0.6
71.01389	3.6
71.66111	0.7
72.99331	0.5
73.02970	0.6
78.95908	0.7
83.01427	0.3
85.02966	1.5
87.00878	0.7
89.02461	2.9
93.03471	5.6
94.06620	0.3
96.08170	0.7
97.01706	0.6
98.39868	0.3
99.00911	0.4
101.02454	2.0
109.02982	1.9
109.05358	0.5
111.00926	0.5
111.04531	1.2
113.02478	1.1
113.99923	0.3
119.03518	1.3
121.03001	0.4
122.06143	0.9
123.04546	0.4
124.04059	0.6
124.07710	5.8
125.07989	0.4
127.03997	0.4
135.04570	0.8
137.02464	1.4
137.04840	3.3
139.65584	0.3
140.07199	0.8
141.51271	0.7
142.01437	0.4
147.04535	2.2
151.04033	0.3
152.07198	100.0
153.07555	5.1
155.03532	1.0
159.04486	0.8
161.04594	0.3
170.08267	0.9
173.04568	6.6
179.03561	0.4
191.05669	1.0
211.04056	0.6
224.06920	0.3
228.53958	1.7
229.04054	0.4
240.04350	0.9
242.05803	0.4
243.02913	0.4
245.05763	0.4
245.12987	0.5
246.06436	2.3
249.05685	0.5
253.05138	0.4
254.05858	0.9
255.03003	0.7
267.06647	1.4
269.08179	2.7
284.03180	1.8
289.11960	0.4
311.05600	2.0
332.08438	0.8
332.13550	2.6
333.09094	7.7
335.45200	0.3
342.43188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1917
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
59.01389	1.4
59.23022	0.5
61.98858	1.1
66.44255	0.7
71.61068	0.7
71.61417	1.3
100.38902	0.6
133.02991	1.3
134.03748	1.0
161.02467	2.7
162.03258	24.7
163.03534	1.9
174.03241	1.2
190.02739	95.1
191.03065	5.2
222.77409	0.6
250.27814	0.7
287.16458	1.3
331.19159	100.0
332.19482	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	331.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74575	1.2
57.03425	1.9
61.72297	1.2
61.98812	1.5
71.61700	2.1
71.62082	1.1
77.68197	1.2
83.05019	3.6
97.06612	2.2
116.93012	1.3
119.05064	1.6
133.06609	1.5
135.08195	1.2
147.08160	1.7
155.14441	2.2
161.09685	1.6
169.15990	2.5
171.13913	3.1
175.11308	5.2
177.12880	12.9
178.13182	1.6
179.14436	7.2
195.13850	1.9
195.17606	1.4
197.15492	9.0
203.10829	1.8
237.68445	1.5
261.18646	2.1
273.01242	1.2
273.18683	6.3
284.94492	1.5
287.20346	9.3
301.21808	2.0
313.25519	3.4
318.63046	1.4
329.24728	1.7
331.26453	100.0
332.26761	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	331.1553
Annotation	epi-Norcembrene
Peak:m/z	Relative Intensity
52.81285	0.3
53.24877	0.3
54.64904	0.2
59.01371	0.8
63.88433	0.3
70.17754	1.3
70.39257	0.3
79.47215	0.3
82.53523	0.3
93.03465	0.5
95.05047	0.6
98.19907	0.3
105.03467	1.4
121.02968	2.6
122.03757	0.4
123.04563	1.4
125.16422	0.3
132.02194	1.0
133.02982	4.2
136.01677	0.5
137.02483	0.3
138.69016	0.3
139.04037	0.4
145.02986	2.0
146.03751	2.7
148.01689	1.5
149.02463	9.2
160.01648	0.5
160.05310	0.5
161.02487	0.9
163.00424	0.5
173.02460	3.0
174.03238	3.5
174.06883	0.5
176.01164	6.4
177.01947	38.5
178.02283	2.4
187.04016	0.7
188.04781	0.3
189.01958	3.1
189.05162	0.3
190.02731	26.2
191.03130	1.6
203.03502	0.5
259.17096	1.4
265.19876	0.3
287.16510	2.7
293.31125	0.3
296.22342	0.5
302.15103	0.4
303.16013	42.6
304.16394	4.8
312.87683	0.3
331.15497	100.0
332.15845	13.5
332.19077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1552
Annotation	Gibberellin A20
Peak:m/z	Relative Intensity
59.01391	0.8
61.98832	0.7
65.03947	0.5
70.85523	1.0
76.99920	0.4
95.05047	0.7
105.03507	1.3
107.04972	0.3
117.03461	1.1
121.02982	1.0
123.04544	0.8
130.04251	2.2
131.05040	0.3
132.02176	4.4
132.05833	2.9
133.02997	4.7
143.04984	0.4
145.06641	1.5
146.03761	29.5
147.04175	1.6
149.91139	0.4
159.04561	0.5
160.05319	3.1
164.93240	0.3
174.03239	19.4
175.03619	1.0
177.01985	0.8
182.11653	0.4
231.17561	5.4
232.17815	0.6
243.17546	1.2
259.17053	6.6
260.17334	0.9
287.16528	100.0
288.16843	11.4
288.19983	0.8
303.15948	0.4
331.15503	75.6
332.15860	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54894	0.9
57.03454	0.9
59.01383	100.0
60.01713	1.2
60.81533	0.7
70.28024	3.5
71.01398	2.5
79.95749	2.3
81.03465	1.3
82.25089	0.8
83.01396	1.3
83.05038	0.8
85.02959	1.1
87.04526	0.9
89.02483	1.1
91.04042	1.6
93.03454	1.5
94.82722	0.7
95.05036	1.2
95.95228	4.8
96.96047	3.3
97.06607	0.9
101.02464	1.2
101.08681	0.8
109.02979	0.9
121.02991	1.1
123.04562	1.3
125.02492	1.6
125.09743	2.3
126.54510	0.8
129.10417	1.1
135.04561	1.9
135.08226	4.8
137.02505	0.8
141.09297	1.7
144.00359	0.7
151.00749	5.0
151.11378	1.1
153.09242	84.5
154.09596	3.7
167.03534	6.2
169.08792	1.2
171.10298	78.6
172.10664	4.6
173.04654	1.1
179.07132	1.0
188.21513	1.1
191.05579	1.5
195.10260	1.6
197.08217	3.7
201.09602	2.3
209.04576	3.1
213.11356	41.3
214.11711	2.9
214.16684	0.8
215.09267	2.8
261.08078	1.4
271.11905	8.4
289.13077	16.7
289.16449	2.2
290.13489	1.2
309.01895	1.0
326.40726	0.8
331.08279	3.6
331.12405	22.3
332.12479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30562	4.2
53.95547	3.1
56.71736	3.5
59.01383	11.6
61.54922	3.4
71.01391	10.1
71.69997	7.1
72.97543	5.3
78.95930	10.3
81.03457	4.0
83.01411	6.8
85.02985	4.9
85.93016	19.4
89.02449	7.7
96.96989	13.9
101.02489	8.7
101.92494	21.1
102.93285	8.0
103.91989	4.4
113.02489	5.0
121.95146	9.7
124.01694	10.8
125.02473	60.7
128.08701	3.8
129.44202	3.8
131.12843	4.0
133.05060	4.8
149.02370	3.9
149.99597	16.8
151.00398	22.8
161.04646	5.4
168.00667	41.6
169.01424	23.0
179.05681	10.3
203.01923	5.6
221.06674	8.2
250.77933	3.9
313.05627	5.8
331.06726	100.0
332.06995	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	331.0675
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
69.03461	2.9
70.98601	1.0
71.20033	0.4
80.18327	0.4
81.03471	0.9
83.01402	1.3
95.01388	0.6
97.02968	2.8
107.01431	1.7
108.02211	0.9
123.00891	4.0
124.01688	14.1
125.02473	57.1
126.02827	2.0
137.02507	0.9
149.99611	25.1
151.00438	2.2
151.04179	0.5
153.02020	0.6
162.99074	0.4
164.51901	0.5
165.02040	0.5
167.03487	1.5
168.00668	55.1
169.01431	8.1
193.01503	0.4
284.35919	0.4
299.36630	0.4
300.22247	0.5
313.05750	5.4
331.06720	100.0
332.07071	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	331.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.3
69.85911	3.3
70.52308	3.3
71.01409	6.9
71.70131	4.8
71.82290	3.4
81.03458	3.7
83.01399	11.1
89.02441	7.8
97.02941	3.6
101.02450	6.4
107.01376	4.3
113.02470	3.3
124.01652	12.3
125.01614	6.1
125.02473	61.7
130.56938	4.0
133.05070	11.0
149.99609	14.9
151.00388	26.3
152.89577	3.5
168.00671	36.8
169.01411	23.2
169.65675	3.6
179.05638	10.0
187.71320	3.5
193.01389	9.3
211.02536	9.4
214.84793	3.0
221.06657	13.7
222.66432	3.4
225.32036	4.4
232.55048	3.6
313.05777	5.6
331.06720	100.0
332.07104	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	331.0674
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03447	4.6
59.01386	4.9
65.00327	4.6
70.65990	1.2
71.01386	2.2
72.97542	0.6
73.02965	1.0
78.95936	0.5
79.01901	0.5
81.03452	3.3
83.01400	17.6
85.02989	0.8
87.00901	0.6
93.03474	0.7
95.01402	1.0
97.02983	1.2
101.02451	2.0
103.57978	0.6
103.91979	0.6
107.01412	9.4
108.02202	14.0
108.17688	0.6
109.02987	3.5
110.02516	0.9
111.00897	1.0
113.02454	1.5
121.02977	1.0
122.03796	0.7
123.00883	0.7
123.04532	1.4
124.01709	2.4
125.02472	56.5
126.02799	1.8
131.01437	1.5
133.05080	4.3
137.02428	1.0
149.02492	2.0
149.99670	1.1
151.00400	52.9
151.03961	2.6
151.05968	0.9
152.00711	2.6
152.03568	1.2
161.04576	3.4
161.85480	0.5
165.01997	1.4
167.03581	1.6
168.00682	4.5
169.01456	32.7
170.01740	0.9
175.00398	7.5
193.01434	6.3
194.88197	0.5
205.01418	1.0
209.89690	0.5
211.02505	2.4
211.06157	1.7
223.02560	0.8
227.31895	0.6
271.08249	2.2
331.06732	100.0
332.06989	7.5
332.10379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.10733	0.4
57.03462	0.7
59.01381	3.4
69.03458	0.4
71.01380	1.0
71.69279	0.6
81.03477	4.1
81.25480	0.4
83.01381	2.1
85.02957	0.8
87.00854	0.5
93.03451	0.7
95.05048	1.1
97.02922	0.9
102.98625	0.6
107.01398	0.8
108.02173	0.4
109.02953	0.6
119.05035	1.5
121.02940	0.7
123.04547	36.5
124.04858	1.2
125.02466	4.5
135.04515	0.6
137.02461	1.4
138.29439	0.4
139.04047	0.9
149.02461	0.8
151.00409	1.6
151.04077	1.1
156.44475	0.4
163.03996	1.8
166.02718	0.7
167.03522	100.0
168.03871	5.4
174.24969	0.5
175.00392	1.2
179.03545	1.1
181.05101	2.7
191.03525	26.5
192.03879	1.7
201.64456	0.4
209.04561	10.8
221.04553	2.9
233.04607	0.6
269.06445	0.4
285.11368	0.8
291.08609	0.6
329.08734	5.6
329.11807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2076
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
50.82156	0.3
51.30902	0.3
57.03442	1.0
59.01389	1.7
61.00796	0.3
61.98820	0.3
62.14997	0.3
69.46687	2.8
85.02934	0.3
93.03461	0.5
106.06647	0.6
109.02976	1.8
111.33457	0.2
116.05070	0.5
117.25146	0.3
119.04995	0.3
121.02973	1.2
121.06612	0.3
123.04531	0.6
129.03487	0.7
130.06612	0.6
131.03792	0.5
131.05063	0.3
132.04572	1.8
134.02393	0.3
135.04550	0.6
137.02400	0.3
144.04582	0.3
145.69757	0.3
146.03781	1.6
146.06122	1.1
147.03287	2.4
147.04527	10.3
148.04019	0.9
148.05054	0.5
149.06114	2.4
158.06099	1.2
159.03323	0.4
159.04532	1.1
160.04066	16.7
161.02432	0.7
161.04826	3.1
167.03502	0.3
169.16000	0.8
173.04849	1.4
174.05623	7.7
175.04082	1.8
175.06390	5.0
176.04747	0.8
176.07196	7.6
177.07527	0.7
194.15619	0.3
196.17070	0.3
198.05588	0.3
199.06335	0.4
202.05121	1.4
203.05885	1.1
209.93506	0.2
210.22646	0.3
216.06601	0.3
217.07449	0.3
220.17027	0.4
260.20145	0.8
270.18704	0.6
285.18484	0.3
286.18161	0.7
288.19601	0.9
301.17975	0.4
303.19540	1.7
312.19717	1.6
313.17960	1.3
314.17633	5.1
315.18094	1.1
330.20746	100.0
331.21109	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	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.62243	0.3
57.03460	0.4
59.01388	4.0
61.98822	0.6
67.38053	0.3
71.01393	10.2
72.01688	0.3
72.65665	0.2
73.02952	2.5
75.28045	0.2
83.01380	0.7
85.02972	3.3
87.00907	0.7
89.02464	1.5
93.03473	1.0
95.01414	1.1
97.02953	0.6
97.56362	0.3
99.00905	1.2
99.04543	1.1
101.02461	5.9
105.16180	0.3
108.01530	0.5
108.02201	4.4
109.02986	2.5
113.02473	4.9
119.03490	0.3
119.05086	0.3
121.02991	3.1
121.06611	0.5
122.03764	100.0
123.00933	0.6
123.04638	11.3
124.04888	0.7
125.02441	0.3
127.04015	0.3
135.04564	1.6
136.07721	0.4
137.02454	2.1
137.06064	1.3
143.03490	0.8
147.03293	0.3
147.04514	1.3
149.02483	0.7
149.06097	0.5
150.03252	0.5
150.05598	2.2
151.04039	0.5
152.01186	1.7
159.03001	1.7
161.04587	11.0
165.05608	6.2
166.99889	0.6
167.03519	8.8
168.03935	0.4
173.04532	0.3
177.05597	2.1
186.61513	0.3
191.05681	0.7
197.04648	0.5
209.04642	0.4
229.21535	0.3
258.96005	0.3
285.09814	2.0
312.10907	1.0
329.05243	0.3
329.08807	7.5
330.08936	0.7
330.12357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.98280	0.9
57.03428	1.1
58.00584	3.0
59.01384	56.6
65.00314	1.1
67.01905	2.6
70.57192	2.1
70.57597	1.8
71.01392	36.1
72.99310	3.3
74.02477	0.8
81.03461	1.1
83.01382	2.3
85.02959	9.1
87.00884	2.1
89.02455	26.4
91.01871	1.9
93.03461	2.0
95.01400	3.2
100.53177	1.0
101.02462	20.7
108.02192	7.2
109.02974	5.4
111.00900	2.3
111.68081	0.8
113.02469	13.7
114.02819	0.9
119.03528	9.7
119.70460	1.0
121.02927	2.2
122.03789	1.3
123.00903	14.7
123.04539	12.9
125.02445	2.0
127.71836	0.9
135.04561	1.5
136.98769	1.0
137.02483	3.9
138.03276	14.1
139.00380	1.0
143.03516	0.9
143.04645	1.3
149.02397	1.7
150.03271	3.0
151.00412	2.9
152.01164	12.1
153.01723	0.8
153.05585	15.0
154.06087	1.0
161.04590	1.1
162.93735	1.2
165.02008	1.3
165.05606	3.1
166.02768	5.9
166.99844	3.2
167.03525	64.7
168.03882	2.8
173.04628	2.4
179.03525	1.4
179.05638	1.2
181.01471	1.1
181.05093	9.7
182.02222	14.4
183.02634	1.2
191.05563	4.3
192.99734	2.2
194.02307	2.3
197.04570	45.8
197.06390	2.2
198.04950	2.6
209.04572	36.0
210.04988	2.3
239.05544	2.8
269.06699	5.6
293.12521	4.0
329.08792	100.0
330.09094	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	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.50072	0.2
57.03451	0.5
59.01367	1.1
65.00327	0.5
66.92344	0.2
71.37701	0.4
74.13482	0.2
77.17766	0.2
81.03471	4.4
83.01391	2.0
89.02480	0.3
95.05045	0.7
99.04553	0.3
107.01430	0.6
114.02496	0.3
123.04545	28.4
124.04860	0.9
125.02463	5.7
149.02458	0.8
151.00394	1.6
163.04044	0.5
167.03519	100.0
168.03860	4.8
191.03470	0.8
209.04553	1.1
329.08817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.61454	0.3
59.01375	0.6
64.86643	0.3
67.51443	0.3
70.46648	0.2
71.01391	0.8
71.18982	0.5
71.19345	0.4
74.68015	0.2
81.03468	0.3
82.64700	0.3
83.01418	0.4
83.91135	0.3
85.02969	0.4
102.94122	0.2
108.02191	53.1
109.02518	1.9
122.03766	0.3
123.04546	21.0
124.04874	0.9
152.01180	37.0
153.01520	1.3
167.03519	100.0
168.03854	4.5
193.38794	0.3
329.08704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0669
Annotation	9-Demethyl FR-901235
Peak:m/z	Relative Intensity
59.01377	4.9
60.32055	0.4
65.00327	4.2
70.99110	0.7
70.99471	1.3
79.21437	0.4
99.06775	0.4
110.00118	0.7
132.02339	0.4
133.02979	2.0
135.00955	0.6
136.98836	4.5
138.82643	0.4
145.02933	0.6
147.04584	1.3
150.59276	0.4
159.04596	0.6
163.00395	2.5
164.98326	1.8
165.99121	0.8
167.10791	7.2
171.04565	1.8
175.04008	0.8
183.04564	1.3
198.03244	0.7
199.03993	6.7
200.04625	0.5
201.01988	3.0
211.04036	0.5
215.03456	1.4
218.79358	0.5
227.03539	4.3
229.01408	0.6
241.04971	0.5
241.13435	2.2
243.03040	3.0
254.77965	0.5
255.03061	1.0
257.04773	0.5
271.02472	54.5
272.02774	4.5
284.03253	2.3
285.04007	1.9
297.04022	0.6
299.01990	55.3
300.02292	4.7
313.03506	6.0
314.04321	100.0
315.04660	9.8
329.06674	68.3
329.23145	1.7
330.07016	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2181
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.60902	0.3
56.54045	0.3
57.03452	1.7
58.00602	0.4
59.01390	1.2
61.42064	0.3
61.98837	0.3
69.03457	1.3
70.26829	0.9
70.27239	0.4
71.01378	1.2
71.44244	0.2
73.02941	0.3
74.19312	0.3
78.95934	0.3
80.02692	0.6
81.02857	0.3
81.03436	0.4
83.05036	1.2
84.02193	0.3
85.02959	6.4
93.03476	0.5
95.05021	0.5
97.02985	1.1
97.06604	5.2
109.06615	0.4
110.03767	0.4
111.08198	0.3
121.02923	0.4
123.08191	0.6
125.09756	1.4
127.07649	0.3
127.11283	2.1
130.65807	0.3
136.98804	0.3
137.09718	1.3
155.10788	0.9
155.14421	1.0
163.11299	0.3
165.12784	1.3
167.14449	1.2
171.10292	14.2
172.10620	0.8
177.12920	1.2
181.12318	0.3
183.13910	5.0
185.11935	1.3
193.12358	1.6
195.13820	0.3
197.11809	0.9
203.10855	0.6
209.11826	1.8
211.13416	24.7
212.13841	1.8
221.11832	3.4
229.14442	14.1
230.14764	0.7
239.12880	2.0
247.20769	0.4
251.12978	0.3
252.06342	0.3
267.10776	0.3
283.11734	3.0
291.19647	3.3
307.46255	0.3
309.20770	0.9
327.21780	100.0
328.22128	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26654	0.4
55.62500	0.5
59.01365	1.7
67.01891	0.6
68.99808	1.0
69.03471	2.2
69.61315	2.5
69.61723	0.7
71.01367	0.9
71.61810	0.5
72.99319	0.9
80.02672	0.8
81.03455	0.7
83.01375	0.8
83.05029	0.8
84.02171	0.9
85.02959	1.5
86.50419	0.4
87.00877	0.5
93.03465	0.6
95.01369	0.4
97.02962	1.3
99.00916	0.6
106.04276	0.4
108.02186	0.9
109.03011	0.8
110.03764	2.8
112.01691	0.7
113.02450	0.7
114.64042	0.4
117.15437	0.4
123.00888	0.6
124.01672	1.1
125.02472	0.8
129.01991	0.5
134.03792	0.7
138.03244	9.1
139.03653	0.5
144.00667	1.0
151.14940	0.5
153.12895	0.7
163.14978	2.5
167.10760	0.5
174.05545	0.5
179.14439	5.3
181.16010	7.0
182.16327	0.5
183.28619	0.4
191.14406	2.5
192.14760	0.5
193.16005	0.9
195.13942	2.7
197.15483	5.1
198.16000	0.5
207.13872	1.4
209.15485	42.7
210.15826	3.4
219.13934	3.0
235.13545	0.5
237.14972	100.0
238.15324	10.0
239.16377	0.6
249.15042	0.6
251.16551	1.2
267.10712	0.6
267.16040	1.2
279.15961	2.1
287.54462	0.5
327.01459	1.1
327.18170	68.0
328.18607	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	327.1815
Annotation	Botryoloic acid
Peak:m/z	Relative Intensity
55.39725	0.7
57.03448	3.1
59.01384	3.8
67.01888	1.0
68.99822	1.9
69.03463	1.1
70.90112	0.8
71.01391	10.7
73.02954	30.4
81.03472	0.8
83.05051	1.2
84.02147	0.6
85.02961	10.8
101.02457	30.1
108.02184	1.0
109.02974	2.8
111.00909	1.0
113.02473	4.9
125.02482	3.1
127.04007	1.4
137.02484	2.3
153.12881	1.9
155.03540	8.9
155.14435	1.1
169.16013	11.1
170.16328	0.8
171.13925	40.9
172.14270	2.1
173.04570	23.6
177.27884	0.8
179.14516	1.0
181.16006	2.2
191.05617	0.8
193.16026	0.9
195.13846	4.2
197.15485	100.0
198.15826	7.1
209.15462	2.2
223.13461	0.7
225.14992	1.1
227.16521	17.3
228.16899	1.4
237.14977	3.7
239.16440	4.4
249.14931	2.2
255.16019	21.2
256.16400	2.4
263.16571	2.1
267.15952	4.7
281.00986	0.8
281.17520	5.6
291.15955	1.5
291.19263	0.8
299.18604	2.1
309.17059	3.1
312.02817	0.8
327.18130	96.4
328.18536	8.7
328.22028	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	326.2337
Annotation	10-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
53.68889	1.5
57.03428	1.6
59.01379	3.5
60.99321	2.6
61.98823	2.1
64.32080	1.3
66.03509	1.6
70.43333	1.3
71.71231	2.2
72.00916	45.2
81.02197	1.4
82.02986	12.7
82.06631	9.0
94.02988	7.5
127.01226	1.3
134.04742	3.8
181.15993	6.6
183.17564	15.0
201.56096	1.6
209.19144	7.7
213.18610	2.3
217.68687	1.6
219.81799	1.5
220.20717	100.0
221.21062	8.6
224.20247	2.7
225.18567	7.2
234.18694	2.1
236.20219	8.0
237.22299	13.3
238.21756	54.7
239.22052	4.0
252.19736	10.0
253.20152	1.6
264.19846	5.5
264.23325	81.7
265.23636	8.3
282.20789	32.6
283.21085	3.0
289.89023	1.6
291.32111	1.4
296.09381	1.8
301.74753	1.9
326.19302	2.0
326.23398	33.9
327.08853	1.8
327.16473	1.8
327.23965	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	326.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76819	0.7
58.71177	0.6
59.01384	4.0
61.98827	0.5
68.01414	2.2
68.67273	0.5
68.99824	0.6
69.03465	0.9
70.44974	1.8
70.45374	0.8
71.01376	1.1
73.02950	1.4
84.04558	18.0
85.02953	2.1
86.06125	1.5
96.04536	2.1
98.06128	1.5
98.20592	1.0
101.02441	0.7
102.05627	8.8
110.06144	0.6
111.18522	0.6
118.91685	0.5
129.01944	1.5
134.04765	0.7
144.28041	0.6
155.14438	1.8
179.14426	9.1
181.16002	6.9
183.17552	1.0
192.17616	1.6
195.13908	1.0
196.17087	84.2
197.15497	2.6
197.17409	7.5
220.20729	11.3
227.16524	0.6
236.20244	1.8
238.21776	35.0
239.22176	3.8
246.18675	1.0
252.39194	0.7
252.88640	0.6
254.21263	6.3
257.45004	0.6
264.19684	11.2
265.20102	1.2
282.20752	100.0
283.21118	10.6
308.18698	4.8
326.19772	32.8
327.16757	0.8
327.20212	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	326.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.9
60.01718	0.9
61.01783	0.5
61.98834	26.7
67.85123	0.4
70.87307	1.0
71.01391	0.9
75.00884	0.5
82.10272	0.4
87.00906	1.1
89.02496	0.6
107.03669	1.5
111.44836	0.5
121.02969	0.7
134.04753	100.0
135.04221	0.8
135.05083	1.7
146.02525	4.1
149.02443	4.5
150.03259	4.1
162.05661	1.0
164.04831	1.5
165.04257	0.9
165.05576	6.7
169.19548	0.4
193.05037	1.2
194.05463	1.8
201.03342	0.5
266.08997	3.4
326.11209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	5.8
59.01393	2.5
62.97607	1.0
66.03487	2.6
70.81359	3.2
82.02991	3.8
82.06609	1.3
84.04560	9.7
84.08199	9.8
94.03003	6.5
100.04066	16.0
101.04368	1.0
110.06141	33.8
111.06493	1.3
112.04073	2.8
128.07199	63.5
129.07559	1.6
129.09404	1.0
153.12875	11.1
169.16035	10.5
179.14438	24.2
181.15993	4.9
194.15524	4.8
195.17421	1.1
196.17091	82.6
197.17406	6.2
207.17542	1.3
209.19197	2.3
220.17094	4.4
221.19203	1.3
238.21776	57.6
239.22192	5.2
264.19687	28.8
265.19913	2.1
282.20752	100.0
283.21109	12.6
285.60544	1.0
308.18698	47.4
309.18970	6.0
326.19745	48.4
327.20126	4.4
339.39264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16166	0.9
59.01379	3.4
61.92164	1.1
85.70399	1.0
98.34892	1.0
127.43948	1.2
134.04756	3.7
149.03877	1.2
165.09251	9.4
171.04523	2.1
181.02971	3.7
186.16597	1.0
192.04565	4.7
193.02982	2.5
194.06169	2.5
195.06317	1.1
207.03273	1.4
208.04068	10.5
209.02542	7.6
209.04356	1.5
235.02785	1.3
236.03473	5.3
237.01955	3.0
237.83115	1.1
238.05122	5.7
239.03426	1.6
243.06622	2.2
252.03033	88.2
253.01241	18.4
253.03456	5.6
264.03040	32.8
264.05417	0.9
265.01382	4.2
265.03958	5.6
266.04633	2.6
267.02762	1.5
267.05383	1.6
268.06311	1.6
279.01776	32.2
280.02521	88.1
281.00748	6.1
281.02948	7.2
282.07782	4.2
294.04111	52.6
295.04532	5.3
296.05869	3.7
308.02032	14.4
310.03305	1.3
311.04395	87.0
312.02829	14.8
312.05502	1.8
326.06729	100.0
327.04578	19.7
327.21851	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	325.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.3
57.03691	0.9
58.02983	6.6
58.43208	0.7
59.01392	2.5
69.03484	1.3
69.54834	5.9
70.03031	0.9
82.03019	2.2
83.15678	0.7
84.04585	1.8
93.04600	1.3
94.03027	3.4
94.09148	0.7
99.05662	6.3
107.06214	0.9
109.07758	3.4
110.06110	3.9
111.05663	14.9
127.08800	40.5
128.09134	1.8
131.76060	0.7
151.11339	0.9
153.06769	1.7
153.12894	11.7
167.03551	0.8
169.16019	33.4
170.16373	2.3
179.14500	1.9
181.16031	3.1
194.15495	4.6
196.17105	96.2
197.15598	1.7
197.17406	7.4
198.18684	1.5
210.18604	2.9
220.17081	2.9
222.18663	1.6
223.92441	0.9
237.14922	1.5
238.21785	23.1
239.22139	2.1
263.21307	9.6
264.19632	2.5
264.22058	1.0
265.14468	2.2
281.22369	100.0
282.22760	9.5
307.20340	3.4
308.18665	2.0
316.46225	0.8
325.17026	2.1
325.21338	63.1
326.21732	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	325.1658
Annotation	Dihydrobotrydialone
Peak:m/z	Relative Intensity
55.01863	1.1
59.01377	1.4
65.28145	0.6
66.34169	0.5
67.01898	4.5
68.30570	0.6
68.99832	2.8
69.03465	2.7
71.01381	1.8
71.05035	3.3
71.27512	1.4
76.40780	0.7
77.00327	0.9
79.33225	0.6
81.03481	2.3
82.19142	0.7
83.01396	0.7
83.05031	4.8
85.02959	1.8
93.03461	0.9
93.87049	0.6
95.01410	3.7
97.02939	1.2
99.04552	0.9
108.02193	1.2
109.02983	1.7
111.00869	0.9
124.01694	4.2
125.02423	1.0
127.03996	1.5
138.03273	0.7
151.14941	4.4
153.01930	0.7
153.12848	3.0
171.13913	2.2
175.14940	2.0
179.14452	2.7
181.16008	32.3
182.16338	2.1
193.16000	19.0
193.17720	1.3
194.16359	1.2
195.13924	5.1
197.15495	3.1
203.14458	0.8
205.15919	3.0
207.13918	1.0
207.17552	1.0
209.15471	9.0
209.19174	2.2
210.15816	1.1
219.17618	1.8
221.15485	28.1
222.15836	2.4
223.17053	1.2
232.34464	0.6
235.13388	1.5
235.17084	3.4
237.12752	1.2
237.14990	17.6
237.18593	7.0
238.15332	1.2
239.16466	0.9
249.14957	37.0
250.15280	3.7
251.16592	1.4
253.18253	1.3
263.16476	1.3
265.14450	100.0
266.14853	9.8
267.16019	1.2
279.15872	1.0
281.17532	3.9
293.13950	5.6
294.14407	1.2
295.15521	1.6
307.15436	1.6
322.14868	0.6
325.16544	18.3
325.19745	0.8
326.16971	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	325.1659
Annotation	Dihydrobotrydialone
Peak:m/z	Relative Intensity
55.01878	2.4
57.03446	1.6
59.01377	1.8
67.01875	0.9
68.99814	9.8
69.03465	9.2
70.61880	0.7
70.62230	2.3
71.01390	17.8
76.67521	0.7
81.03468	4.0
83.01405	9.7
85.02966	12.0
86.03316	0.7
93.03473	1.3
95.01390	2.9
97.02959	4.1
99.00843	0.8
108.02171	2.4
109.02956	2.4
109.90264	0.7
111.00918	1.8
113.02487	10.1
123.00901	3.3
124.01697	3.0
124.22024	0.8
125.02482	6.2
136.01665	1.2
137.02509	0.8
141.01942	3.5
151.00441	1.1
151.14886	1.2
152.01183	0.8
153.01953	3.2
153.12828	2.9
155.14445	1.5
162.03220	0.8
165.01978	1.4
166.99901	1.2
169.15964	4.0
171.13898	3.7
173.04694	0.9
179.14433	4.8
181.16023	12.1
193.16058	1.8
195.13927	22.7
195.17532	1.5
197.15488	100.0
198.15828	8.3
205.16026	1.2
205.97668	0.7
207.17467	1.2
209.15439	4.7
221.15385	2.3
223.13429	19.9
223.17079	2.1
224.13733	2.5
233.15625	1.1
235.13608	1.0
235.17065	2.3
237.14989	12.0
238.15271	1.3
239.16548	2.0
249.14998	6.1
251.12715	1.1
251.16588	3.5
261.14810	1.4
263.16455	1.4
265.14420	16.8
266.14755	1.3
267.15991	23.5
268.16382	1.9
277.14465	52.3
278.14801	6.2
279.16016	18.2
280.16367	2.1
295.15524	31.5
296.15894	5.1
307.15533	27.1
307.18280	0.5
307.19254	0.9
308.15817	3.1
325.16571	17.6
325.65271	1.2
326.16812	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94003	0.2
59.01083	0.3
59.01381	5.3
71.01382	2.4
71.19562	0.5
72.99322	0.3
83.57101	0.2
85.02937	0.5
89.02461	1.8
101.02486	1.2
111.82460	0.2
113.02460	0.8
117.03488	18.8
118.03823	0.8
119.03537	0.6
119.05049	5.2
133.06607	0.5
134.03806	0.4
137.76718	0.2
145.02975	100.0
146.02234	0.4
146.03326	6.1
159.04585	0.7
161.06096	1.0
163.04034	9.2
164.04378	0.6
173.70760	0.2
177.05470	0.4
179.31999	0.2
187.04021	3.7
188.04402	0.3
193.05161	0.5
205.05074	1.1
235.06123	0.7
265.07205	1.9
266.07596	0.3
325.09290	6.5
326.09702	0.9
349.91153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01380	100.0
60.01726	1.6
61.52125	0.4
61.98840	2.4
70.87363	1.0
70.87747	1.0
71.01380	4.7
72.99317	0.7
73.02962	1.3
78.95896	0.5
83.01404	0.6
84.11087	0.5
85.02950	3.2
87.00882	4.0
89.02468	2.3
93.03481	0.5
99.00896	0.8
101.02445	4.3
103.00402	1.0
111.00896	0.4
112.98832	3.8
113.02483	1.8
114.29997	0.4
117.03487	2.5
119.04988	2.4
124.53067	0.4
133.03023	0.5
134.03772	29.8
134.04767	13.9
135.04532	1.0
136.40611	0.5
137.02425	1.1
143.03467	0.5
145.02979	1.1
147.04585	0.8
149.00917	3.1
149.06111	2.5
154.94460	0.5
157.28833	0.4
159.02994	0.8
161.02446	0.5
161.04561	4.3
163.03998	2.1
163.06148	0.6
164.07217	2.4
173.04582	1.0
173.29895	0.4
175.04013	0.4
176.61337	0.4
178.02786	1.2
179.03513	1.1
191.05673	0.5
193.05077	35.4
194.05472	2.3
247.37769	0.5
265.12906	12.3
266.13239	1.1
325.05777	1.2
325.10651	0.6
326.08521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81249	0.3
59.01378	1.2
66.78010	0.3
70.23314	0.6
70.23709	0.6
71.01399	0.7
72.20484	0.3
89.02451	0.4
89.99375	0.3
94.70110	0.3
98.20619	0.4
103.09682	0.3
117.03497	3.7
119.05048	100.0
120.05387	4.8
121.78959	0.3
133.06580	0.3
133.87503	0.3
135.08942	0.3
145.02980	20.0
146.03308	1.2
161.06020	0.4
163.04034	82.7
164.04387	5.0
165.56471	0.3
174.28873	0.3
187.04054	0.8
196.46407	0.3
205.04985	0.4
225.68442	0.3
265.07166	0.5
325.09280	1.6
349.67792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55261	0.5
59.01382	9.9
70.03860	1.4
70.04273	0.9
72.99311	0.5
76.94527	0.4
80.86692	0.5
84.99327	0.9
87.00884	9.2
89.03977	1.4
103.00378	4.8
109.02982	0.7
112.98815	10.9
113.02448	0.5
117.03487	8.2
119.05044	61.6
120.05383	2.7
121.02993	0.4
122.16648	0.6
130.93953	0.4
130.99890	0.6
134.03760	78.3
135.04088	4.2
137.02440	1.2
145.02979	4.7
149.00923	2.3
149.06102	6.0
152.54446	0.4
163.04033	51.3
164.04370	2.0
173.04736	0.5
178.02734	5.1
179.03392	0.4
184.44838	0.4
190.98949	0.5
193.05077	100.0
194.05409	5.9
201.28409	0.4
201.49483	0.4
237.49115	0.4
289.07166	0.9
325.05637	1.4
325.09460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
50.38474	0.3
59.01381	10.4
71.01377	0.8
72.99316	0.8
77.98428	0.3
84.99335	0.7
87.00381	0.6
87.00890	9.9
87.19190	0.3
88.98801	0.6
89.02473	0.3
89.03982	1.3
90.82468	0.3
91.09097	0.3
93.03472	1.0
98.20641	0.7
98.24992	0.2
101.02452	0.4
103.00386	4.2
106.04263	0.3
112.98831	11.6
113.99144	0.3
117.03484	8.7
118.03831	0.4
119.05046	65.1
120.05368	2.9
120.24072	0.3
121.03039	0.5
126.55712	0.3
130.99825	0.6
133.02971	0.4
134.03763	86.6
135.04083	4.4
137.02460	1.5
137.62115	0.3
139.04082	0.4
145.02975	4.9
149.00928	4.6
149.06107	7.2
150.06487	0.7
158.97804	0.3
163.04033	51.6
164.04366	2.8
178.02728	4.0
179.03383	0.3
193.05078	100.0
194.05428	6.8
220.98831	0.3
229.72745	0.3
254.72173	0.3
289.07294	0.8
325.05640	0.9
325.09512	0.9
342.14774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	32.0
59.01381	45.1
70.84359	7.4
71.01387	28.5
72.99305	5.4
73.02956	3.9
78.41740	2.7
85.02969	7.3
89.02467	13.9
96.13049	2.7
99.04539	28.8
101.02459	30.4
113.02485	8.9
115.00377	38.9
119.03545	3.4
125.02470	7.9
133.01456	100.0
133.05089	6.1
161.04587	13.3
163.06165	29.7
181.07205	84.8
211.86005	2.7
223.08218	11.0
325.11325	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	325.0567
Annotation	(2S,3S)-cis-fertaric acid
Peak:m/z	Relative Intensity
51.41841	0.6
54.83769	0.6
57.24855	0.7
59.01383	5.9
59.14300	0.5
61.21568	0.6
71.01405	1.1
71.40726	1.3
72.99327	3.6
80.47632	0.6
87.00889	11.4
88.98854	0.9
89.02451	0.6
89.04008	0.8
89.89577	0.5
103.00419	3.0
112.98814	2.6
113.10073	0.6
117.03477	5.2
119.05050	21.6
120.05394	0.9
130.99850	0.9
134.03763	100.0
135.04053	4.0
137.99164	0.6
145.03012	3.3
149.00935	40.5
149.06116	4.2
150.01294	0.8
158.48309	0.6
158.98987	0.6
163.04028	18.8
164.04478	1.1
167.07387	0.7
173.04520	0.8
178.02734	1.7
179.03647	0.6
193.05078	92.1
194.05423	5.3
243.33810	0.7
277.21869	0.6
289.07227	1.2
325.05737	1.5
325.09637	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	324.2182
Annotation	Tumonoic acid E
Peak:m/z	Relative Intensity
50.62007	0.5
55.01878	2.1
57.03447	4.8
57.35320	0.5
59.01382	2.9
66.06774	0.5
69.03463	4.8
70.36692	0.5
71.01387	0.8
71.69963	1.0
85.02949	1.7
113.02481	0.5
126.09258	1.8
151.11307	1.4
151.44574	0.5
153.12848	3.0
155.14447	3.6
179.14417	1.5
181.16011	7.6
183.01248	1.5
193.15938	0.5
197.15488	1.6
209.15468	14.7
210.15825	0.8
211.17056	23.8
212.17352	1.4
222.15034	0.8
223.17056	1.1
249.14880	0.5
261.18597	0.9
262.21988	0.5
280.22827	100.0
281.23151	12.4
324.22385	0.7
325.14737	3.3
325.18570	2.6
335.74768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30652	0.5
59.01381	100.0
60.01722	1.2
69.59351	2.3
69.59768	1.5
71.01392	2.0
85.02973	1.0
87.00883	1.2
89.02466	1.7
101.02489	1.4
101.06099	63.4
102.06445	1.8
104.26425	0.5
113.02483	0.7
119.03546	0.5
149.02496	0.8
157.54726	0.4
161.04610	4.9
163.28918	0.5
187.03766	0.5
245.48216	0.5
263.11285	3.2
323.13565	1.6
323.17221	0.7
324.14304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01382	100.0
60.01714	1.0
71.01393	3.3
71.70611	0.6
72.99356	0.5
73.02985	0.5
76.47874	0.5
85.02967	1.5
87.00914	0.6
89.02475	1.6
101.02455	2.6
101.06097	65.4
102.06441	2.0
112.04071	0.6
113.02483	5.0
115.07686	1.4
115.76071	0.5
119.03497	1.9
125.02450	0.6
143.03508	0.6
143.07185	1.0
161.04610	3.5
179.05638	0.5
191.05690	0.4
203.05443	0.6
221.06537	0.7
235.09944	0.5
263.11365	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	1.7
60.17944	0.4
69.65144	3.3
69.65489	0.4
71.01397	3.4
89.02470	4.6
101.02466	2.6
102.30907	0.4
113.02479	1.7
119.03514	2.3
120.54917	0.4
131.03601	0.5
136.64105	0.4
138.77342	0.4
143.03633	0.6
161.04640	1.7
179.05612	2.2
195.21237	0.4
200.87233	0.4
263.11270	0.6
304.69296	0.4
304.86392	0.5
323.13196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88502	1.1
57.03451	73.4
58.00592	1.7
58.03768	1.5
59.01381	100.0
65.59227	1.2
66.32778	1.1
67.18149	1.2
70.28825	5.0
71.01386	46.9
72.99316	1.6
73.02951	29.1
75.00890	1.5
79.05532	3.1
81.03464	3.2
82.98537	1.2
83.01394	7.1
85.02961	5.4
87.00919	2.1
87.36887	1.4
89.02457	44.1
91.48890	1.3
91.62430	1.2
95.01418	2.9
97.06597	2.6
99.04533	58.1
100.04861	1.4
101.02457	44.0
113.02461	22.9
113.06092	3.4
114.02866	1.6
117.01964	4.5
119.03524	15.9
123.04557	19.1
125.02486	13.7
131.03534	3.3
132.69035	1.3
141.05638	3.8
143.03532	5.7
149.04573	5.0
153.05589	3.9
161.04584	97.8
162.04936	3.1
179.05624	28.5
203.05669	3.5
233.06644	5.5
233.08707	1.4
263.07693	22.9
277.40228	1.3
323.09824	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	322.239
Annotation	Melophlin O
Peak:m/z	Relative Intensity
51.65593	1.3
57.03445	2.3
59.01370	10.0
65.99853	2.5
68.05047	3.2
71.19723	4.4
84.04529	1.6
85.95862	1.5
94.03004	5.7
98.14495	1.4
100.80781	1.4
112.04031	1.5
122.06083	1.5
126.90527	4.2
181.15988	6.3
183.17584	2.0
197.15489	2.4
197.19118	6.3
207.17575	1.7
209.19121	5.2
215.34697	1.5
223.20671	17.6
224.20998	3.0
232.20778	2.4
233.20828	1.4
237.22041	1.8
249.21181	1.3
250.21751	97.4
251.22090	9.2
260.23938	1.7
278.24887	85.4
279.25293	9.2
299.47977	1.2
322.23911	100.0
323.16953	4.4
323.24533	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	322.8982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66296	1.9
54.53885	1.7
57.84321	2.1
59.01379	37.4
60.99320	12.2
66.13187	1.8
71.69246	4.1
71.94443	1.8
72.63517	1.7
75.00879	4.6
77.54990	1.8
78.10783	1.7
78.95913	34.8
88.98820	100.0
91.65385	2.1
96.92267	1.9
96.96986	22.9
108.90243	5.3
110.89933	33.7
112.89658	10.3
121.62752	2.2
134.92603	9.5
152.93617	5.4
156.99141	5.8
170.90230	3.6
170.97780	3.5
172.89917	4.7
192.91760	3.4
195.05093	12.5
196.92740	4.1
217.26678	2.1
219.44402	2.3
220.46652	2.7
224.92090	16.8
224.94064	2.4
226.62294	2.2
233.00864	2.1
246.88818	3.1
266.06393	2.4
345.07144	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	322.2026
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03418	0.1
58.02971	1.9
59.01386	1.2
61.98845	0.2
62.32187	0.2
69.84481	0.6
69.84898	0.5
81.03455	0.5
83.05016	0.2
85.53037	0.2
95.05051	0.6
97.06610	0.5
109.06610	0.7
112.00270	0.1
114.06403	0.1
120.98439	0.1
128.10841	7.1
129.11203	0.4
130.08759	100.0
131.08223	0.2
131.09108	3.4
135.83821	0.1
165.12924	0.8
172.09854	0.4
264.02957	0.3
278.21231	0.2
292.02545	0.3
322.20239	36.7
323.20593	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0935
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
55.01884	1.7
57.03440	2.7
58.00604	5.0
59.01383	100.0
60.01703	1.8
60.11005	1.0
69.03434	0.9
70.98575	1.9
70.98952	1.9
71.01392	61.2
72.99313	4.9
73.02933	1.7
75.00893	1.2
83.01377	3.0
85.02959	12.2
87.00890	3.2
89.02457	56.5
90.02808	1.8
93.03472	1.7
95.01416	5.9
97.86047	0.9
99.00867	1.4
99.04542	1.5
101.02460	30.8
113.02473	26.4
116.05085	41.2
117.05408	2.1
119.03521	21.1
123.04511	1.4
131.03502	2.5
135.04533	1.0
143.03526	3.7
149.04619	1.2
159.03235	1.5
160.04070	70.8
161.04526	9.5
177.01976	1.7
179.05656	5.4
202.05122	36.3
203.05510	3.8
232.06168	5.6
262.07205	48.5
263.07669	5.0
315.10626	1.0
322.09335	88.2
323.09714	7.8
343.63062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1709
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
52.15409	0.2
54.23841	0.2
55.01891	1.3
59.01377	1.7
61.98807	0.4
67.01897	2.7
68.99805	0.3
69.03103	0.4
69.03461	7.6
71.01372	0.6
71.70134	0.3
72.99306	0.3
80.02663	0.5
83.01401	4.5
83.05031	0.5
91.01919	0.2
93.03455	0.8
95.01400	0.9
95.05030	0.5
97.02968	0.5
106.04259	0.4
108.02193	2.2
110.00126	0.2
110.03787	0.3
111.00907	6.9
121.02947	0.5
122.03765	0.5
123.00898	0.5
124.01691	3.6
135.04472	0.3
136.01669	0.4
137.02438	0.4
138.03242	0.2
139.00378	1.5
150.03252	0.4
152.01180	3.0
174.59125	0.2
179.03366	0.3
180.00632	0.6
181.15971	1.3
183.17570	0.3
201.55814	0.2
203.17984	1.0
207.17552	3.5
209.19125	15.7
210.19431	1.3
219.17577	0.7
221.19107	3.8
222.19418	0.4
231.17601	0.3
233.19119	0.9
235.17035	0.4
237.18619	4.2
238.19011	0.4
247.16997	0.5
249.18611	6.9
250.18944	0.7
263.16495	5.2
264.03125	0.3
264.17041	0.8
265.18076	9.6
266.18390	0.9
275.16531	0.5
277.18109	4.4
277.25372	1.1
278.18475	0.5
287.77481	0.2
293.17584	16.9
294.17902	1.9
321.17087	100.0
322.07043	0.3
322.17435	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	321.1709
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
55.01885	0.9
56.39369	0.1
57.03450	0.2
57.34501	0.1
57.83132	0.2
58.56846	0.1
59.01386	0.9
65.03967	0.1
66.01095	0.1
67.01891	3.1
68.43302	0.1
68.99815	0.5
69.03463	6.4
70.91116	0.1
71.01385	0.4
80.02695	0.5
81.03481	0.2
83.01396	3.9
83.05035	0.2
91.01917	0.2
93.03471	0.8
95.01392	1.1
95.05047	0.4
97.02987	0.4
98.17391	0.2
98.19849	0.5
98.20573	0.8
106.04257	0.5
108.02198	2.2
109.02979	0.3
110.00063	0.2
110.03732	0.2
111.00903	7.9
112.01240	0.2
121.02953	0.5
122.03794	0.8
123.00879	0.6
124.01678	3.3
125.02501	0.2
136.01656	0.4
137.02434	0.3
139.00403	1.8
142.02769	0.2
150.03224	0.5
152.01176	2.9
165.02023	0.2
169.22377	0.2
180.00644	0.6
181.16031	1.2
183.17574	0.4
199.17151	0.2
203.18123	1.0
205.15987	0.3
207.17566	3.6
208.18005	0.3
209.19128	16.0
210.19460	1.4
219.17523	0.5
221.19136	3.7
222.19418	0.4
223.17096	0.3
231.17534	0.3
233.19141	0.9
235.17038	0.4
237.16212	0.3
237.18605	4.3
238.19028	0.3
247.17024	0.3
249.18600	6.4
250.18938	0.7
253.17924	0.2
263.16513	5.3
264.03000	0.2
264.17056	1.2
265.18088	9.9
266.18314	1.0
275.16501	0.5
277.18076	4.5
278.18530	0.2
292.16837	0.2
293.17587	16.9
294.17944	1.9
303.16229	0.2
321.17090	100.0
322.17422	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01719	0.8
61.55332	0.3
66.36207	0.3
69.61311	2.2
69.61720	0.7
71.01392	2.3
85.02954	0.4
89.02470	3.5
93.03530	0.3
98.20639	0.6
101.02476	1.4
113.02501	1.3
119.03499	1.8
159.80823	0.3
179.05734	0.5
181.42897	0.3
264.03152	0.8
289.54407	0.4
292.02643	0.6
307.05014	0.9
322.07437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03445	1.5
58.00605	5.1
59.01383	100.0
60.01716	1.4
71.01392	62.4
72.01746	1.5
72.99306	4.0
73.02959	1.4
77.29755	0.8
80.75713	0.6
82.16967	0.6
83.01418	1.9
85.02968	10.5
87.00875	3.3
89.02460	77.8
90.02800	1.3
95.01412	4.4
98.19839	1.5
101.02459	31.5
101.17842	0.7
113.02470	25.4
113.57327	1.0
119.03525	31.4
131.03546	3.1
135.04576	3.2
141.09245	45.9
142.09633	2.0
143.03526	4.9
149.04613	3.3
161.04620	3.0
179.03650	0.9
179.03964	1.0
179.05637	9.7
300.02905	1.1
321.15540	3.8
342.19482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03457	0.7
58.00596	1.4
59.01380	32.9
62.12044	0.5
69.36155	2.0
69.36581	3.3
71.01387	16.7
72.99308	1.9
73.02946	0.8
74.90462	0.4
77.15887	0.5
83.01379	0.9
85.02952	4.0
87.00889	1.6
89.02455	13.4
92.44239	0.5
95.01415	1.5
101.02459	10.8
113.02469	6.7
113.09740	23.1
114.10014	1.0
119.03519	6.2
127.11297	0.7
141.09235	5.1
143.10841	1.2
147.40086	0.5
155.10852	2.3
159.10289	54.4
160.10567	2.2
161.04550	0.5
179.05580	0.8
201.11337	2.0
226.73016	0.5
246.42920	0.5
321.15549	100.0
322.15958	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	321.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.9
57.03431	2.2
58.00590	2.9
59.01382	88.7
60.01701	1.5
66.21301	1.0
67.26587	1.0
71.01387	70.8
71.41409	2.3
72.01716	1.1
72.99312	4.6
73.02952	6.8
83.01403	5.2
85.02959	22.9
87.00896	3.7
89.02456	47.2
95.01393	4.8
97.06607	2.0
99.00890	4.6
99.04551	2.2
101.02460	37.9
102.02749	1.8
102.30245	1.0
113.02470	24.7
118.98111	1.7
119.03518	22.0
119.04316	1.8
121.02979	2.6
131.03554	2.3
141.05606	2.4
143.03526	4.1
143.87398	1.0
149.02444	1.7
149.04576	2.0
159.03046	1.9
159.06680	1.4
161.04604	12.2
179.05663	3.5
187.09752	1.7
194.02446	1.2
212.09389	1.1
321.11926	100.0
322.12357	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	319.1551
Annotation	Zearalanone
Peak:m/z	Relative Intensity
51.25684	0.5
59.01384	1.1
59.25478	0.6
61.98825	1.2
69.89066	1.1
69.89480	2.9
78.74871	0.5
95.01405	1.1
108.02198	2.3
109.02977	8.9
111.00869	0.8
123.00896	2.0
137.02472	15.2
138.02785	0.7
139.00424	1.2
139.04022	0.7
147.00870	0.6
148.01736	0.8
148.05382	1.0
150.03259	1.4
163.00409	2.3
164.01181	100.0
165.01880	8.7
171.13910	2.3
172.67038	0.5
174.03273	1.5
177.01968	0.6
192.00684	16.2
193.00954	0.9
247.17017	1.1
273.14981	1.3
275.16559	2.8
290.17706	1.2
291.16064	21.6
292.16425	2.4
319.15576	17.1
319.19104	1.0
319.22617	0.6
320.16006	1.1
320.22357	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	319.1553
Annotation	Zearalanone
Peak:m/z	Relative Intensity
56.67289	0.4
59.01375	0.6
61.98843	0.5
67.89091	0.4
69.72567	1.5
69.72999	1.4
70.77711	0.4
71.01416	0.4
71.17746	0.4
72.99302	0.5
92.99419	0.4
95.01399	0.9
108.02206	1.4
109.02981	8.4
111.00867	0.6
117.83808	0.4
119.03580	0.4
123.00896	1.8
124.01701	0.8
135.04527	0.5
137.02477	15.3
138.02867	0.5
139.00447	0.6
139.04103	0.6
147.00887	0.8
148.05347	1.0
150.03242	1.6
152.91113	0.5
162.03229	0.5
163.00452	2.2
164.01178	100.0
165.01904	8.3
171.13937	2.4
174.03296	0.5
177.01929	0.9
192.00662	16.9
193.00977	1.1
247.17036	1.1
249.14929	0.7
263.16470	1.0
273.14896	1.1
275.16525	2.7
291.16034	22.1
292.16394	2.0
319.15527	17.5
319.18463	0.5
320.15842	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1401
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01874	1.3
57.03451	1.9
58.00588	0.9
59.01380	14.3
60.01702	0.5
65.35603	0.3
67.38944	0.3
69.79131	2.1
71.01390	15.7
72.99319	1.1
73.02949	2.7
75.00900	0.5
82.18598	0.3
83.01394	3.3
85.02958	4.8
86.00136	0.5
87.00906	1.7
89.02451	4.0
93.03490	1.7
94.88049	0.3
95.01419	1.3
96.96036	0.4
97.02961	0.4
98.20663	0.3
99.00895	1.3
101.02457	8.6
106.00408	0.3
108.02199	0.4
109.02958	1.1
111.00923	0.7
111.04562	0.4
111.08162	1.5
113.02476	3.2
118.98123	0.4
119.03510	1.3
119.05054	1.1
120.99758	0.3
121.02997	0.5
123.04515	0.5
125.02473	4.3
126.97919	0.3
127.04073	0.3
128.49660	0.3
137.02451	0.9
139.04074	0.5
139.07674	1.2
152.88893	0.3
155.03487	0.3
157.08725	23.2
158.09047	1.1
161.02472	1.0
161.04559	0.4
163.04021	0.9
164.01199	0.7
164.24971	0.3
165.01939	1.2
167.72238	0.3
167.89229	0.3
173.04584	3.4
179.03636	0.5
181.38983	0.3
191.05659	3.2
205.29419	0.3
209.77933	0.3
211.05238	0.3
211.09752	0.4
217.05299	0.3
233.04587	0.7
238.05077	0.4
241.84393	0.3
247.77354	0.3
277.12216	0.6
301.12869	2.8
319.13995	100.0
320.11514	0.4
320.14365	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	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01870	2.1
57.03445	2.2
58.00580	1.7
59.01381	34.6
69.55050	1.5
69.55450	6.9
71.01387	28.2
72.99316	2.2
73.02956	5.1
83.01402	3.0
85.02961	9.7
86.05573	0.7
87.00882	1.5
87.65118	0.8
89.02457	16.3
95.01399	1.8
97.02932	1.0
99.00900	2.1
100.88123	0.7
101.02460	20.4
101.04332	1.1
104.66338	0.7
107.18153	0.7
111.08176	19.6
113.02462	9.7
113.09720	1.1
115.02090	0.7
116.05382	0.7
119.03526	5.8
119.05033	1.8
124.79996	0.7
139.04060	1.1
139.07668	4.2
145.02945	1.3
145.71960	0.7
153.09250	1.6
157.08727	67.4
158.09084	3.9
161.04572	3.0
163.04091	1.5
183.02983	1.6
189.09557	5.0
199.09807	1.7
245.09206	0.8
277.11243	0.8
290.95316	0.8
319.14017	100.0
320.14334	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	319.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
61.98832	100.0
65.62542	0.2
67.46668	0.2
69.46080	1.5
69.46511	1.0
71.01399	0.4
73.17303	0.3
73.49817	0.2
83.01446	0.3
93.03491	0.4
95.05051	0.3
96.96004	0.4
97.02942	0.4
98.95611	0.8
109.02972	2.5
113.02436	0.3
117.03532	0.3
119.05054	0.4
120.53419	0.2
123.04601	0.4
129.10370	0.3
133.03040	0.2
133.37111	0.3
135.04605	0.3
137.02480	0.3
139.04045	0.6
145.02994	0.4
150.89806	0.3
153.53210	0.3
161.02502	0.4
163.03984	0.4
164.07224	0.3
183.03038	0.7
191.05640	0.8
233.16763	0.2
256.09705	0.8
259.13419	0.5
291.13623	0.2
319.14236	0.3
319.16623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94595	0.8
58.02977	8.6
59.01380	83.9
65.46944	0.8
68.78034	0.8
70.02982	33.3
71.01383	4.8
71.05032	22.2
71.69670	1.2
72.00919	1.5
85.02977	1.0
87.05650	6.7
93.03461	4.3
97.04092	4.9
98.61137	0.8
99.04533	6.1
100.29891	1.0
100.88773	0.8
101.02463	1.4
103.62038	0.8
108.08238	1.8
109.02989	1.8
111.04628	1.2
111.05604	1.0
115.05133	2.2
116.07200	3.1
116.95238	0.9
118.03333	5.4
118.98182	0.9
126.09307	1.1
128.07196	40.1
129.05701	1.1
129.06709	10.7
129.07550	1.3
130.03343	34.6
130.96609	0.9
131.03624	1.1
135.04593	0.8
137.02422	1.4
143.04654	1.2
145.03052	1.3
146.08253	87.3
147.06018	3.2
147.08621	2.8
155.03439	0.9
169.09880	0.8
173.04599	5.3
173.05814	0.9
175.04041	2.9
181.92207	0.9
187.41832	0.8
189.05632	0.9
189.07082	5.6
191.05643	5.9
199.10873	8.5
211.05107	1.8
211.09091	3.3
215.09256	1.3
217.11951	19.7
226.86209	0.9
229.10054	5.4
233.04478	1.4
238.04974	1.0
259.11136	14.6
260.11472	1.9
277.12274	100.0
278.12561	8.0
319.13901	4.7
320.07126	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	319.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62073	0.6
65.03962	1.2
70.71798	2.1
73.02948	2.5
81.03469	1.6
83.05034	5.7
84.16321	0.6
93.03474	37.7
94.03816	1.4
99.00901	0.9
103.28970	0.7
109.03022	0.7
111.04546	11.0
117.03481	6.7
119.05046	94.8
120.05372	4.2
129.01929	0.8
137.02469	27.7
138.02829	0.9
145.02982	18.4
146.03307	1.4
150.42961	0.6
152.93146	0.7
155.03531	23.0
156.03899	1.5
163.04033	100.0
164.04376	5.2
173.04526	0.9
220.59203	0.7
297.51758	0.8
319.08237	19.9
320.08582	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0826
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
51.93779	0.9
65.03963	1.2
69.53785	4.6
69.54220	3.9
73.02953	2.6
73.11413	0.9
81.03460	1.4
83.05034	5.7
93.03477	36.1
94.03786	1.5
111.04545	11.8
117.03463	5.3
119.05050	97.9
120.05424	5.0
137.02475	25.4
138.02791	1.2
145.02986	19.5
146.03297	1.6
155.03543	24.8
156.03848	1.8
163.04036	100.0
164.04434	4.9
173.04605	1.7
190.05612	0.9
235.19604	1.2
319.08255	23.5
320.08557	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	319.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.3
59.01385	1.4
59.40003	0.4
67.01895	0.5
69.03477	0.9
69.07758	0.5
71.01380	1.1
71.02920	0.6
71.03241	0.8
71.05027	7.7
73.02970	1.0
77.43139	0.5
80.71519	0.5
81.03490	1.8
83.01406	0.9
83.05034	4.0
85.02964	1.9
93.03472	24.9
94.03830	1.2
95.05042	19.1
96.05382	0.8
97.02968	26.8
98.03312	0.9
99.00877	0.5
102.89828	0.6
108.02161	0.6
109.01752	1.2
109.02969	17.4
110.02520	1.3
110.03304	0.5
111.04533	13.4
115.04025	3.7
116.70272	0.5
117.03484	15.2
119.05048	22.3
120.05392	1.0
121.02987	2.4
123.04559	0.9
128.66493	0.4
133.03036	0.4
137.02470	10.2
139.04034	64.7
140.04401	1.9
144.75241	0.5
145.02980	60.5
146.03279	2.5
153.01965	31.5
154.02274	1.1
155.03520	12.3
158.11710	0.6
163.04033	27.2
164.04393	1.5
165.01956	11.9
173.04558	2.4
183.03008	100.0
184.03337	4.9
191.05618	6.3
203.08289	1.0
271.02567	0.5
283.07257	1.9
295.02557	1.1
296.03299	0.7
319.08228	17.2
320.08551	1.7
343.29660	0.6
343.33932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0461
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
55.01892	1.0
68.25481	0.3
68.89018	0.3
69.03465	0.5
71.05026	7.3
71.53243	0.4
71.53589	0.7
85.36584	0.3
93.03468	1.1
95.05041	14.6
96.05396	0.6
97.02966	22.9
98.03293	0.7
100.22572	0.3
108.02205	0.4
109.02972	13.0
109.63272	0.4
110.03326	0.5
111.04585	0.3
115.04047	3.2
119.05031	0.8
121.02974	0.6
124.01695	0.6
137.02458	1.3
139.04041	51.8
140.04381	2.6
153.01970	28.2
154.02306	1.0
163.04138	0.5
165.01971	10.2
183.03012	100.0
184.03358	4.2
185.97169	0.3
236.99373	0.3
319.04623	0.6
338.50378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
59.58298	0.7
59.70956	0.6
61.98835	100.0
71.25111	0.7
71.25450	1.0
78.95931	0.7
80.44765	0.7
80.89208	0.6
96.96024	18.7
101.03999	2.6
109.02968	0.9
117.03513	1.8
127.05518	3.3
151.00385	0.6
160.39484	0.7
169.02919	0.8
171.04539	26.9
172.04897	1.8
199.04022	96.5
200.04404	7.8
204.34332	0.6
214.06375	12.2
215.06691	1.2
225.01930	2.5
227.03549	1.1
241.05081	2.8
243.02982	40.8
244.03410	3.3
258.05319	36.4
259.05716	2.8
262.08267	0.8
271.02469	1.6
273.07684	44.1
274.07980	4.9
299.05661	1.0
302.04425	0.8
317.06693	28.2
317.14267	17.7
318.07077	3.1
318.14581	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	316.2283
Annotation	17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one
Peak:m/z	Relative Intensity
57.03451	3.5
59.01369	1.4
61.98842	1.0
65.39932	0.6
69.34243	0.5
71.70955	0.7
84.08275	0.5
93.03476	0.6
106.04259	6.5
107.05056	1.8
108.02214	3.0
118.78992	0.6
119.05072	1.9
127.54003	0.5
134.06139	1.8
135.00920	1.7
138.03212	0.8
153.12865	8.1
160.77957	0.6
162.09271	32.5
163.00395	2.1
163.09595	2.2
169.16005	4.7
174.03349	0.8
190.65710	0.5
194.15465	2.5
196.17082	88.7
197.17458	5.7
245.15550	1.1
252.25327	0.5
265.02426	0.6
274.21814	0.9
287.20279	0.7
289.14523	0.8
308.05078	0.6
316.22824	100.0
317.13931	16.5
317.17667	0.7
317.23138	13.2
330.98294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1605
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
50.43935	0.3
59.01384	0.8
63.41366	0.3
64.22791	0.3
65.80495	0.3
71.70905	0.4
80.65937	0.4
111.00956	0.4
133.57907	0.3
145.02943	0.8
146.02597	0.5
146.03761	10.3
147.04114	0.4
158.03630	0.4
159.04468	0.3
173.02455	5.1
174.03252	23.1
175.03674	1.3
187.04013	1.6
201.01927	3.3
201.23293	0.4
202.02737	9.4
203.03206	0.6
287.16544	6.3
288.16940	0.8
315.16043	100.0
316.16367	12.4
316.22287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
61.98833	100.0
69.03472	1.5
71.71793	1.2
88.24892	0.8
111.17126	0.6
131.59964	0.6
142.56552	0.6
155.01102	0.6
162.05539	0.7
167.85338	0.7
179.14476	1.0
181.15997	4.7
187.88823	0.7
191.95078	0.6
209.15448	3.3
253.14499	2.4
327.05756	0.7
327.92383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88114	1.2
58.99593	4.4
59.01379	12.5
65.03954	1.8
69.73678	2.3
69.74075	9.6
71.01397	4.5
73.02961	1.7
81.07118	12.4
82.68687	1.2
84.89011	1.4
87.00883	7.2
95.13274	1.3
101.02509	3.0
102.98621	1.5
103.02258	28.8
107.15211	1.4
108.02221	1.8
109.02977	1.4
121.10293	6.4
128.75772	1.3
135.04555	3.1
136.04846	1.6
147.04625	1.5
151.00482	1.4
155.23438	1.4
167.08867	1.4
185.10081	100.0
186.10385	4.1
191.05569	1.5
203.46228	1.4
255.10614	8.1
273.11697	29.0
315.12833	9.4
315.18509	1.9
315.21820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1087
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
58.00600	2.7
59.01382	77.4
62.23029	0.9
71.01391	41.8
71.11010	1.9
71.11388	1.7
72.99319	2.7
73.02928	1.3
83.01398	3.0
85.02963	8.2
87.00880	1.6
89.02453	43.3
95.01387	4.4
101.02463	28.8
109.02979	10.9
111.36691	0.9
113.02467	17.4
119.03519	18.9
123.03727	1.5
123.04553	22.0
131.03558	1.6
134.03783	1.5
135.00885	1.3
135.04550	77.3
136.04884	3.5
143.03520	2.0
149.04579	1.8
151.04031	1.2
153.01991	6.8
153.05595	31.5
154.05974	0.9
161.04515	1.4
179.05560	2.1
264.64212	1.0
315.07516	5.8
315.10843	100.0
316.11169	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1087
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01887	0.7
58.00598	1.0
59.01382	27.6
59.56450	0.4
65.03960	0.5
69.55345	0.6
69.63183	1.9
69.63614	2.0
71.01389	15.5
72.99319	1.2
75.58987	0.4
81.03470	0.6
82.99369	0.4
83.01404	1.0
85.02959	3.0
87.00845	0.5
89.02454	15.4
95.01389	1.9
95.05035	0.9
99.00897	0.4
101.02460	10.6
107.05037	0.6
108.02175	1.4
109.02972	6.9
113.02467	5.8
118.98091	0.8
119.03531	7.2
121.02985	0.6
122.03741	0.7
123.04543	68.4
124.04881	2.9
135.04547	27.3
136.04907	1.0
141.34198	0.5
141.35841	0.5
143.03574	0.8
151.04065	0.5
153.02040	6.5
153.05598	100.0
154.05936	5.0
179.05649	1.1
315.07300	3.3
315.10840	37.1
316.11111	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	315.0875
Annotation	Aromadendrin 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
51.60867	0.6
53.29218	0.5
59.01377	2.4
59.07831	0.5
61.98844	1.1
65.00329	18.3
69.03471	0.9
71.01399	1.5
71.54290	0.6
71.72032	1.3
72.99319	7.4
73.02954	1.5
81.48544	0.6
83.01389	0.6
85.02962	0.7
87.00891	0.6
89.00346	5.0
91.01919	3.5
95.01382	1.2
97.02955	13.7
101.02464	1.3
105.01935	1.7
107.92274	0.6
108.02185	11.0
121.02972	9.1
123.04532	10.0
134.03758	96.4
135.04619	7.5
136.01675	1.8
136.04855	0.7
138.03284	1.1
149.06104	45.3
149.99625	6.0
150.06422	2.7
155.14471	0.8
160.01700	1.5
161.02353	0.7
163.00366	0.7
164.01212	1.8
165.01952	94.4
166.02223	4.2
169.15984	2.3
171.13931	1.5
175.04018	1.0
176.01138	1.0
178.02658	1.4
179.03519	4.9
181.15996	1.3
183.03046	2.4
190.44225	0.6
191.03493	2.5
195.13910	10.7
196.00130	1.0
197.15495	2.2
199.03995	0.7
209.15489	1.6
210.01674	4.3
225.14960	1.8
227.16516	0.9
237.15025	0.9
241.05086	1.2
255.06688	0.8
255.15997	4.0
265.05011	0.8
283.06091	0.9
284.03299	2.4
285.03998	5.4
299.05591	6.1
300.06326	9.0
315.08743	100.0
316.09076	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
70.13252	2.5
71.01394	3.3
72.45689	0.5
73.02959	0.5
85.02959	2.2
93.03474	0.9
95.01418	0.9
97.91351	0.5
101.02470	1.0
108.02192	100.0
109.03003	30.6
110.03325	1.2
111.11225	0.5
113.02444	0.9
113.92335	0.5
121.02974	1.5
121.77431	0.5
123.00921	0.9
123.04558	1.0
123.29868	0.5
133.02924	0.7
135.04553	0.8
144.06558	0.5
151.04021	1.3
152.01180	67.1
153.01974	25.6
154.02338	1.1
163.03979	1.6
165.01936	2.0
165.81967	0.5
167.18710	0.5
210.87917	0.6
308.26901	0.6
315.07227	86.4
316.04205	0.7
316.07565	6.7
336.11383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01373	1.2
64.98910	0.5
65.37352	0.4
71.01389	2.6
71.69254	0.5
73.02956	0.8
81.03477	0.6
85.02967	2.1
87.92542	1.3
93.03491	0.4
95.01410	1.2
101.02457	1.3
103.92035	0.5
107.05031	0.5
108.02194	100.0
109.02990	38.8
109.03549	0.7
109.03768	0.8
110.03324	1.1
113.02493	1.0
118.98110	0.5
121.02988	1.4
123.00915	1.0
123.04525	1.4
123.94641	0.4
133.03018	0.4
135.00931	0.4
135.04562	1.4
151.04031	1.8
152.01183	64.9
153.01968	38.0
153.03268	0.7
153.05519	0.6
154.02307	1.6
163.04056	1.4
165.01932	1.8
166.55498	0.3
166.71179	0.4
195.03104	0.6
245.94630	0.4
280.34262	0.4
315.07230	86.9
316.07562	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	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.30806	0.2
57.03439	0.9
59.01368	1.1
65.00318	1.2
67.01895	0.6
68.99829	0.9
69.98573	1.0
69.98986	0.5
71.01380	0.5
73.69676	0.2
74.99110	1.0
81.03464	0.8
83.01395	8.1
84.94321	0.2
85.02948	0.5
93.03471	0.6
97.02950	0.3
107.01389	1.5
107.28833	0.3
108.02179	0.5
109.02962	3.8
111.00908	0.4
118.98106	1.3
121.02962	0.3
124.01654	0.3
125.02473	5.6
130.08711	0.3
135.04564	0.5
136.99185	0.6
137.02446	0.4
139.04042	0.7
140.49634	0.3
149.02492	1.1
151.00400	12.9
152.01120	0.9
153.01961	100.0
154.02315	3.6
167.03488	0.6
177.01959	1.2
195.03011	3.1
315.07245	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	314.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29699	1.2
59.01377	10.8
61.98834	1.6
70.86128	1.2
71.01388	2.0
71.71447	1.8
76.95029	1.1
85.30824	1.1
89.02446	1.5
93.03466	8.8
96.96024	3.5
97.06599	1.6
108.02165	2.1
118.03006	9.4
121.02962	7.7
132.04559	2.5
134.03755	4.1
135.04550	6.9
137.02461	2.9
144.04570	4.2
146.02513	7.5
148.04050	8.8
159.91368	1.5
160.04065	5.3
173.04639	1.8
176.03537	7.0
179.03539	5.8
191.05641	4.1
226.08839	3.3
227.07161	5.0
236.07170	21.2
237.07346	1.6
254.08209	100.0
255.06551	1.3
255.08614	11.6
273.07642	2.9
300.02945	5.8
315.05026	3.8
315.09219	1.8
315.12823	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	313.093
Annotation	Pungenin
Peak:m/z	Relative Intensity
52.04980	0.5
55.01870	1.0
58.00598	0.7
59.01381	7.8
65.63553	0.6
71.01384	13.2
71.25747	1.1
72.98900	0.5
72.99310	1.2
73.02937	3.1
75.00875	3.7
83.01386	1.9
85.02952	4.7
87.00891	2.3
89.02453	2.4
93.03472	34.7
94.03790	1.5
95.01381	0.9
95.05038	1.0
97.81468	0.6
99.00899	1.1
101.02470	7.0
107.05048	10.4
108.02142	1.2
109.02996	0.8
113.02477	4.1
113.84048	0.6
119.05068	1.3
121.02970	3.5
123.04547	11.1
129.01964	1.4
133.02994	1.8
135.04561	6.0
137.02480	1.2
147.04439	0.6
149.02460	12.9
150.03256	6.0
151.04031	59.7
152.04398	2.7
159.03024	1.2
161.04578	3.0
162.03247	0.6
163.04099	1.1
198.38867	0.6
213.85670	0.6
253.09183	0.8
269.10455	1.0
291.78577	0.7
313.09293	100.0
314.09656	9.8
317.82483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.95699	0.2
59.01376	0.2
65.00348	0.3
70.58716	0.9
80.59609	0.2
84.69433	0.2
89.17371	0.3
90.61314	0.3
93.02628	0.2
121.02985	0.2
132.02223	0.9
136.85164	0.2
139.97385	0.2
151.00323	0.2
165.01997	0.4
183.04536	0.3
197.15419	0.7
225.14922	0.2
227.03630	0.4
239.03351	0.3
250.04715	0.3
255.02985	90.1
256.03326	7.3
269.04492	0.5
270.05316	6.7
271.05875	0.6
280.04822	0.2
283.02493	35.5
284.02863	3.4
297.04050	1.5
298.04837	100.0
299.05179	10.2
299.08578	0.4
313.07184	84.5
314.07526	9.4
318.40945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1819
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
52.47063	0.3
55.02875	0.4
55.46520	0.3
57.03450	3.6
59.01377	1.4
63.64428	0.4
63.75467	0.3
69.78648	2.8
70.06619	2.3
71.01406	2.0
86.02477	3.9
98.20602	0.8
109.49416	0.4
114.05623	8.2
115.00375	3.0
139.73064	0.4
153.12875	6.5
169.15999	8.7
170.16241	0.7
181.16124	2.0
194.15527	3.0
196.17087	100.0
197.17418	7.6
224.20259	1.1
232.17171	0.5
250.21523	0.4
268.19183	30.3
269.19461	3.6
312.18188	21.2
313.18549	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	313.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12175	1.4
58.02975	13.4
59.01368	2.1
61.79253	1.4
61.98838	18.5
70.00486	2.6
70.00896	6.8
70.02988	5.5
72.00909	2.9
79.85493	1.3
81.56696	1.3
87.04460	1.4
91.05539	4.4
91.66647	1.5
147.04561	19.3
151.04054	3.0
155.67708	1.5
164.07184	66.8
165.07565	2.7
175.86020	1.5
202.30940	1.4
206.08235	100.0
207.08524	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	312.1818
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
59.01373	3.2
66.03497	1.3
66.05848	0.7
68.01411	2.0
68.99812	1.1
69.03465	6.9
70.02990	3.4
71.28017	1.5
72.00910	1.0
72.70019	0.7
81.02176	0.9
94.03001	3.9
96.00940	1.1
96.04561	8.4
121.31936	0.8
122.02500	8.7
153.12897	1.8
155.14450	2.0
160.11343	0.6
171.13927	0.8
179.14424	10.9
180.14783	0.9
196.17128	0.8
197.15515	1.0
203.04268	0.7
206.15518	0.7
207.13972	1.9
209.15417	0.8
210.18677	0.7
216.57925	0.8
222.15048	1.4
222.18504	0.8
222.81198	0.8
223.17058	10.3
224.16550	22.0
225.16924	1.8
238.18210	0.9
250.18120	100.0
251.18459	10.6
253.09212	0.8
255.02863	3.5
264.16016	1.3
268.19165	4.2
283.02579	0.9
294.17120	3.6
298.04929	4.2
312.18811	0.7
313.03888	1.2
313.07162	3.9
313.18039	1.4
313.24066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54298	0.6
70.54693	0.5
73.97872	0.2
77.12996	0.2
79.95715	1.6
85.90896	0.2
98.37361	0.2
98.95626	0.7
119.05032	1.2
145.88966	0.2
170.00456	1.2
183.01233	46.0
184.01955	3.7
197.02820	2.5
198.03616	0.5
211.04422	0.3
213.68295	0.3
216.00981	2.0
225.05898	0.8
230.02388	0.3
239.07480	0.9
244.04030	0.3
247.20631	0.3
258.05701	0.3
276.29868	0.3
311.16873	100.0
312.17197	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.80208	1.3
57.53291	1.4
59.01384	45.5
61.98839	2.9
69.03468	1.4
71.01376	3.0
71.70521	2.7
71.70908	1.6
72.99318	2.6
73.02939	2.1
75.74528	1.3
78.14178	1.4
83.05069	1.7
85.02966	2.3
87.04527	4.5
99.08168	3.1
101.02459	2.1
111.15546	1.4
113.02494	1.6
113.09749	3.2
120.23719	1.4
127.11329	1.9
129.09256	3.3
134.16338	1.6
139.11327	6.2
158.33754	1.4
161.04634	3.1
171.10294	23.1
171.33401	1.4
181.12305	3.2
183.01233	4.3
183.13980	2.6
185.11798	5.1
197.11862	7.1
199.13390	3.6
201.11337	4.8
211.13428	15.1
223.20717	9.0
247.17163	1.6
249.18738	1.8
251.11411	8.3
275.20282	2.8
275.23672	2.0
293.21213	14.9
294.21652	1.7
311.13254	4.2
311.16891	5.5
311.22308	100.0
311.29562	7.6
312.22839	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42085	0.3
59.01381	9.8
68.80141	0.4
71.01382	3.3
72.99321	1.0
73.02954	1.6
75.00883	2.6
83.04998	0.4
85.02961	0.8
87.00887	16.0
89.02454	6.4
93.03472	1.7
96.95996	0.8
99.00886	2.5
101.02457	2.5
103.04015	0.6
105.01953	18.5
109.02927	0.5
111.02010	0.5
117.01989	0.8
119.05047	59.5
120.05386	2.5
129.01950	0.6
131.03543	1.2
134.62622	0.4
135.04541	5.6
141.02397	0.4
147.03015	5.9
149.04582	20.8
150.04987	0.5
161.02467	1.0
161.04570	0.7
163.04033	51.5
164.04367	2.4
165.04065	100.0
166.04405	2.9
170.26453	0.4
179.03503	3.9
229.54382	0.7
251.11336	1.1
267.06671	1.1
282.07669	0.8
297.10101	2.6
311.05029	0.7
311.08331	2.1
311.15216	0.4
311.29544	1.4
312.12415	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	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72157	0.5
55.01872	0.6
59.01377	5.7
69.08573	0.4
71.01389	3.1
71.40965	0.9
75.00813	0.4
83.01400	0.6
87.00889	0.9
89.02455	1.0
90.28738	0.5
93.03493	1.7
99.00881	3.3
101.02473	1.7
109.02988	4.1
110.89262	0.6
111.00897	2.6
119.05048	66.2
120.05389	3.3
123.04598	0.5
135.04558	3.6
137.02513	0.5
145.00177	0.5
147.03011	6.1
148.05139	0.5
149.02541	0.6
149.04565	1.5
149.06108	1.8
155.03436	0.5
159.04521	0.8
159.56731	0.4
162.03198	0.5
163.04034	100.0
164.04358	4.4
165.04082	4.8
173.04567	0.7
175.04079	1.0
177.05588	5.7
178.91743	0.4
179.03542	1.3
179.27861	0.5
193.04996	0.5
219.03062	0.9
219.06575	0.8
221.04559	13.6
222.04799	0.5
239.07275	0.7
251.11392	1.2
253.05084	0.7
254.08163	1.8
267.06583	0.8
268.74689	0.6
282.07748	6.3
296.09244	0.7
297.10080	17.7
311.07980	6.7
311.11279	0.7
312.12408	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53729	0.6
59.01384	11.9
69.03445	1.7
70.60994	2.1
71.01376	2.7
82.57257	0.7
83.01410	0.8
85.02953	1.1
89.02451	1.0
93.03449	1.4
97.02950	2.7
99.00907	1.4
101.02426	1.3
105.07108	1.0
107.05003	1.1
108.02209	0.8
109.02974	24.0
110.03275	0.8
111.00896	5.1
113.02469	0.9
119.05051	1.9
121.02939	1.5
121.06606	1.1
123.04551	1.3
130.04262	1.0
131.05028	1.1
133.02977	1.5
134.03722	2.3
135.04552	30.4
136.04897	1.5
137.06099	0.9
143.05048	8.8
145.02968	1.4
146.03770	1.3
147.04553	3.8
148.05281	2.8
149.01048	1.0
149.02417	2.6
149.06110	27.2
150.03229	1.3
150.06500	0.8
151.03978	1.5
159.04558	3.8
159.29521	0.8
160.05359	1.5
161.02483	1.8
161.04752	1.2
161.06100	13.4
162.03230	2.0
163.04034	2.4
163.07767	0.6
165.05643	3.2
171.04550	11.5
173.06052	0.7
174.03256	3.9
175.03992	2.3
176.04759	1.0
177.05597	100.0
178.05977	6.2
179.03470	2.5
181.05229	0.7
186.40735	0.6
187.04021	1.1
188.04811	2.2
189.05595	81.1
190.05913	4.3
191.03554	1.6
191.05566	0.8
201.05675	1.1
203.03575	1.0
207.06639	9.0
207.08456	1.0
219.03030	1.8
219.06627	2.1
221.04564	29.2
222.04881	2.4
231.06631	1.4
233.04367	0.7
249.07770	1.7
251.05580	0.8
251.11409	1.8
263.05737	1.1
267.08823	6.9
293.06689	1.6
311.07816	23.3
311.29532	1.5
312.08084	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	310.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83342	0.5
57.03413	0.9
59.01374	3.6
61.98806	0.9
64.81148	0.5
65.26249	0.5
66.03499	3.8
68.05012	0.6
69.03403	1.4
70.31784	2.2
71.05030	5.8
77.00609	0.4
79.95728	2.3
80.05023	2.1
82.06627	5.6
83.05034	0.6
84.08160	1.5
95.95203	0.6
96.96028	16.2
97.95941	0.5
98.20552	0.5
98.95582	1.3
110.09728	0.7
112.11353	4.3
119.05052	0.7
128.07159	0.8
138.09274	0.6
153.12891	5.6
156.10284	1.0
168.33488	0.5
169.16005	3.6
179.14394	0.6
181.16005	63.7
182.16394	3.5
183.01234	32.1
183.17566	7.5
184.01994	9.3
194.15364	0.5
196.17122	0.7
197.02832	1.2
207.16281	1.4
210.15796	0.6
213.15053	0.5
216.01013	4.5
225.15013	1.6
225.22214	1.1
248.23878	6.2
249.24263	0.6
264.23303	4.5
266.24890	45.9
267.25214	4.1
285.22076	0.7
310.17877	22.4
310.23843	30.1
311.16876	100.0
311.24106	3.9
323.47363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
58.43382	0.1
59.01386	1.9
61.98830	0.7
64.34377	0.1
66.03495	1.6
68.01061	0.3
68.01414	3.0
68.99789	0.2
69.03461	0.1
70.02985	15.8
71.01369	0.1
71.19255	0.3
83.05024	0.5
84.04552	0.6
85.02958	0.2
86.06133	0.2
86.44004	0.1
94.02973	0.5
95.05016	0.3
96.00914	2.1
99.00887	0.2
100.04053	0.3
110.06131	0.5
112.04063	4.4
112.04836	0.3
112.07702	4.8
124.04010	0.2
128.07201	0.3
130.93091	0.1
138.05609	1.6
141.25636	0.1
151.04033	0.3
151.07649	0.7
151.14902	0.2
152.04398	0.3
152.08087	0.6
153.08887	0.3
153.12878	1.1
155.14415	0.6
156.06686	6.3
157.06958	0.2
169.16000	0.3
170.15567	0.2
171.13960	0.3
178.16040	1.9
179.14436	6.3
180.14799	0.4
183.13925	0.4
194.15509	0.3
195.13916	0.3
196.17053	1.5
197.15485	45.5
198.15826	3.1
201.09724	0.1
201.11269	0.8
209.11436	0.1
209.15462	0.5
210.15849	1.1
222.15031	0.5
223.13208	0.2
224.16568	100.0
225.16899	7.5
238.18181	0.2
238.21777	0.4
239.12498	0.2
251.11514	0.2
253.10437	0.2
253.78745	0.1
266.21240	32.6
267.21576	3.6
282.20868	0.5
292.19608	0.3
293.21286	0.3
310.17319	2.0
310.20309	14.7
311.22159	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	310.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15801	0.3
57.72961	0.3
59.01378	6.7
61.98834	100.0
71.00811	0.8
71.01170	0.3
71.01398	0.7
85.56872	0.3
93.03487	0.4
95.64233	0.3
101.02433	0.6
103.61600	0.3
107.01381	0.5
134.02545	0.5
161.04585	0.8
163.00420	0.8
166.89825	0.3
178.01488	0.8
178.99886	0.6
191.02310	0.9
202.72495	0.4
206.01042	1.2
210.18605	2.1
223.01318	0.7
238.18163	0.6
251.11380	1.2
282.07816	0.8
310.07239	6.6
310.17056	0.5
310.20370	0.8
311.07620	0.4
311.22391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.29421	0.3
55.61097	0.3
56.61692	0.3
57.03451	0.4
59.01376	2.1
61.98849	0.4
62.04311	0.3
69.03448	0.4
71.01387	6.7
71.05043	0.5
73.02946	0.9
74.99103	0.4
81.03477	0.8
83.05034	1.6
85.89088	0.3
96.96036	0.3
97.02989	0.8
97.06621	0.8
98.20262	2.0
98.65916	0.3
99.04542	2.4
109.02972	0.5
111.04543	3.6
123.00856	0.5
127.07716	0.4
137.02493	0.4
137.06123	0.7
138.03249	0.3
148.26656	0.3
151.04016	0.5
151.07655	1.3
152.08455	1.1
153.12865	0.9
155.14417	0.9
169.15996	1.0
171.13916	2.0
179.14377	0.5
181.16034	0.5
190.49408	0.3
197.15486	100.0
198.15825	7.3
209.15488	2.3
221.19145	0.4
223.17021	1.2
224.02757	0.4
225.02553	3.2
225.18716	1.5
226.02669	0.3
233.15605	0.3
235.17090	0.4
236.14162	1.2
237.18584	0.4
251.16554	0.5
252.10172	0.3
263.20206	0.4
265.18082	3.0
265.21106	0.4
265.21622	0.4
266.24731	0.4
291.19687	0.9
293.08899	7.0
294.09030	0.6
309.17120	4.7
309.20731	12.8
309.25421	1.6
310.17819	0.3
310.21161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.90542	0.7
52.28301	0.7
55.01884	1.8
55.31078	0.7
57.03453	0.6
58.00600	1.4
58.69235	0.6
59.01382	100.0
60.01719	1.2
70.54510	0.6
71.01389	22.6
71.05042	0.9
72.99316	2.1
73.02950	6.5
74.17550	0.7
74.99113	0.8
75.00857	0.7
75.05376	0.6
78.95932	1.0
79.92812	0.7
83.01405	1.9
83.05052	0.8
85.02969	7.7
87.00901	2.3
87.04515	3.6
89.02458	15.3
95.01421	2.1
96.96949	1.3
97.40891	0.9
99.00914	1.5
99.04572	1.1
101.02465	20.1
101.06116	1.2
103.87572	0.6
111.04561	1.2
113.02473	8.5
117.01968	4.5
119.03530	7.0
129.05603	10.7
135.04538	0.9
143.03531	1.6
147.06657	6.6
159.03004	1.6
159.06667	2.6
161.04581	11.6
165.43149	0.7
179.05675	1.3
189.07771	0.9
249.09755	10.2
250.10146	0.7
260.27188	0.9
309.11935	58.5
310.12271	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	308.187
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
51.99529	0.8
54.09119	0.5
57.03452	8.5
58.02980	1.3
59.01383	3.0
60.48039	0.5
61.98851	0.9
67.01926	0.6
69.42709	1.0
69.43117	5.0
71.01393	0.8
73.20052	0.5
80.96562	1.1
82.02993	20.9
83.05038	0.8
84.04558	44.5
85.04889	1.0
93.03479	0.7
94.02999	7.5
97.06584	0.9
98.19843	1.2
99.00892	0.6
99.08282	0.6
110.06142	6.9
113.09718	1.1
127.11935	0.5
135.02560	0.5
137.04840	1.4
141.09239	0.9
141.12831	0.6
151.04027	1.0
151.06599	0.7
151.07655	3.8
151.11342	0.8
152.08485	1.3
153.12854	2.0
154.10030	0.6
165.12894	1.0
167.14447	0.8
169.16005	19.6
178.24936	0.6
179.14436	100.0
180.03967	0.6
180.14778	6.1
181.12357	1.4
182.56519	0.6
193.16066	0.7
195.13901	1.4
196.20122	0.6
197.15451	0.9
200.49864	0.5
209.15475	4.6
211.13391	1.9
213.14882	0.7
219.17635	0.6
220.17061	2.7
220.20636	1.3
221.15543	1.5
221.19142	1.6
222.18666	2.9
223.13434	2.8
236.16682	1.2
236.20203	1.7
240.13777	1.0
244.17113	0.5
246.18575	1.5
247.20850	1.2
249.04329	1.2
264.19659	28.0
265.20062	2.1
273.18625	1.3
281.21149	0.8
291.19653	17.7
308.18686	61.4
308.86002	0.6
309.17197	4.6
309.20798	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.83352	0.4
60.01714	1.2
70.20343	1.5
71.01392	3.0
72.37070	0.4
73.02961	0.5
82.03008	1.4
83.01403	0.5
85.02942	2.2
88.98814	3.8
89.02457	0.7
93.03474	0.5
96.04607	0.5
96.96986	1.1
98.02480	2.5
101.02460	1.7
107.05049	0.7
108.02251	0.5
109.03009	0.9
113.02490	1.0
113.62751	0.4
119.05035	0.7
121.02979	0.8
124.01723	1.7
125.02510	0.7
126.03306	0.5
133.02969	3.5
134.03252	2.3
135.04544	18.8
136.04874	7.3
137.02504	0.4
150.03247	1.2
151.03978	1.5
161.02472	5.1
161.04607	1.7
162.02805	6.5
163.04074	1.2
175.04044	0.6
177.01953	1.1
177.05609	0.4
179.03516	5.8
180.03859	6.2
180.06715	1.5
191.03525	0.6
200.07300	0.7
205.05070	0.7
219.03012	0.6
246.07841	0.9
248.11519	0.6
258.87616	0.4
262.07178	3.0
290.07047	1.7
308.05045	0.8
308.08545	7.6
309.06088	2.5
309.11896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.95984	2.4
57.03441	7.0
59.01380	21.7
69.47848	5.0
69.48250	26.1
75.80225	2.6
79.95737	7.2
80.96548	3.8
81.03471	7.6
83.01403	10.1
83.05022	7.5
96.96017	3.3
97.02968	7.6
97.06602	9.1
101.02414	3.3
109.06592	4.2
110.77626	3.2
121.10192	3.5
123.04530	11.9
123.08171	5.8
125.02446	3.9
125.09763	15.5
135.04539	5.7
137.06203	3.2
137.09731	13.7
149.06085	3.2
161.02481	3.8
163.11285	18.0
171.10378	3.6
179.03555	6.3
179.10764	4.0
181.12416	6.1
185.11852	24.8
191.10857	4.8
191.14455	24.4
207.10220	12.3
209.11853	52.3
209.15392	3.4
210.12195	3.8
211.13271	3.7
225.11360	12.2
230.37212	3.4
233.15456	5.3
245.19077	39.5
256.27536	3.1
263.16489	8.2
263.20102	3.4
289.18100	100.0
290.18396	10.3
307.15512	27.0
307.19150	53.5
308.15994	5.1
308.19028	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03440	1.0
58.00576	1.2
59.01383	34.2
60.21579	0.5
69.03456	1.7
71.01391	18.6
72.99315	2.4
73.02972	1.1
83.01394	1.4
85.02967	5.0
87.00906	2.4
89.02455	17.7
93.03480	0.8
95.01402	2.0
96.96028	0.9
97.02978	0.6
98.02498	0.8
99.00936	1.1
99.08173	23.5
101.02462	13.1
109.02995	0.7
113.02476	7.1
113.09724	1.0
119.03532	6.2
119.05089	0.6
127.07700	5.3
129.09245	1.1
133.02979	2.5
135.04553	3.0
138.38185	0.6
141.09264	1.7
143.03523	0.7
145.08733	57.8
146.09116	3.2
149.04630	0.6
161.02454	2.3
161.04611	0.9
179.03531	2.7
187.07686	1.1
187.09772	1.9
193.05125	1.1
202.06136	0.6
271.00061	0.6
271.56311	0.6
307.14005	100.0
308.14371	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	307.1401
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01869	0.8
55.05704	0.4
57.03448	0.8
58.00605	1.7
59.01382	35.8
60.01764	0.5
69.64472	3.1
71.01390	19.4
72.01749	0.5
72.99337	1.9
73.02964	1.8
76.27688	0.4
81.74246	0.3
83.01396	1.8
84.02219	0.5
85.02963	5.3
87.00896	1.4
89.01908	0.9
89.02460	15.5
93.03471	0.5
95.01400	2.0
99.00922	0.6
99.08179	18.4
100.08543	0.7
101.02460	13.5
104.79827	0.4
111.00912	0.8
113.02470	6.8
113.09734	0.4
119.03522	6.6
120.99678	1.0
127.07676	5.2
129.09250	1.8
133.03027	0.4
135.04549	3.0
141.09245	1.5
145.08736	54.4
146.09088	2.9
161.02463	1.3
161.04602	1.0
176.04050	0.7
179.03522	3.2
179.05614	0.8
180.03822	0.5
187.09773	1.7
307.14005	100.0
308.09006	0.5
308.14383	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	307.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.3
69.58190	10.2
71.01364	2.8
72.00906	1.9
72.04554	21.9
80.88700	1.9
86.01978	1.5
87.05640	11.7
88.04057	14.8
91.05544	6.1
96.96043	1.4
97.04083	4.4
99.05648	6.8
100.04056	100.0
101.04416	2.0
101.19019	1.4
109.04079	3.7
113.03564	1.7
114.01997	2.5
115.05151	92.7
118.06664	2.2
134.03757	22.4
135.04544	11.0
144.03043	58.4
145.03352	1.4
147.04514	5.6
161.02464	3.0
173.07056	1.8
176.07190	15.8
177.01891	2.0
179.03529	4.4
189.06767	2.3
190.05090	3.1
201.10373	10.3
205.75166	1.4
219.11391	3.1
220.06126	2.6
235.10875	53.4
236.11281	1.7
245.09335	28.5
261.08786	5.1
263.10370	16.3
264.03024	1.7
264.10614	2.2
275.09055	2.1
289.08340	6.8
293.03125	2.3
307.08823	7.1
307.12469	8.0
308.05667	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97553	0.3
56.81540	0.3
57.03438	0.4
59.01381	1.6
59.92836	0.3
62.23804	0.3
71.01410	0.5
71.40167	0.4
71.40538	1.1
79.40895	0.4
83.01367	0.4
84.49596	0.3
85.02948	2.9
87.00903	0.8
93.03481	0.5
107.05045	1.3
108.02242	0.4
109.02975	3.8
117.03465	0.4
121.02969	0.8
124.50562	0.4
133.02977	7.3
134.03836	2.8
135.04546	98.8
136.04889	4.4
137.02444	0.8
149.02490	0.5
149.06062	0.6
150.03255	7.4
151.03979	1.3
157.05116	0.4
159.04567	0.6
161.02473	18.7
162.02806	0.5
175.03986	0.4
175.07770	0.7
177.05544	0.5
179.03525	100.0
180.03859	5.5
185.00807	0.4
203.03549	0.7
289.07211	2.8
307.08224	29.1
308.08527	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	303.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01712	0.9
70.68091	0.8
70.68417	1.1
81.09115	0.5
114.02029	0.5
168.13960	1.1
173.96004	0.5
225.18608	21.0
226.18970	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	38.6
64.55627	0.5
66.40472	0.7
67.58447	0.6
68.71429	0.7
69.99419	3.4
97.65113	0.7
101.85645	0.6
168.13953	100.0
169.14311	8.3
212.12888	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	306.9759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22395	0.2
57.02652	0.2
59.01373	0.8
61.98834	100.0
62.98548	0.3
71.40706	0.5
71.41024	0.4
73.01920	0.3
78.78277	0.3
83.75816	0.2
85.14201	0.3
106.71449	0.3
121.02963	0.5
161.98990	1.4
162.98579	0.9
163.98766	0.4
164.96413	72.0
165.96489	3.9
179.03526	0.3
180.47188	0.3
199.16446	0.3
206.97461	27.9
207.97603	2.2
247.04477	0.3
251.69749	0.3
286.15979	0.3
306.97568	25.1
307.97641	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	303.1603
Annotation	Rubaferin
Peak:m/z	Relative Intensity
59.01378	0.8
65.99351	0.4
66.19126	0.4
71.46581	0.9
74.57740	0.4
75.66027	0.4
79.86929	0.4
85.16343	0.4
89.73788	0.4
123.86903	0.4
126.37521	0.4
133.02994	0.9
141.86743	0.4
161.02426	2.7
162.03247	23.4
163.03615	1.3
190.02736	98.7
191.03046	5.1
303.16022	100.0
304.16315	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	303.0513
Annotation	cis-Dihydroquercetin
Peak:m/z	Relative Intensity
57.03450	16.8
59.01379	3.5
63.02395	0.6
65.00337	3.0
65.00616	0.6
66.62845	0.6
68.99843	0.6
69.69810	4.1
71.01369	0.6
74.02474	0.6
75.51385	0.6
81.03467	1.1
83.01398	6.4
93.03495	1.4
95.01419	0.8
97.02970	0.7
98.02477	3.4
98.19973	1.3
99.00871	0.5
107.01385	3.6
107.21577	0.6
108.02216	1.1
109.02992	4.4
111.00908	1.4
116.05080	3.5
118.98068	0.6
121.02960	3.0
122.03782	1.1
123.00864	0.6
123.04548	7.1
124.01679	2.5
125.02469	100.0
126.02776	3.0
133.02940	0.7
137.02489	5.5
139.04060	2.0
142.06642	1.2
143.05081	1.3
145.03070	0.7
145.71141	0.6
147.04533	3.0
149.02477	5.8
150.03255	6.8
151.00391	9.4
151.04024	9.3
152.01189	4.6
153.01953	10.9
159.04578	1.1
161.02425	1.4
161.06154	0.9
165.05614	1.6
169.01387	0.9
171.04585	1.8
173.02464	1.1
173.06050	0.9
174.03242	3.5
175.04025	18.3
176.04332	1.0
177.01959	19.5
178.02248	1.0
178.99889	10.0
181.01482	2.0
186.05544	0.6
188.04810	2.5
189.05612	5.4
193.05103	2.9
197.06024	1.0
198.03101	0.6
199.04015	10.2
201.01924	3.8
203.08292	4.5
213.05612	1.7
215.03506	0.8
215.07295	0.7
216.04250	1.6
217.05075	10.3
223.08784	1.4
231.06674	1.3
241.05081	6.0
241.10008	0.7
242.05309	0.6
243.02888	1.4
257.04385	1.3
259.06097	6.6
260.06500	0.7
274.03189	0.6
275.05621	7.2
276.06049	0.7
285.04062	70.0
285.08566	3.9
286.04437	7.6
303.05188	13.3
303.08920	1.4
304.05466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0932
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
59.01382	1.5
67.01884	0.4
71.01379	0.4
74.99121	0.2
91.16176	0.2
93.03472	5.7
98.20662	0.4
110.88246	0.2
116.59489	0.2
118.98118	0.6
121.02971	7.3
122.03262	0.3
123.00906	0.6
137.02483	0.6
138.03230	0.6
139.04034	100.0
140.04370	3.5
165.01920	0.5
181.04971	0.2
185.57620	0.2
242.02571	0.2
301.09222	2.6
302.04010	0.2
302.09677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80227	0.4
59.01385	2.1
61.98819	1.0
71.20308	0.8
78.95879	0.4
79.95744	5.2
91.45543	0.3
95.95256	0.9
96.96025	100.0
97.95936	0.4
103.62402	0.3
120.97044	0.3
121.02934	0.4
130.86313	0.4
135.04643	0.3
146.44165	0.4
151.00388	1.4
178.99879	0.7
206.18074	0.4
225.05565	0.4
253.05045	0.4
273.03918	0.4
301.03442	3.0
301.14801	94.1
302.15118	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	301.0356
Annotation	HIERACIN
Peak:m/z	Relative Intensity
51.74906	0.3
59.01379	0.8
63.02401	7.1
65.00327	12.9
69.80201	1.7
70.77367	0.3
81.03461	0.4
83.01396	8.7
88.56527	0.2
93.03470	4.3
95.01389	0.6
98.20631	0.3
106.06641	0.3
107.01409	21.9
108.01712	0.7
108.04591	0.6
108.99385	0.4
109.02961	2.7
121.02976	19.0
122.03333	0.7
123.00885	0.3
124.01712	0.4
124.07675	0.3
125.02499	0.8
129.09280	0.5
133.02960	0.4
135.04527	0.3
136.07677	1.6
137.02489	0.5
139.04033	2.3
145.03020	0.3
147.04518	0.4
148.01724	0.4
149.02463	2.8
151.00395	60.6
152.00723	2.0
155.04987	0.3
157.06633	0.4
159.04524	0.9
161.02466	1.5
161.06041	0.3
163.00392	1.2
163.04030	1.0
164.01210	1.5
165.01949	1.2
169.01462	5.0
169.64050	0.2
171.04619	0.3
173.06197	0.3
175.04025	0.8
178.99879	20.9
180.00185	0.7
183.04538	0.6
185.06059	0.3
187.04025	1.4
189.01871	0.4
192.00696	0.5
193.01526	1.4
199.03990	0.5
201.05591	0.7
203.03568	0.5
205.05045	0.5
211.04010	1.0
213.05582	0.4
215.03549	0.5
217.05034	0.3
227.03490	1.6
229.05133	1.7
230.02202	0.3
243.02954	0.5
245.04588	2.0
250.38333	0.3
255.02936	1.1
256.03677	0.7
257.04495	1.2
257.12894	2.7
272.02921	0.5
273.04022	3.2
283.02475	0.6
284.02991	0.4
299.02066	0.6
301.03543	100.0
301.20193	2.4
302.03857	8.7
303.88782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	Rhynchosin
Peak:m/z	Relative Intensity
57.03460	0.9
59.01376	2.7
60.00222	0.5
62.03699	0.5
63.02402	6.5
65.00330	14.9
67.01913	0.6
70.87158	1.3
70.87491	0.5
75.42495	0.4
81.03481	1.0
83.01393	10.2
91.01907	1.1
93.03475	20.9
94.03830	0.7
95.01402	1.9
98.51164	0.4
107.01407	23.8
107.05082	0.7
108.02247	0.9
109.02967	8.2
111.00880	0.9
117.03507	3.0
119.01450	0.8
119.05031	1.1
121.02972	14.0
122.03785	0.8
123.00880	1.3
124.01682	3.6
124.02449	0.6
125.02466	6.8
131.05049	0.6
135.00897	2.1
135.04559	3.0
136.05316	1.3
137.02483	3.0
139.04048	1.8
143.05023	1.3
145.02974	2.0
148.01619	0.5
149.02464	2.4
151.00394	65.4
152.01199	10.5
153.01939	4.0
155.05046	0.6
157.06583	0.8
159.04526	4.6
161.02469	4.4
161.06078	1.4
162.99022	0.6
163.00386	10.5
163.01674	0.9
163.03984	1.6
164.01102	1.0
164.04799	2.0
165.01944	1.4
167.05046	1.0
169.01454	5.0
171.04568	1.5
173.06100	1.2
174.03268	0.6
175.04047	1.0
177.05684	0.9
178.99886	24.8
180.00246	1.1
181.01445	0.7
182.03751	0.6
183.04552	2.0
185.06076	1.6
187.04025	3.2
189.01920	0.7
191.00003	1.0
191.03540	1.3
192.00769	0.7
195.08200	0.8
196.03787	0.5
199.03998	1.7
200.04498	0.7
201.05650	4.7
203.03539	1.0
205.05136	0.7
206.99365	11.8
208.00128	8.0
211.04060	3.1
213.01964	0.7
213.05627	1.2
213.09180	3.4
214.02704	0.6
215.03543	2.4
217.08662	0.6
227.03526	3.4
228.03928	1.6
229.05077	5.1
237.90289	0.6
239.03421	0.9
242.09270	0.6
243.02972	1.2
244.03323	2.4
244.07384	1.7
245.04549	33.8
246.04929	2.3
253.05029	0.7
255.02954	6.9
256.03366	3.9
257.04535	4.6
259.09732	10.4
271.02414	1.6
272.02802	8.3
273.04034	46.4
274.04343	3.3
283.02496	4.1
284.02869	0.6
286.08432	0.8
287.06165	0.5
301.03506	100.0
301.10568	8.6
301.20215	1.2
302.03824	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	89.7
60.01707	1.0
61.98826	1.2
70.43832	1.1
70.44202	0.7
74.83716	0.3
74.99356	0.4
113.11336	0.4
114.98901	1.0
115.02539	7.6
115.98979	0.5
116.98685	0.8
117.00466	13.1
117.24959	0.3
118.00652	0.8
119.97906	0.5
141.00507	0.8
156.90268	0.4
156.99959	1.7
157.03616	2.0
157.90826	0.6
158.90935	0.4
159.01520	100.0
159.90640	0.6
159.97386	1.4
160.01651	7.0
196.76132	0.4
201.02573	22.5
202.02774	2.0
210.80055	0.4
217.00510	1.3
241.00580	0.4
259.01617	3.7
260.01471	0.5
283.01505	0.5
301.02679	50.8
302.02844	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	300.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82837	0.2
59.01376	0.1
63.02395	1.4
65.00323	2.3
69.40699	1.4
79.12671	0.2
83.01392	1.3
91.01906	0.4
93.03498	0.4
95.01395	0.3
107.01411	4.0
108.02197	3.7
108.92423	0.2
109.02422	0.1
109.02986	1.2
111.00871	0.3
119.01389	0.3
120.02193	0.5
121.02971	2.0
123.00944	0.3
124.01696	0.7
133.02982	0.3
135.00896	1.6
143.05070	0.4
145.03014	0.2
147.00905	0.6
148.01698	4.6
149.02422	0.4
151.00407	8.6
152.01163	0.3
154.04330	0.2
155.05019	0.4
157.03098	0.2
159.04558	0.7
161.02422	0.2
163.00423	2.0
164.01169	1.8
165.01952	0.2
167.05064	0.2
169.01463	0.6
169.02826	0.2
171.04558	1.1
173.02396	0.1
174.03304	0.3
175.04045	0.4
178.99883	2.4
182.03705	0.3
182.23422	0.2
183.04597	1.5
185.02501	0.3
185.06090	0.1
187.04028	1.7
188.04579	0.2
190.99864	0.3
192.00644	0.6
197.02452	0.3
198.03233	0.7
199.04019	3.9
200.04454	0.5
201.01962	1.7
201.05574	0.3
202.02582	0.1
203.03532	1.0
211.04015	2.5
211.76076	0.2
212.04559	0.2
213.01962	0.5
214.02605	0.3
215.03535	2.8
216.04297	0.9
225.01762	0.1
226.02730	3.0
227.03503	7.2
228.03932	0.7
229.01402	1.2
229.04990	0.4
239.03450	0.3
242.02213	0.6
243.02989	19.3
244.03366	1.9
245.04559	0.7
253.01532	0.2
254.02209	2.4
255.02989	32.8
256.03351	3.2
257.04596	0.2
271.02478	73.6
272.02881	8.7
273.03888	0.5
283.02490	0.5
299.02097	2.1
300.02756	100.0
301.03375	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1139
Annotation	Salidroside
Peak:m/z	Relative Intensity
51.68659	0.7
55.01878	1.9
57.03452	1.3
58.00605	4.6
59.01382	100.0
60.01706	1.2
69.55562	5.9
71.01390	56.0
72.01715	1.3
72.99296	3.4
73.02956	2.0
74.07271	0.6
81.98793	0.6
83.01410	2.9
85.02966	12.6
87.00913	3.3
89.02459	72.0
90.02792	1.0
93.03473	32.4
94.03820	1.7
95.01408	4.1
99.00903	1.1
101.02463	33.6
102.94353	0.6
113.02467	23.1
113.03243	1.3
114.02784	0.8
119.02666	1.1
119.03542	32.4
119.05037	38.3
120.05408	1.5
123.03311	2.2
123.81718	0.6
125.02484	0.8
131.03546	2.3
131.29356	0.7
137.02470	60.3
137.06038	3.6
138.02841	2.4
138.05632	34.9
143.03528	3.8
149.04587	1.8
161.04599	2.7
165.04436	0.6
179.05608	3.7
209.21593	0.6
299.08124	1.0
299.11316	5.8
300.11005	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	299.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03460	2.2
58.00597	4.1
59.01381	100.0
60.01721	1.4
71.01389	53.8
71.69131	1.0
72.99327	4.5
73.02948	1.9
75.00900	0.7
83.01396	2.2
83.20007	0.6
85.02962	11.7
87.00890	3.1
89.02456	74.4
90.02814	1.0
93.03471	51.4
94.03820	1.7
95.01385	3.3
100.33161	0.6
101.02458	31.4
109.03028	0.7
113.02468	23.6
113.03248	1.3
114.02823	0.7
119.02658	1.2
119.03541	31.5
119.05038	40.0
120.05400	1.5
123.03325	0.8
131.03528	2.4
137.02467	93.5
137.06056	3.3
138.02791	2.5
138.04552	0.8
138.05626	14.7
143.03503	3.1
149.04602	1.6
161.04564	2.5
166.46338	0.6
179.05640	4.1
265.83719	0.6
299.07864	1.4
299.11246	7.3
300.10764	0.8
306.27106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.7
60.99297	1.2
61.81087	0.7
63.56821	0.7
65.24456	0.7
70.27933	1.3
70.28335	2.0
71.01380	7.2
72.99287	0.7
74.99093	3.1
78.27100	0.6
78.95908	4.1
83.01369	1.1
85.02961	2.0
87.00869	1.0
88.98815	7.7
89.02455	6.1
92.02406	0.7
93.03468	72.4
94.03805	2.6
96.96006	1.4
96.96952	1.6
101.02470	3.4
102.26495	0.8
102.98622	0.9
113.02447	3.4
115.30929	0.7
119.03483	2.0
119.05062	2.3
121.03043	1.0
123.04543	1.0
135.04530	1.3
136.01680	1.5
137.02464	100.0
138.02792	4.0
138.05649	2.5
145.03012	1.6
167.03543	1.2
179.03549	3.2
191.05548	1.1
202.71643	0.7
208.93517	1.1
239.05656	1.9
291.04050	0.8
299.04407	1.3
299.07617	8.9
299.16595	2.6
299.25983	1.9
300.04968	1.7
303.36124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
55.01860	0.3
57.03423	0.4
58.15178	0.3
59.01376	4.8
65.03951	0.3
67.10818	0.3
71.01391	4.2
71.03001	0.8
73.02953	0.6
85.02948	1.4
89.02458	3.3
93.03472	61.0
94.03815	1.8
101.02455	2.5
110.05690	0.3
113.02445	1.7
119.03549	1.4
119.05048	1.6
137.02470	100.0
138.02806	4.5
138.05623	1.1
161.04579	0.6
162.05594	0.3
299.07834	1.4
299.10846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0564
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01458	2.1
69.04956	0.6
71.62170	1.2
83.01469	0.8
91.03842	0.5
107.01519	1.7
123.00999	0.6
132.02289	0.7
133.03085	1.4
134.03891	0.6
138.05737	0.8
145.03056	1.6
148.01700	0.5
151.00391	3.0
163.00500	0.6
167.08789	0.9
171.04608	0.7
187.04129	0.6
199.04060	1.0
203.59972	0.5
211.04051	0.9
211.07820	0.7
215.03615	0.6
217.00357	0.7
227.03484	2.6
239.03595	0.6
240.10382	1.8
243.03017	0.8
255.03023	2.4
256.03781	28.9
257.04166	2.1
271.02521	6.1
284.03275	100.0
285.03635	7.9
285.10046	0.9
285.67178	0.6
299.05606	80.5
299.16507	2.3
299.25891	2.0
300.02707	3.2
300.05978	6.0
300.12299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Diosmetin
Peak:m/z	Relative Intensity
53.00858	0.5
57.00644	0.6
59.01382	3.1
61.98890	0.6
63.02456	0.8
65.00376	0.6
71.69749	0.9
75.61049	0.6
79.43566	0.6
83.01448	1.0
84.04659	0.6
85.02964	5.0
107.01483	2.4
109.04169	0.7
111.00998	0.6
121.03002	0.8
127.04363	0.7
127.05137	3.5
128.03654	0.9
133.02962	5.9
134.03818	1.5
137.02527	0.8
138.05670	0.9
139.11368	0.8
145.03017	2.1
145.06227	2.8
148.01759	1.6
151.00470	2.2
153.64359	0.6
169.01480	0.7
170.15508	1.5
187.03966	0.7
199.04060	1.1
211.04057	0.6
212.04800	0.6
217.00504	0.7
227.03551	1.9
237.19759	2.6
239.03508	0.7
239.16545	2.7
255.02925	2.4
256.03741	3.8
271.02466	3.7
283.02460	1.4
284.03268	90.2
285.03629	6.2
298.24911	0.8
299.05606	100.0
299.16498	3.0
299.19647	6.9
299.25635	1.1
300.02661	2.7
300.05954	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16853	0.4
57.03455	0.4
59.01372	1.6
59.37584	0.4
60.99310	13.3
64.57841	0.4
68.08932	0.4
71.01382	1.0
71.69358	0.5
71.69736	0.5
75.58195	0.5
76.84310	0.4
78.95905	3.9
85.02956	0.6
88.98820	100.0
89.99178	0.6
91.56475	0.4
93.03467	2.3
96.96980	1.2
102.98623	1.2
112.98823	0.9
119.03487	0.4
125.17936	0.5
137.02499	5.0
152.07263	0.5
179.03548	0.5
182.71364	0.5
217.26027	0.5
239.81467	0.5
248.10167	0.5
299.02084	0.5
299.07800	0.9
300.04965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.02
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
52.17878	0.4
52.31380	0.4
59.01379	2.5
61.98815	0.7
63.02414	3.5
65.00334	1.3
69.48318	1.6
69.48745	3.3
72.16245	0.4
83.01387	1.2
84.66980	0.6
93.03467	0.7
95.01341	0.5
99.00874	0.5
99.92661	0.5
104.32883	0.4
107.01397	3.2
109.02971	4.5
115.05578	0.6
117.03478	0.7
119.01370	0.5
119.05012	0.7
126.56657	0.5
133.02979	7.4
133.66539	0.4
134.03337	0.8
135.00871	1.5
137.02457	1.0
138.05582	0.5
143.05055	2.7
145.02983	3.0
147.00876	1.3
147.04553	0.9
149.02469	0.5
151.00352	2.2
155.05054	1.6
157.02936	1.8
159.04503	0.8
161.02524	0.9
161.06068	0.4
169.01393	0.4
171.04543	6.0
171.91830	0.5
173.02431	1.9
175.04015	3.5
182.03757	0.6
183.04509	0.8
187.04086	3.5
189.01974	1.4
189.05692	0.8
197.02504	1.4
198.03236	2.0
199.04036	12.7
200.04454	0.8
201.01947	5.0
203.03430	0.8
213.01961	0.6
214.02536	0.7
215.03528	4.6
226.02765	3.2
227.03522	6.1
229.01442	0.6
241.01553	0.7
242.02229	2.0
243.03029	5.8
244.03450	0.6
255.02959	2.4
271.02478	77.0
272.02798	6.8
299.01990	100.0
299.16403	1.5
299.25861	1.1
299.69232	0.6
300.02499	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	299.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57407	0.4
59.01382	100.0
60.01714	1.2
69.53087	2.9
69.53504	0.9
132.19562	0.4
157.03596	5.9
159.01508	3.1
201.02582	83.4
202.02725	8.2
255.34398	0.4
299.16449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62535	0.9
52.43139	0.8
58.16427	1.0
59.01380	1.8
60.99300	2.7
70.02986	2.2
70.10781	1.0
71.05044	1.8
71.46773	2.4
72.00915	52.3
82.02992	13.2
82.06637	11.0
83.05042	0.9
87.40827	0.8
94.03004	8.5
95.93982	0.9
132.52544	0.9
146.75980	1.0
153.12865	6.3
155.14441	16.0
156.14818	1.0
169.15961	1.7
179.14478	1.2
181.15985	10.1
183.13925	2.0
183.17569	2.3
185.15472	1.6
192.17596	100.0
193.17938	8.1
194.15543	3.4
196.17148	1.3
196.24341	1.0
197.15479	7.7
197.17075	1.4
206.15504	2.1
208.17075	9.1
209.19131	11.7
210.16885	0.7
210.18628	63.2
211.18991	5.0
224.16501	4.9
236.16838	4.5
236.20209	75.9
237.20468	8.0
254.17630	34.5
255.17940	3.1
287.50458	1.2
298.20276	31.6
299.20673	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	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.24827	0.5
57.03430	0.6
59.01382	10.3
61.98812	0.7
71.01389	0.9
71.70868	0.7
71.71248	0.5
77.35973	0.5
91.66367	0.5
101.02438	1.1
141.12891	1.4
155.10828	11.4
161.04523	0.6
171.10283	1.0
183.01222	4.9
218.06282	0.6
237.09830	1.7
261.22409	0.6
265.18100	1.6
279.23297	10.6
280.23618	1.4
295.22632	0.6
297.15387	11.1
297.24365	100.0
298.15668	1.3
298.24722	9.5
308.81006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1193
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
53.70458	0.7
55.01886	1.3
57.03450	0.9
58.00599	2.2
59.01382	100.0
60.61396	0.8
65.16119	0.7
70.08060	2.8
70.08472	1.6
71.01388	43.3
72.99320	3.1
73.02950	5.5
75.00898	1.2
78.95940	0.8
81.03442	1.0
83.01414	3.0
85.02962	11.9
85.25810	0.7
87.00912	2.7
88.98840	2.1
89.02456	53.5
90.99236	0.8
91.00440	0.9
95.01421	3.1
96.96992	1.0
98.19936	1.2
99.00900	1.3
101.02460	32.4
103.04053	1.7
105.01968	1.3
108.33749	0.7
108.53988	0.7
113.02472	18.3
117.05618	1.0
118.55260	0.9
119.03525	19.1
125.02401	0.7
131.03564	1.7
135.04582	2.1
135.06659	19.0
143.03519	4.0
149.04616	1.9
157.15791	0.7
159.03101	1.3
161.04587	13.2
179.05623	16.3
193.03630	0.9
202.78143	0.8
204.68991	0.7
212.37025	0.7
237.09811	10.7
297.11902	32.4
297.24316	1.1
298.12387	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	297.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.5
59.01382	100.0
60.01727	1.2
61.98855	1.6
62.46212	1.0
63.46852	1.0
69.03462	4.6
71.01393	4.4
72.00917	5.6
81.03456	1.2
81.79046	1.0
82.02989	2.2
82.06664	1.2
83.01394	3.5
85.02957	13.8
87.00887	1.1
89.02444	2.4
97.02962	2.9
99.00896	3.8
99.04545	4.1
99.92595	13.0
101.02427	2.0
113.02457	5.6
116.92868	1.7
123.00699	3.3
124.01665	1.3
125.02489	5.1
127.44245	1.3
143.03525	2.3
153.12923	2.3
155.14427	2.4
159.01537	2.3
161.04579	1.1
169.15991	4.0
171.13936	2.0
179.14464	1.8
181.16013	8.0
192.17586	15.6
193.16023	1.8
195.13939	22.5
196.14378	1.6
197.15530	6.3
197.17160	1.6
205.16011	1.0
207.17645	1.1
209.15474	3.4
209.19164	4.0
210.18581	6.1
211.17030	1.6
215.16531	94.5
216.16898	7.4
221.15599	2.3
223.17096	2.5
225.14955	3.1
235.13339	1.4
235.17062	1.4
236.20175	9.9
237.09958	5.0
237.15005	10.7
239.16618	2.1
253.18126	1.6
254.17668	3.6
265.14447	12.5
266.14636	1.5
267.15997	7.3
279.15955	6.4
297.17072	24.9
297.24365	11.0
298.08792	7.2
298.17252	2.9
298.20340	4.5
298.24521	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	297.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53915	0.3
54.60044	0.3
59.01385	6.2
71.01394	0.8
71.42298	0.4
71.42625	0.5
72.99316	0.9
74.56687	0.3
75.00887	0.7
76.31226	0.3
79.95752	0.6
85.02965	0.4
85.88412	0.3
89.02458	0.6
96.96027	100.0
97.96008	0.5
101.02468	0.6
109.02962	0.3
110.83757	0.3
113.02493	0.6
113.31834	0.3
120.82948	0.3
135.04538	1.4
144.00156	0.3
155.10811	2.2
161.04623	0.5
171.10303	3.2
195.10329	0.4
199.09746	0.4
217.10800	7.8
218.11147	0.4
237.09836	1.4
255.06641	0.6
269.43622	0.3
297.06525	29.2
297.13638	1.9
297.24396	3.7
297.27628	0.6
298.07144	1.5
298.09952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01923	1.0
57.03446	1.1
59.01368	2.1
62.36401	0.7
66.03477	1.3
69.03442	3.6
71.05024	7.5
71.41470	1.7
82.96635	0.8
98.09764	8.0
98.72832	0.7
111.06646	0.7
120.72887	0.7
124.07677	1.6
142.08751	2.1
151.11377	0.9
153.12862	9.9
154.13217	0.9
155.14436	1.7
161.72202	0.8
169.15967	3.2
179.14378	1.3
181.15994	100.0
182.16356	7.5
183.17552	12.1
194.15498	1.1
196.17085	1.1
207.16356	1.8
208.17131	1.3
209.23657	0.8
211.20746	1.3
234.22246	9.2
249.73447	0.7
250.21768	7.6
252.23312	72.7
253.23663	8.2
296.22314	50.6
297.15305	3.0
297.22711	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	296.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97906	0.5
59.01380	5.7
61.98821	1.4
69.03461	15.6
70.02938	0.5
71.01378	0.6
71.05024	0.7
80.02678	0.9
81.03464	0.9
83.05067	0.8
84.04552	0.9
85.02929	0.8
86.02493	4.5
89.02473	0.9
95.05054	0.7
96.00922	2.6
99.00908	1.5
102.41061	0.6
107.69603	0.6
112.04066	7.2
114.05644	1.4
124.00445	3.2
142.05135	8.3
151.11313	0.9
153.12901	3.6
155.14473	0.6
159.16434	0.5
159.61661	0.5
169.03835	1.7
171.13922	1.4
179.14532	3.5
181.15985	5.9
182.16306	0.6
188.33604	0.5
195.13852	0.6
201.02802	1.8
209.15579	1.0
211.17024	1.2
222.18520	2.5
224.16580	0.7
237.09778	1.5
238.18117	3.3
248.16647	1.0
252.06648	1.0
254.23055	0.7
258.01901	0.5
266.17599	4.3
268.19141	2.4
278.17627	1.5
278.74701	0.5
296.18698	100.0
297.13727	0.9
297.19089	9.5
297.24249	3.0
297.27518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1868
Annotation	N-(3-Oxododecanoyl)homoserine lactone
Peak:m/z	Relative Intensity
55.01880	2.7
57.03447	5.8
59.01380	6.8
61.98806	0.5
63.51702	0.5
68.99837	0.8
69.03465	4.9
69.44271	3.9
70.02985	6.2
71.01381	1.6
71.05024	1.3
81.03493	0.7
83.01398	0.7
83.05001	0.5
85.02963	3.5
89.02444	0.8
97.02982	0.9
98.06127	1.2
98.19819	0.7
99.00882	1.1
101.02469	0.9
110.06127	1.1
111.00964	0.5
113.02457	1.8
125.02484	1.6
128.07188	2.3
143.03542	0.8
151.11284	2.0
153.12898	2.8
155.14439	5.5
169.15997	2.1
171.13899	1.0
176.57649	0.4
179.14456	1.4
181.15962	6.4
195.13936	6.9
195.17677	0.6
196.17075	1.5
197.15486	23.7
198.15883	1.4
209.15482	22.6
209.45135	0.4
210.15810	1.3
210.18657	2.8
211.17039	11.9
212.17424	1.2
221.15486	5.4
223.17081	0.6
225.15053	0.7
237.09804	1.4
237.14940	2.7
239.16684	0.6
243.40977	0.5
252.19684	100.0
253.17635	0.7
253.20050	8.5
265.14441	2.5
267.15973	2.8
278.21149	0.9
279.15991	1.6
296.14774	0.6
296.22217	4.6
297.17200	5.1
297.24310	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	296.1865
Annotation	CHEBI:56080
Peak:m/z	Relative Intensity
55.01881	0.4
55.50262	0.2
57.03436	0.5
58.42067	0.2
59.01379	3.4
59.56933	0.2
61.98820	0.4
66.03493	0.6
69.03459	15.2
70.03795	0.4
70.69255	0.2
71.01376	1.1
71.05018	0.8
71.72025	0.4
72.99322	0.3
80.02684	0.8
81.03478	0.4
82.02988	0.3
83.05035	0.8
84.00915	0.4
84.04556	2.1
85.02978	0.3
85.77926	0.2
86.02481	5.0
89.02433	0.2
94.03005	0.5
94.54584	0.2
95.05034	0.3
96.00932	2.1
96.04565	0.4
98.02471	0.3
99.00900	1.9
101.02428	0.4
112.04065	7.9
112.04855	0.4
114.01992	0.4
114.05617	1.0
123.00891	0.5
124.00426	3.8
124.04021	0.2
139.02759	0.7
142.05121	8.5
151.11282	0.7
153.12877	3.7
154.96385	0.2
155.14380	0.4
161.04585	0.3
168.70006	0.2
169.03839	1.6
171.01790	0.4
171.13948	1.6
179.14427	3.1
181.15994	6.1
182.16283	0.3
191.14384	0.3
193.16051	0.2
195.17607	0.3
197.15475	0.5
199.13528	0.2
201.02788	2.2
204.17603	0.4
209.15463	1.6
210.18637	0.4
211.16972	1.2
220.17027	0.5
221.17204	0.2
222.18637	7.1
223.19055	0.3
224.16537	0.8
234.18643	0.4
237.09787	0.6
237.14938	0.3
238.18132	6.0
239.18515	0.3
243.04329	0.2
248.16533	1.8
250.14751	0.2
250.18106	0.6
252.19731	1.1
266.17593	7.6
267.17932	0.8
268.19183	3.5
278.17618	1.7
296.18677	100.0
297.11966	0.3
297.13779	0.4
297.19083	8.5
297.24344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
52.68840	0.9
57.03433	2.3
59.01381	14.8
61.98825	1.4
70.49660	2.9
71.01390	1.9
83.05025	2.8
83.33891	0.9
101.02484	1.0
103.99113	0.8
113.09741	2.4
115.00377	2.2
119.05061	0.8
120.05730	0.8
133.01447	2.9
137.95090	0.8
149.09497	0.8
159.80087	0.8
163.04025	0.9
183.13896	2.7
195.13919	19.3
196.14209	1.1
209.19139	2.7
243.34895	0.9
251.23779	1.1
252.23428	2.0
277.21753	16.5
278.22116	2.1
295.22797	100.0
296.23077	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	295.0461
Annotation	cis-coutaric acid
Peak:m/z	Relative Intensity
59.01381	9.1
60.99313	6.3
71.01386	1.8
72.99311	2.0
76.83335	0.7
87.00887	9.7
88.98821	39.8
89.02443	1.3
90.09779	0.6
93.03441	0.9
96.70034	0.6
101.02460	0.9
103.00377	3.6
107.92107	0.9
112.98839	6.9
114.65328	0.6
115.00405	1.0
119.05050	62.8
120.05376	2.6
130.99876	1.1
143.82378	0.6
148.65558	0.6
149.00955	22.1
163.04037	100.0
164.04370	5.8
295.10397	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	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.8
61.48567	0.4
62.38766	0.4
63.24316	0.4
64.26415	0.3
69.03452	0.7
71.01380	2.1
71.27090	1.1
82.05932	0.4
95.05033	0.6
97.06605	4.1
98.80472	0.4
98.90717	0.5
98.95602	1.5
145.19090	0.3
153.12898	0.8
155.14470	0.8
185.75487	0.4
197.15495	100.0
198.15820	7.8
251.20175	20.3
252.20511	1.9
266.26086	0.4
295.17834	1.6
295.22717	5.4
296.23245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69488	0.8
58.12951	0.8
59.01379	9.7
60.99313	12.5
69.64581	2.1
69.64993	4.5
71.01395	4.6
74.25423	0.7
75.42704	0.7
85.02960	1.3
88.98821	100.0
89.02454	3.3
89.99173	1.1
97.24660	0.7
97.42594	0.8
101.02428	2.3
103.00428	1.1
115.00372	5.5
126.87576	0.8
133.05078	1.5
161.04526	0.8
163.04010	1.1
295.10425	5.2
309.84192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0461
Annotation	cis-coutaric acid
Peak:m/z	Relative Intensity
54.20996	0.5
59.01386	13.7
67.06729	0.4
67.66574	0.5
71.01402	0.8
71.40284	1.0
72.99318	2.0
75.27555	0.4
83.05029	0.5
84.99339	0.5
87.00899	8.4
93.03474	0.9
103.00380	3.0
112.98838	6.4
114.13924	0.4
119.05048	57.9
120.05393	1.9
130.99837	0.6
133.01430	0.5
135.04565	0.9
149.00943	20.1
152.62447	0.5
163.04033	100.0
164.04318	4.3
164.66299	0.5
169.06425	0.5
184.17616	0.5
281.87180	0.5
295.04752	1.0
295.08685	0.5
295.12085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62170	0.9
54.50351	0.9
59.01383	15.3
60.99310	14.5
66.86471	0.8
71.01392	5.0
71.05677	0.8
71.11674	2.1
72.99275	0.9
73.02964	1.2
78.91389	0.8
83.01368	1.0
85.02969	1.4
87.00897	3.1
88.98819	100.0
89.02466	4.1
89.99149	1.4
96.50326	0.8
100.35841	0.8
101.02460	4.1
102.45094	0.8
112.98837	1.1
113.02439	1.7
115.00385	1.2
115.04015	2.1
119.03522	2.2
119.05054	11.7
133.05092	2.8
149.00926	7.2
161.04559	1.4
163.04048	18.0
164.04341	1.3
235.08153	1.3
251.07529	1.3
293.15225	1.0
295.10330	11.1
295.65121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95337	0.8
59.01382	11.8
61.98835	100.0
69.61408	7.3
71.01384	1.4
95.95252	7.1
98.20696	1.6
119.05015	2.0
133.01396	1.0
147.32242	0.8
163.04033	3.1
234.50670	1.2
235.08130	1.2
236.03445	1.3
264.03018	6.4
279.05295	4.8
294.04181	2.1
294.07550	2.8
294.21558	1.1
295.02444	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	294.2076
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
51.31257	0.5
56.46070	0.6
57.03455	1.9
59.01381	3.1
61.98846	1.2
66.03500	1.3
67.01878	0.7
68.01429	1.0
68.05055	4.2
69.03464	1.1
70.27170	3.0
71.01404	0.8
71.05044	1.3
78.95906	0.8
81.53719	0.6
83.05051	0.8
84.04576	2.1
92.05071	0.7
94.02995	6.3
94.24350	0.6
96.04597	1.1
97.72581	0.5
103.89851	0.6
104.12842	0.7
105.05828	0.6
110.06146	2.6
122.06129	3.7
124.07636	0.6
133.88135	0.6
138.09319	0.8
151.11310	0.9
153.12866	6.0
155.14488	1.8
160.91516	0.5
169.16029	6.7
179.14445	1.7
181.16000	7.1
194.15536	1.0
195.17567	21.1
196.17967	1.6
204.17567	4.2
206.15576	0.8
220.17021	0.7
222.18654	98.0
223.18941	7.8
232.20795	1.4
248.20215	0.8
250.21768	100.0
251.16530	0.8
251.22163	8.4
294.20758	97.9
295.21066	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	294.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.7
61.98835	100.0
65.96882	0.7
71.01395	1.8
71.71515	0.9
74.62400	0.8
88.45275	0.6
89.02447	0.7
117.30294	0.7
126.80050	0.6
133.01509	1.1
163.04012	1.1
195.81961	0.7
250.05171	1.6
256.62094	0.7
264.03128	1.3
279.05499	2.1
279.09134	4.0
281.67975	0.7
294.04208	2.9
294.07684	1.5
294.11227	1.8
294.14264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83014	0.6
55.01880	1.5
55.25075	0.8
57.03442	2.6
58.09628	0.8
59.01368	2.2
61.98832	1.7
65.03970	1.7
66.94523	0.7
70.80984	1.8
71.01392	1.0
71.05040	3.5
73.02956	2.5
81.03469	22.7
82.03796	0.8
83.05040	76.6
84.05350	1.2
92.79897	0.6
93.03391	0.8
94.27511	0.7
96.96017	3.3
99.04537	2.0
102.90898	0.7
108.02193	0.9
109.02988	4.0
109.06573	1.2
110.03774	3.9
111.08180	3.7
121.06602	7.7
123.04527	3.3
134.00449	0.7
137.06108	1.8
138.06868	1.8
139.07681	28.9
140.07990	1.3
153.12877	2.7
155.14450	2.7
169.15982	1.8
171.13930	2.1
181.15797	0.8
183.17587	0.8
193.15877	1.4
197.15486	2.2
209.19145	3.2
219.17584	4.6
220.14665	2.4
221.15491	7.4
235.17047	1.9
236.10513	4.1
236.17810	1.0
236.83524	0.8
237.18582	10.4
249.18570	1.6
264.17386	1.3
273.73553	0.7
275.20102	4.8
293.14096	2.9
293.18051	4.7
293.21228	100.0
294.21603	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	293.2124
Annotation	8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate
Peak:m/z	Relative Intensity
57.03442	0.5
59.01384	0.6
61.98822	0.9
67.01894	5.4
69.03462	15.2
71.01397	0.5
71.05024	8.2
79.95733	1.9
83.05057	0.6
85.06621	1.0
87.04538	0.6
93.03473	0.4
95.01398	2.1
95.60696	0.3
95.95285	0.5
96.96024	74.0
97.56374	0.4
108.02183	0.6
109.02939	2.2
111.08179	5.3
113.06132	1.2
119.05038	0.6
121.06622	1.2
122.03746	0.3
122.41653	0.3
137.02477	0.5
139.07674	6.6
140.08069	0.3
147.04532	0.8
153.12888	3.3
155.14430	1.0
161.02505	0.4
171.13959	2.7
177.16492	1.3
195.13878	0.8
195.17554	18.1
196.17896	1.6
197.19118	2.1
220.14659	0.5
221.15489	7.1
222.15808	1.1
223.17033	10.4
224.17361	0.9
236.10551	1.1
265.21848	0.6
275.20142	2.5
293.17920	58.3
293.21225	100.0
294.18207	6.1
294.21576	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	293.2124
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.64230	0.5
52.96637	0.6
55.01866	0.9
57.03448	1.5
59.01383	4.2
61.98855	0.6
66.86404	0.6
67.01883	1.3
69.03458	4.5
71.01380	1.7
71.05022	0.9
71.09437	1.3
74.14709	0.5
75.93645	0.5
82.15011	0.6
83.01393	2.1
83.83163	0.5
89.41740	0.7
93.03481	0.5
95.01374	0.5
96.02864	0.5
96.96043	0.6
108.02187	1.1
111.00880	3.2
111.33913	0.5
121.02991	0.8
121.10259	38.9
122.10593	1.6
124.01672	1.3
125.09737	0.9
127.11355	0.9
139.00342	0.7
141.12848	0.8
152.01115	1.5
171.10294	67.1
172.10631	3.7
177.16570	0.8
179.14424	1.5
181.16008	6.8
183.10307	4.5
183.13931	6.4
185.11830	3.7
193.15903	2.7
205.12244	0.7
209.15474	2.4
209.19069	1.2
211.13383	1.6
220.14694	1.9
221.15498	6.1
221.19104	0.6
222.15831	0.8
231.21170	5.4
235.13353	2.8
235.16988	3.1
236.10504	2.7
237.15004	3.3
249.15108	1.2
265.14444	5.5
265.18048	0.9
266.14761	0.6
275.20163	100.0
276.20547	11.4
286.86404	0.6
293.14078	39.7
293.17661	8.4
293.21176	78.1
294.14474	4.4
294.17838	1.3
294.21515	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	293.2124
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
54.50761	0.7
59.01376	2.0
67.01878	1.1
69.03459	3.8
70.85346	1.9
70.85748	1.9
71.01386	1.1
76.23521	0.8
83.01396	1.9
84.12067	0.8
95.05018	1.0
111.00885	3.4
152.01122	1.1
167.10751	0.9
171.10310	1.0
179.14363	3.1
181.15984	5.4
193.15994	1.2
195.13904	10.8
196.14502	1.1
205.12308	1.6
205.16005	1.2
209.15466	1.7
209.19127	2.4
220.14740	1.3
221.15460	5.1
223.13396	10.9
224.13899	1.2
228.13713	1.0
235.13333	2.8
236.10516	1.7
237.14932	3.9
256.13101	3.6
265.14468	6.8
265.17007	1.2
265.21600	1.1
266.14420	1.1
275.20178	8.2
293.14120	33.6
293.17697	7.9
293.21204	100.0
294.14310	4.1
294.18231	1.6
294.21518	9.5
312.55341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1757
Annotation	Embelin
Peak:m/z	Relative Intensity
53.05085	0.3
55.01875	0.8
57.03434	0.6
59.01372	1.3
59.50699	0.2
61.98826	0.5
67.01904	0.7
69.03458	3.6
71.01398	0.4
71.05027	5.8
78.40710	0.2
80.02675	0.7
81.03465	0.7
83.01407	0.7
83.05032	0.9
84.02164	0.4
92.57649	0.2
93.03481	0.3
94.39892	0.3
95.01422	0.3
95.05047	0.3
96.96001	0.5
97.02964	0.9
97.06599	0.6
98.19839	0.7
106.56295	0.3
109.06607	0.4
111.00914	0.4
111.04517	0.3
112.98528	0.3
113.09737	1.8
124.01686	5.2
125.02020	0.3
139.11246	0.3
152.01184	2.2
156.94322	0.3
167.10768	0.5
179.14374	0.5
181.15985	1.6
183.13892	3.2
193.16006	0.4
195.13960	1.6
199.62918	0.3
203.18173	0.6
205.01320	0.3
205.12474	0.3
207.17528	1.4
209.19113	37.4
210.19469	3.6
211.13367	1.0
219.17487	0.3
220.14651	0.9
221.15497	1.4
221.19110	17.5
222.19472	2.2
223.13400	1.3
236.10582	1.0
237.18585	8.5
238.18988	0.9
249.18591	3.3
265.18085	15.9
265.21133	0.3
266.18411	1.4
275.20230	1.7
293.17599	100.0
293.21164	22.8
294.17923	10.6
294.21469	2.2
303.48615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Embelin
Peak:m/z	Relative Intensity
50.70877	0.2
55.01882	0.9
56.54273	0.2
57.03444	0.2
59.01378	0.4
61.98823	0.5
67.01913	0.5
69.03458	3.3
70.69723	0.5
71.05025	5.5
80.02686	0.8
81.03484	0.7
83.01403	0.2
83.05038	1.3
84.02178	0.5
86.16181	0.2
95.01392	0.2
95.05061	0.4
96.96031	0.4
97.02967	0.9
97.06597	0.6
102.87521	0.2
110.03723	0.3
124.01680	5.7
139.07684	0.5
152.01170	2.3
158.88841	0.2
179.14539	0.5
181.16022	1.5
193.15988	0.2
195.17583	0.2
203.18059	1.0
207.17555	1.7
209.19112	38.3
210.19479	3.4
219.17409	0.4
220.14656	0.4
221.15491	0.9
221.19106	17.6
222.19452	1.8
224.37213	0.2
236.10570	0.7
237.18605	8.0
238.18959	0.6
249.18573	3.5
250.18964	0.3
253.77246	0.2
265.18073	15.4
266.18469	1.5
293.17575	100.0
294.17920	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	293.1395
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
53.00281	0.1
55.01883	1.2
57.03444	0.3
59.01375	0.3
61.98820	0.2
65.00321	0.2
66.01105	0.2
67.01891	3.4
68.99831	0.5
69.03460	8.2
70.03800	0.2
70.39275	0.4
71.01388	0.5
71.05044	0.2
72.99314	0.3
75.11889	0.1
80.02687	0.6
81.03473	0.2
82.00625	0.2
83.00905	0.2
83.01397	4.8
83.05039	0.3
84.01720	0.2
84.02181	0.2
91.01913	0.4
93.03453	0.8
95.01398	1.3
95.05023	0.5
97.02968	0.4
106.04274	0.6
108.02194	2.5
109.03005	0.3
110.00111	0.3
110.03799	0.3
111.00903	9.0
112.01247	0.2
112.09813	0.1
121.02971	0.7
122.03756	0.9
123.00905	0.7
123.04519	0.2
124.01681	3.7
136.01685	0.6
137.02480	0.5
138.03192	0.2
139.00400	1.7
140.00787	0.1
142.02708	0.2
150.03232	0.5
151.11301	0.1
152.01184	3.1
153.01526	0.2
153.12859	1.8
154.02786	0.2
155.14438	0.4
163.14960	0.1
165.01883	0.2
171.13934	0.1
175.14955	1.2
177.12895	0.3
177.16431	0.2
179.14429	3.8
180.00699	0.6
181.16002	18.9
182.16367	1.1
191.14413	0.7
193.14233	0.3
193.15985	4.4
194.16362	0.3
195.13919	0.3
203.14410	0.3
205.15994	1.1
206.16278	0.2
207.13907	0.4
209.15479	5.1
210.15804	0.4
219.13889	0.4
220.14549	0.2
221.15482	7.8
222.15878	0.6
231.13939	0.2
235.13403	6.3
236.10600	0.2
236.13980	1.0
237.14978	11.0
238.15361	0.8
247.13435	0.5
249.14961	4.5
250.15302	0.5
264.13760	0.3
265.14450	19.1
265.58981	0.1
266.14731	1.6
293.13959	100.0
294.14294	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	293.1396
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
55.01883	1.4
55.43278	0.2
57.03431	0.3
65.00306	0.2
66.01122	0.2
67.01902	3.0
68.99811	0.5
69.03458	7.3
71.01370	0.5
71.05017	0.2
71.18591	0.4
71.18952	0.2
80.02674	0.5
81.03454	0.3
82.00626	0.3
83.01398	4.7
91.01921	0.2
93.03471	0.9
95.01393	1.0
95.05055	0.4
97.02974	0.6
106.04261	0.7
108.02188	2.3
110.00089	0.4
110.03700	0.2
111.00900	9.0
113.86588	0.2
121.02972	0.4
122.03761	0.7
123.00903	0.5
124.01694	3.4
136.01677	0.5
137.02444	0.4
138.03189	0.3
139.00412	1.7
150.03232	0.3
152.01183	2.7
153.12878	1.5
155.14381	0.3
163.14902	0.2
164.04871	0.2
175.14934	0.9
177.12933	0.2
179.14449	3.3
180.00668	0.6
181.16003	18.7
182.16348	1.2
190.88380	0.2
191.14470	0.8
193.15991	4.3
194.16306	0.4
195.13873	0.3
203.14304	0.3
205.15974	0.9
207.13817	0.2
209.15475	4.2
210.15884	0.4
219.13759	0.3
221.15492	8.0
222.15784	0.7
231.13985	0.2
231.77562	0.2
235.11136	0.4
235.13408	6.1
236.13930	0.9
237.14981	11.5
238.15295	0.8
247.13411	0.4
249.14960	4.6
250.15323	0.4
265.14441	17.6
266.14807	1.7
266.93344	0.2
293.13950	100.0
293.97949	0.2
294.14288	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	293.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03458	0.2
59.23936	0.2
65.00324	0.2
65.03946	0.2
66.33188	0.1
67.01897	3.7
68.99826	0.5
69.03462	7.4
71.01386	0.5
71.05013	0.2
71.52795	0.3
72.99299	0.2
77.24572	0.2
79.74747	0.2
80.02692	0.5
82.00622	0.4
83.01394	4.8
84.02174	0.2
91.01924	0.4
93.03458	0.7
94.04208	0.2
95.01405	1.3
95.05039	0.3
97.02953	0.5
106.04265	0.5
108.02193	2.2
109.02993	0.2
110.00117	0.4
110.03783	0.2
111.00906	9.1
112.01256	0.2
121.02969	0.5
122.03790	0.9
123.00895	0.5
124.01682	3.3
130.12730	0.2
136.01672	0.7
136.05244	0.3
137.02457	0.5
138.03249	0.2
139.00374	1.8
149.02388	0.2
150.03250	0.6
151.11241	0.2
152.01190	3.0
153.12910	1.2
155.14496	0.4
160.96603	0.2
175.14984	1.2
177.12773	0.3
179.14426	3.7
180.00677	0.5
181.16000	17.3
182.16312	1.1
185.13568	0.2
191.14465	0.7
193.15988	4.3
194.16348	0.2
203.14427	0.3
205.15968	1.2
206.12965	0.2
207.13974	0.3
209.15495	5.0
210.15871	0.3
219.13887	0.3
220.14560	0.3
221.15474	7.6
222.15781	0.6
225.14793	0.2
235.13409	5.9
236.10611	0.4
236.13933	0.9
237.14966	10.6
238.15265	0.9
247.13371	0.3
249.14958	4.4
250.15309	0.4
265.14441	17.3
266.14716	1.6
293.13950	100.0
294.14297	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65164	0.4
55.01900	0.8
57.03457	0.6
58.00594	1.4
59.01380	38.3
60.01707	0.6
71.01389	17.3
71.52982	0.5
71.53343	0.7
72.99307	1.4
73.02950	1.5
75.00877	0.4
83.01388	2.2
85.02962	4.2
85.06602	14.7
87.00887	0.9
89.02455	19.1
95.01402	1.5
101.02456	13.5
113.02460	7.1
113.06118	3.3
115.07668	1.9
119.03529	6.6
127.07658	1.7
129.05586	0.5
129.09290	0.5
131.07161	59.4
132.07501	1.6
143.03539	0.6
149.04518	0.5
161.04561	1.0
173.08199	1.0
179.05591	1.4
293.12418	100.0
294.12772	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1395
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
55.01878	1.3
57.03425	0.2
57.63131	0.2
59.01374	0.7
65.00314	0.3
65.03946	0.2
66.01119	0.3
67.01890	4.4
68.99818	0.7
69.03458	7.8
70.03811	0.1
71.01385	0.9
71.05013	0.3
71.71226	0.2
72.99302	0.2
80.02669	0.7
81.03465	0.2
82.00645	0.2
83.01395	4.8
83.05023	0.3
91.01913	0.5
93.03439	0.8
95.01395	1.8
95.05042	0.5
96.55148	0.2
96.96027	0.2
97.02954	0.6
99.00909	0.2
99.16221	0.2
106.04256	0.6
106.18842	0.1
108.02190	2.7
108.05715	0.2
109.02957	0.6
110.00102	0.5
110.03786	0.3
110.49586	0.2
111.00895	9.7
111.04528	0.2
112.01199	0.2
121.02974	0.7
122.03770	0.8
123.00900	0.6
124.01688	3.2
136.01674	0.7
136.05284	0.3
137.02490	0.3
138.03296	0.3
139.00388	1.9
140.03607	0.3
147.99257	0.2
149.02519	0.2
150.03241	0.5
152.01173	2.9
153.12889	1.6
155.14331	0.2
165.12892	0.2
166.02718	0.3
166.13335	0.2
168.03316	0.2
171.13832	0.3
175.14969	1.0
177.12885	0.4
177.16541	0.2
179.14430	3.7
180.00674	0.6
181.15997	17.7
182.16307	1.4
191.14432	0.9
193.15994	5.4
194.16347	0.5
195.13881	0.6
203.14363	0.3
205.15936	1.1
207.13850	0.6
209.15492	4.7
210.15761	0.2
219.13925	0.6
220.14700	0.6
221.15468	10.5
222.15880	0.9
222.18678	0.6
225.15005	0.2
231.13884	0.2
235.13394	6.1
236.10510	0.9
236.13887	0.6
237.14955	10.4
238.15352	0.8
245.21964	0.2
247.13417	0.6
249.14966	6.0
250.15396	0.4
250.21616	0.8
253.14441	0.2
264.13596	0.2
264.16028	0.5
265.14438	19.6
266.14752	1.2
293.13950	100.0
294.14258	8.1
294.17188	1.7
294.20859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06047	1.1
57.03452	2.0
58.00592	4.4
59.01381	100.0
60.78796	1.1
70.01587	6.8
71.01387	59.2
72.76206	1.2
72.99319	4.4
73.02936	2.3
77.01177	1.0
83.01398	2.4
85.02960	12.5
85.06590	3.3
85.63471	1.1
87.00883	3.1
89.02454	94.9
95.01392	4.0
98.19962	2.2
98.94180	1.2
99.00891	1.2
101.02457	36.0
102.02721	1.1
113.02472	24.3
113.06104	39.0
114.06420	1.9
119.03523	35.0
125.02497	1.4
129.33228	0.9
131.03510	4.1
131.07178	12.8
143.03516	4.3
147.37524	0.9
149.04564	2.8
161.04555	4.7
172.84941	1.0
175.42415	1.2
179.05643	9.6
293.07349	1.7
293.12399	30.3
294.12775	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	293.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01091	1.1
59.01387	15.8
67.01897	4.2
67.95593	0.9
68.99576	1.6
69.03476	2.0
70.18798	2.7
71.01393	9.7
73.02954	2.8
81.03463	1.3
83.05071	1.4
85.02952	8.2
87.00887	12.0
87.01363	1.1
89.02484	3.7
93.03475	29.7
94.03797	0.9
95.01418	0.8
97.73656	0.7
99.00907	1.5
101.02463	5.0
103.13902	0.7
108.59865	0.8
109.03015	1.3
111.00886	1.2
111.04573	5.4
112.98629	1.0
113.02473	7.6
119.03562	2.4
127.04011	2.1
131.03546	2.5
137.02467	3.0
149.49998	0.8
155.03584	3.7
161.04613	1.1
163.04398	0.8
173.04581	69.6
174.04922	2.8
191.05635	100.0
192.05925	3.8
213.97557	0.7
215.17058	0.7
227.87407	0.9
233.06648	6.2
243.41275	0.8
258.65921	0.9
261.06079	2.9
262.35950	0.9
273.44763	0.8
293.08804	13.2
293.11993	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	292.192
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.95255	0.4
55.01884	1.1
58.02977	0.8
59.01384	4.1
61.98836	0.6
67.01900	3.2
68.99812	0.6
69.03461	6.9
71.01394	1.3
71.04996	0.4
71.70623	0.6
81.03456	0.5
82.00658	0.4
83.01392	4.1
83.05021	0.5
87.43154	0.4
93.03480	1.2
95.01427	1.0
95.05095	0.4
108.02194	2.5
110.00089	0.6
111.00903	8.6
121.02985	0.7
122.03768	0.7
123.00980	0.5
124.01688	3.4
136.01674	0.5
136.05316	0.5
138.05638	0.5
139.00400	1.5
152.01190	3.2
153.12886	2.0
156.13971	96.4
157.14333	4.9
175.14929	1.2
179.14430	4.2
181.16016	17.2
191.14473	0.5
192.11549	0.6
193.16000	4.1
195.13939	0.7
200.12939	5.1
205.16002	1.0
207.13969	0.7
209.15488	4.4
220.14714	2.8
221.15500	13.4
233.10310	1.2
235.13385	6.0
236.10529	4.6
236.14114	0.7
237.14955	10.9
249.04413	0.5
249.14951	5.5
261.12158	0.5
265.11578	0.9
265.14447	18.1
277.03598	0.5
292.16412	0.7
292.19226	2.9
293.13956	100.0
304.81415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
58.02977	0.7
59.01383	4.2
61.98834	0.6
65.00329	0.4
67.01896	3.5
68.99815	0.4
69.03459	8.0
71.01397	0.9
71.01985	0.8
71.05029	0.5
80.02692	0.6
83.01393	4.6
91.01929	0.5
93.03466	0.7
95.01411	1.5
106.04256	0.5
108.01546	0.3
108.02160	2.4
109.02963	0.5
111.00895	8.3
111.64331	0.4
121.02908	0.5
122.03721	0.5
124.01676	4.0
136.01639	0.5
137.02443	0.4
138.83997	0.4
139.00369	1.5
149.00937	0.5
152.01178	2.9
153.12877	1.3
156.13963	92.6
157.14299	4.6
161.02414	0.4
164.04651	0.4
175.14900	0.8
175.99028	0.4
179.14447	3.9
181.16006	18.5
191.14445	0.7
193.16020	4.2
195.13850	0.5
200.12947	5.1
205.15938	0.8
209.15500	4.5
220.14671	2.1
221.15477	13.6
225.46930	0.4
233.10356	1.6
235.13399	6.5
236.10606	3.2
237.14981	9.2
239.73978	0.4
248.20137	0.5
249.04291	0.7
249.14941	4.9
265.14456	19.8
277.03848	0.8
292.16370	0.8
292.19287	2.5
293.13962	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	292.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01904	1.3
58.02966	1.2
59.01363	1.1
67.01881	3.1
70.03003	1.4
71.01363	1.8
71.09118	1.2
71.09453	2.2
72.00922	5.7
72.04549	4.4
82.02993	76.9
83.01397	13.0
83.03341	2.2
84.04550	8.8
85.02956	2.5
91.05556	2.2
93.03476	1.0
94.02975	5.4
98.02493	25.3
99.00884	2.2
100.04064	10.7
110.02492	2.9
111.03271	19.7
118.06656	6.4
119.05064	3.8
120.05352	2.5
126.01982	4.1
127.00407	9.7
131.05031	2.0
133.03001	0.9
135.04526	3.8
136.04892	2.3
143.08626	1.1
144.04601	1.3
144.08203	2.3
146.03342	1.6
146.06140	1.3
147.04543	38.2
151.19810	1.0
158.03896	1.0
159.08153	2.2
161.02510	1.2
163.04100	1.3
164.04387	3.9
164.07187	46.1
165.07489	1.9
179.03548	1.4
184.07707	23.2
186.09291	11.6
190.05054	1.0
191.05608	2.2
202.08762	19.5
221.15611	0.9
230.08208	19.5
246.07707	100.0
247.08096	6.0
248.09248	3.0
248.12910	1.8
274.07196	45.2
275.07541	3.7
275.99936	1.0
292.08337	19.5
293.04266	1.6
293.08316	1.3
293.13922	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	291.1967
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.86208	0.5
57.03446	1.8
59.01377	1.6
61.98821	2.6
69.03413	0.5
70.04407	2.4
70.04825	1.1
93.07117	1.6
94.02990	0.8
95.19614	0.5
97.06596	1.7
110.06182	0.7
114.04727	0.6
115.92078	0.6
119.05029	1.0
121.02993	0.6
121.10252	12.7
123.08201	0.9
125.09761	5.6
141.12900	1.1
147.08151	0.8
163.03938	0.7
171.10271	0.6
173.55913	0.6
185.11864	13.6
186.12152	1.1
193.15892	0.7
197.11873	3.1
209.11798	1.3
211.13438	1.8
223.13455	1.0
229.88402	0.6
247.16989	0.7
247.20679	1.1
273.18613	1.1
275.64825	0.6
291.19659	100.0
292.19958	11.1
292.22900	2.3
300.06616	0.6
313.80438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.70915	0.3
59.01385	0.7
64.67001	0.3
69.59723	3.1
78.80492	0.3
93.03427	0.3
95.05031	0.4
97.06587	0.6
109.02957	1.0
115.15992	0.3
119.05067	0.3
148.08966	1.2
149.09622	0.5
150.10519	0.6
151.11357	0.6
163.11287	1.5
165.12860	21.0
166.13153	1.5
175.11273	0.6
176.12012	0.6
177.12950	0.4
191.14465	0.5
195.13872	1.1
245.19075	0.6
247.20688	10.8
248.21008	1.0
263.16467	0.8
273.18604	6.1
274.18979	0.5
291.19644	100.0
292.16718	0.5
292.19986	11.0
301.01239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
65.44925	0.3
71.01387	0.3
71.70573	0.5
72.99435	0.3
81.38003	0.3
85.02959	1.4
93.03471	0.6
101.02483	0.4
109.02973	0.4
111.71578	0.3
117.03520	1.9
117.86599	0.3
119.05048	100.0
120.05389	3.6
137.02444	0.6
145.02991	5.7
146.03331	0.5
163.04034	92.6
164.04379	4.3
173.04541	0.4
187.04095	0.4
234.69087	0.3
273.07596	0.8
291.08743	13.2
291.18005	0.3
292.09097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61001	2.6
59.01138	3.3
59.01384	41.9
71.41647	5.4
111.08138	3.3
127.11288	5.6
145.50946	2.4
157.12321	15.4
180.02559	2.5
185.11836	14.6
203.12889	100.0
204.13182	6.3
245.14027	14.1
269.75555	2.4
289.07245	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	291.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54494	0.5
57.03442	0.6
59.01384	2.6
63.71330	0.6
71.01413	0.9
71.69586	0.7
72.00937	0.5
73.02944	0.6
73.94958	0.6
82.02997	2.0
83.01396	0.7
85.02961	8.2
87.00871	1.2
88.78437	0.5
93.03488	0.9
97.91402	0.5
98.02485	0.6
108.02267	0.5
109.02952	1.5
111.04552	0.6
117.03486	13.6
119.05046	100.0
120.05392	4.2
121.02980	1.2
123.04517	0.8
125.50810	0.5
127.03021	0.6
127.04018	1.0
133.02988	1.3
134.03783	1.1
135.04541	5.5
137.02490	1.0
145.02974	64.7
146.03349	2.8
147.04602	0.9
159.04562	0.8
161.02452	2.7
161.06229	0.7
163.04031	89.3
164.04407	4.5
164.07156	1.3
173.04655	0.6
173.06158	0.7
178.02719	0.8
179.03380	0.6
185.06125	0.8
186.09215	0.6
187.04024	2.2
191.05562	0.7
201.05519	0.6
203.03531	0.6
211.07660	1.2
230.08138	0.6
246.07756	2.6
247.09685	1.2
273.07858	1.9
274.07260	1.2
291.08746	37.2
292.09164	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	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.34530	0.6
51.39252	0.5
55.76664	0.6
57.03448	4.1
69.03467	1.5
69.71156	5.0
71.01367	0.7
80.02719	0.7
81.03470	4.4
83.01390	4.9
85.70543	0.6
93.03476	2.7
95.01384	1.0
95.05038	5.1
97.02965	10.4
98.20615	0.8
99.04549	1.0
108.02203	1.5
109.02971	38.8
110.03294	1.2
117.03407	0.7
121.02992	4.9
122.03738	2.5
123.00892	0.7
123.04546	26.8
124.04841	1.1
124.68367	0.6
125.02468	24.4
126.02850	1.0
133.02931	0.8
135.04536	3.5
137.02469	14.8
138.03252	1.8
139.04022	4.4
145.02986	2.1
146.03758	2.0
147.04515	0.7
149.02440	6.2
150.03227	1.7
151.04021	12.5
152.04407	0.7
157.06538	1.0
159.04527	3.4
160.05304	2.5
161.02457	1.8
161.06097	5.8
162.03223	1.8
163.04091	1.8
164.01144	3.9
165.02008	5.6
166.02679	1.2
166.70001	0.6
167.03540	3.5
173.06058	1.8
175.04085	2.9
175.07651	2.4
177.05611	1.1
179.03514	9.8
185.06111	1.3
187.04037	5.9
188.04761	5.1
201.05560	1.4
201.09225	0.8
202.06287	3.0
203.07155	16.7
204.07506	0.9
205.05077	9.8
212.04716	0.8
217.04997	0.7
217.08627	1.3
221.08221	5.4
222.08571	0.7
227.07076	3.0
231.03021	1.2
245.08191	29.8
246.08609	3.1
247.06262	1.1
248.11185	0.6
271.06186	1.5
289.07187	100.0
290.07480	7.6
304.82428	0.7
307.49454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03449	4.9
64.33699	0.5
65.03952	0.6
69.03455	1.5
70.69027	0.4
80.02686	0.9
81.03463	4.2
83.01409	5.6
88.73882	0.5
93.03465	2.5
95.01401	1.2
95.05042	6.8
97.02969	11.1
102.01759	0.4
107.05041	0.8
108.02184	2.2
109.02970	42.7
110.03304	1.2
121.02968	5.1
122.03758	2.2
123.00877	0.6
123.04551	29.6
124.04903	1.3
125.02470	28.4
126.02753	1.0
133.03040	0.6
135.04530	2.4
137.02478	14.2
138.03201	1.9
139.04033	7.3
145.02972	1.9
146.03801	2.3
147.04530	1.1
149.02461	6.5
149.06094	0.6
150.03233	1.4
151.04037	15.4
152.04330	0.9
157.06560	0.9
159.04541	4.1
160.05298	2.1
161.02428	2.1
161.06111	7.3
162.03215	2.2
163.04021	1.5
164.01190	4.7
165.01956	4.9
167.03555	2.7
173.06175	0.9
174.03299	0.8
174.06876	0.6
175.04034	3.0
175.07651	3.3
177.04117	0.6
177.05627	1.3
179.03523	9.0
185.06056	1.0
187.04048	6.0
188.04813	5.1
189.05264	0.7
199.07654	1.0
199.32983	0.5
201.05571	1.1
202.06322	2.9
203.07150	17.3
204.07434	1.3
205.03246	1.0
205.05074	11.9
212.04950	0.8
217.08646	0.8
221.08229	5.0
227.07161	2.5
230.05890	1.4
245.08189	27.9
246.08556	2.8
247.06079	1.3
271.06213	0.9
289.07190	100.0
290.07526	9.6
298.22021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0334
Annotation	alpha-D-Sedoheptulopyranose 7-phosphate
Peak:m/z	Relative Intensity
59.01392	2.8
71.01405	0.9
71.03902	1.5
73.02949	0.5
78.95911	49.0
85.02956	4.5
87.00882	1.0
93.03477	1.6
96.96975	100.0
101.02476	0.6
103.92047	1.1
109.02996	0.7
127.03999	0.7
138.98074	4.7
152.89168	1.3
168.99071	1.0
173.04480	0.7
191.05638	47.4
192.05969	1.7
199.00180	9.8
216.33406	0.5
223.39435	0.5
229.01295	0.6
289.03275	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	288.9967
Annotation	3-O-phosphonohexaric acid
Peak:m/z	Relative Intensity
50.95482	0.5
53.43112	0.5
66.57279	0.5
69.89076	2.1
69.89497	1.4
71.01391	4.6
72.43763	0.5
78.95911	36.6
81.55232	0.5
85.02999	0.8
87.00878	0.7
95.39600	0.6
96.96072	10.3
96.96976	100.0
99.00875	1.0
103.92027	1.6
104.92838	0.7
111.00898	0.8
112.98831	1.3
115.00391	1.2
124.98840	1.7
131.51964	0.5
142.99889	22.3
143.01036	1.1
173.00931	20.9
174.01309	1.0
181.35725	0.5
189.69919	0.5
191.05627	9.6
199.00085	0.9
270.98718	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	288.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60784	0.7
58.66705	0.7
59.01388	3.6
61.98836	100.0
65.50316	0.6
71.27052	0.9
71.27368	1.0
74.18448	0.6
99.92630	1.0
102.24858	0.7
110.22700	0.7
117.85297	0.8
137.78329	0.8
144.55028	0.9
246.82625	0.7
294.30005	0.7
305.25262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
50.97692	0.2
51.66927	0.2
59.01381	1.7
59.43608	0.3
61.98826	0.3
66.90414	0.2
67.01889	0.4
69.79662	1.8
71.01390	0.9
81.03454	1.1
85.02960	0.3
92.05069	1.2
93.03471	3.0
94.03862	0.2
99.92606	0.4
107.03770	0.5
108.02206	0.4
108.04574	5.6
109.02966	5.1
111.04524	0.4
121.02935	0.4
124.01661	0.5
130.64183	0.2
134.02504	35.8
135.03313	9.2
136.04066	39.2
137.02495	1.3
137.04425	1.1
147.04471	0.4
148.04060	0.7
149.04846	1.3
149.05980	0.5
159.04527	0.6
171.13922	1.7
172.14217	0.4
173.04666	1.2
176.02136	0.5
176.03554	4.7
177.04230	0.6
177.05672	0.3
181.03737	0.3
182.65178	0.2
186.94136	0.3
187.07715	0.4
190.05092	0.6
197.04530	0.6
204.06563	0.4
274.13153	0.7
274.63452	0.3
288.16052	100.0
289.16342	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	288.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73743	0.8
59.01383	7.3
61.98835	100.0
70.40905	3.0
79.83679	0.9
93.93963	1.0
99.92603	1.2
103.80656	0.8
109.65623	0.8
120.55251	1.1
125.79501	0.8
133.02986	1.7
134.03304	1.0
144.81754	1.0
161.90804	0.9
288.06656	1.1
288.16891	2.7
289.07150	1.3
289.14322	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44046	0.4
57.03424	0.5
59.01385	0.8
61.39838	0.4
61.98832	0.5
71.71118	0.6
80.02688	0.9
80.76886	0.4
83.01395	0.5
83.02910	0.4
92.99078	0.5
93.03471	1.3
94.03794	0.4
107.01434	1.0
108.02196	9.1
108.04610	0.4
109.03035	2.1
111.00901	1.3
116.05187	0.4
118.03030	0.4
120.04568	4.0
121.02970	2.3
122.02467	0.5
122.03783	2.0
123.00896	3.1
123.04543	5.4
124.01684	2.7
125.02442	1.7
134.02483	0.4
135.00926	0.7
136.04065	2.5
137.04857	5.3
143.05080	0.5
147.03302	1.5
149.01161	0.5
150.01965	1.1
150.05569	0.5
151.00410	0.6
151.02768	0.5
152.03549	1.3
154.02736	0.5
154.58156	0.4
155.04738	0.4
159.04495	0.5
163.00397	0.6
164.03554	73.2
165.04323	16.3
166.04674	0.4
170.06825	0.4
184.04739	0.4
186.06487	0.9
188.04430	1.1
212.04362	0.7
214.05966	0.8
227.03441	0.6
228.03806	1.5
229.04793	0.5
230.05463	3.6
231.05759	0.5
240.04005	0.6
241.04840	0.5
243.02844	0.4
246.18869	0.4
253.07413	1.4
254.08044	0.8
257.03668	2.2
258.04901	1.6
258.72433	0.4
259.06149	1.9
271.08487	89.8
272.08859	7.1
286.04376	21.6
286.10843	100.0
287.04736	2.4
287.11166	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59332	1.2
55.01881	5.1
57.03455	3.3
57.24003	1.3
59.01375	8.5
59.84753	1.1
61.98819	2.1
68.99825	5.0
69.03458	18.5
71.01391	6.6
71.04473	2.5
71.05038	2.6
72.99313	50.9
75.12511	1.1
78.95935	1.3
80.02670	1.3
81.03474	2.0
83.05019	1.3
102.84344	1.1
108.02197	6.9
109.02992	2.3
113.02474	3.4
139.00388	18.8
151.11290	5.3
153.12883	7.7
155.14426	10.2
156.14761	1.5
165.12898	1.5
169.16002	1.3
171.13921	2.0
179.14432	35.4
180.14703	2.3
181.15994	40.4
182.16330	2.4
191.14488	1.9
197.15475	10.9
207.13870	9.3
208.14444	1.3
209.15459	41.8
210.15906	3.8
211.16986	1.8
223.13374	2.1
223.17004	6.8
225.14957	100.0
226.15250	6.8
235.13481	5.1
237.14996	6.6
244.92094	1.2
251.08115	1.3
251.12683	1.6
252.13654	15.3
253.14388	6.2
267.15985	36.9
268.16299	3.4
284.12695	3.5
285.04016	9.7
285.17087	15.3
285.20700	5.7
285.27109	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	285.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78672	0.6
52.78935	0.8
54.80460	0.7
57.03458	0.9
58.00599	3.1
59.01381	100.0
60.01704	1.5
61.75403	0.7
70.72408	2.3
71.01387	42.8
72.01727	0.6
72.99323	2.5
73.02967	0.9
83.01413	1.7
83.05045	2.2
85.02969	6.0
87.00904	2.7
89.02453	65.5
90.02803	1.2
95.01418	2.9
101.02460	17.7
111.04531	0.9
113.02464	19.9
114.02770	0.8
119.03522	24.1
119.04908	3.1
120.03902	0.7
120.99660	5.1
123.04538	1.5
125.02481	1.0
131.03523	2.9
143.03505	4.4
149.04616	2.6
161.04556	4.7
179.05621	15.4
180.06062	0.9
223.37177	0.6
224.69460	0.6
225.16078	6.1
232.61845	0.7
250.32632	0.7
284.26712	0.9
285.04135	1.4
285.10019	1.6
285.21103	0.7
285.27252	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	285.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03437	0.5
59.01376	2.1
70.62406	0.3
70.62756	0.3
71.01389	12.3
72.01711	0.2
72.99307	0.2
73.02954	3.2
75.00869	0.3
79.05542	6.9
80.05867	0.3
81.03465	5.4
82.03806	0.2
83.01398	1.1
84.02173	0.1
85.02966	4.7
87.00913	0.3
89.02457	0.6
89.51814	0.1
93.03486	0.2
95.01398	0.9
96.96053	0.1
97.02972	0.3
99.00897	1.6
101.02457	5.5
108.02210	0.1
109.02934	0.1
113.02467	5.2
114.02831	0.2
114.05653	0.2
119.05044	0.7
120.99693	1.3
123.04544	100.0
124.04878	4.3
125.02473	0.3
129.01950	0.3
135.04541	0.2
143.03513	0.5
147.04517	0.2
159.03033	1.2
161.04582	5.8
162.05026	0.3
165.05623	0.2
166.00911	0.2
180.92929	0.1
205.03577	0.4
284.26776	0.6
285.04047	0.4
285.10236	0.2
285.27158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	Cyanidin
Peak:m/z	Relative Intensity
52.80292	0.1
59.01365	0.1
63.02405	0.6
65.00327	2.3
67.44068	0.1
68.18212	0.1
70.71955	0.4
72.97650	0.1
81.03468	0.2
83.01407	1.6
85.88202	0.1
93.03499	0.2
95.05090	0.1
105.03489	0.6
107.01405	4.1
108.01685	0.2
108.99305	0.1
121.02985	1.1
132.02213	0.4
133.02979	24.5
134.03305	1.1
143.05035	0.4
145.03004	0.1
147.04536	0.3
149.02464	3.4
150.02792	0.1
151.00394	8.0
152.00720	0.4
169.01425	0.2
169.06624	0.4
171.04541	0.5
173.02463	0.2
173.06075	0.2
174.03282	0.1
175.04030	5.1
176.04301	0.3
177.01883	0.2
181.45908	0.1
183.04544	0.2
185.06160	0.6
187.04030	0.2
189.05580	0.3
190.46172	0.1
195.04581	0.1
197.06067	0.6
198.03250	0.8
199.04024	3.9
200.04369	0.4
201.01978	1.5
211.03975	0.3
212.04774	0.3
213.05505	0.6
215.03517	0.6
217.05061	2.5
218.05324	0.2
223.04007	0.4
226.02803	0.2
229.05077	0.3
239.03520	0.3
241.05057	1.5
242.02301	0.2
243.03012	1.1
257.04663	0.6
267.02914	0.4
268.03741	0.1
284.26859	0.6
285.04053	100.0
286.04391	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	284.1869
Annotation	Heliovicine
Peak:m/z	Relative Intensity
50.48321	0.4
56.14603	0.3
57.03448	1.5
59.01384	2.3
60.99307	3.3
61.98827	0.9
68.01424	1.6
68.05057	12.1
68.05415	0.8
69.03463	0.8
70.02998	1.0
70.16098	1.6
72.00916	7.3
82.02990	2.2
83.05064	0.9
85.02965	0.5
93.41057	0.4
94.02997	6.2
98.03770	0.8
153.12888	5.9
155.14471	2.7
169.15947	2.3
171.13953	1.1
172.96805	0.4
179.14461	4.2
180.14819	1.4
180.17661	1.2
181.16013	4.2
183.14061	0.6
192.17606	13.6
192.51161	0.5
193.17891	0.6
194.15527	2.2
195.17564	22.9
196.16982	6.8
197.15518	13.6
197.17210	0.4
198.15816	0.6
204.17624	0.6
206.15486	1.1
207.16364	0.4
208.17111	2.5
210.18654	14.9
211.17062	0.7
211.18997	1.5
212.17284	0.6
220.17110	0.6
222.18649	100.0
223.18985	8.6
224.16628	1.5
227.04945	0.7
236.16599	1.6
240.19814	0.7
241.14447	3.9
254.17619	4.7
284.18701	21.0
284.26776	25.7
285.04083	1.7
285.08875	0.5
285.19016	2.0
285.27057	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	284.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59341	0.7
59.01378	3.1
66.29970	0.9
67.01878	0.9
69.50245	3.7
69.50668	4.2
91.01902	1.4
92.01409	0.8
93.03483	5.2
95.01429	1.0
98.19910	1.9
106.03006	0.9
109.02981	9.8
119.01415	24.2
119.05038	1.7
120.04572	13.5
121.02977	39.6
122.03260	2.0
134.02510	8.5
143.05035	7.8
144.04570	2.8
145.02922	1.0
168.08228	13.2
169.06711	1.0
169.08456	0.9
170.06142	19.4
184.07689	3.7
194.06136	4.0
196.07614	2.0
197.04738	1.3
210.05731	1.4
212.07188	100.0
213.05611	2.1
213.07527	8.5
221.48415	0.8
222.05714	1.0
226.02681	1.1
240.06673	47.4
241.07010	3.9
254.41771	1.0
255.03090	1.3
283.23303	2.3
283.26456	46.1
284.03140	2.7
284.05978	1.1
284.26767	34.0
285.04028	4.9
285.27020	1.1
293.87372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93915	0.5
59.01374	3.4
61.98828	0.6
63.02411	0.6
64.01930	0.7
65.00336	1.0
66.03497	0.6
66.06516	0.5
71.70013	0.6
73.94221	0.5
77.48099	0.6
93.03479	1.0
107.01390	1.0
107.03751	0.5
109.02943	1.0
113.23094	0.6
117.03474	0.8
119.01396	1.7
119.05090	0.7
120.04545	1.1
121.02977	36.6
122.02529	1.4
122.03328	1.7
125.02504	0.7
133.02994	2.0
134.02498	6.4
135.04550	1.7
142.06647	1.2
143.05061	6.4
144.04587	1.6
145.03041	1.0
147.04501	1.2
151.00386	0.8
161.02487	0.7
168.08226	12.6
169.06627	0.9
169.08595	1.1
170.03903	0.8
170.06137	18.0
171.04570	1.0
171.06535	1.1
174.01431	1.9
174.03195	0.7
174.51457	0.7
175.04027	9.3
184.07765	2.8
185.06059	0.9
188.01155	2.5
194.06190	3.4
196.07695	3.1
197.04753	1.0
199.04025	7.4
201.01984	2.2
202.51283	2.4
203.01653	0.5
204.13388	0.6
210.05569	1.4
212.07190	100.0
213.05585	2.0
213.07549	8.9
217.05067	4.0
227.03484	0.7
236.02571	0.5
240.06657	19.7
241.05048	1.6
241.07117	1.2
242.02374	0.7
243.02995	1.6
256.03427	0.7
257.04495	0.8
283.26437	47.3
284.02963	4.8
284.26779	29.9
284.30002	0.9
285.04056	32.0
285.26935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0613
Annotation	Acacetin
Peak:m/z	Relative Intensity
56.92365	0.2
59.01373	0.8
63.02404	0.8
65.00351	0.7
70.46378	0.5
83.01395	0.7
93.03465	0.3
97.02949	0.2
107.01392	1.7
108.92155	0.2
117.03471	4.8
117.04261	0.3
118.03796	0.4
123.00900	0.2
131.12007	0.2
148.01707	1.7
149.99606	0.8
151.00403	2.3
158.03816	0.2
165.01938	0.7
169.01413	0.3
171.04535	0.7
172.05289	0.6
172.40019	0.2
173.04533	0.2
184.05354	0.5
195.04524	0.3
196.05301	0.8
199.04037	0.3
200.04820	0.8
211.04021	1.7
212.04730	1.0
219.13962	0.2
224.04759	0.3
239.03502	3.9
240.04271	4.6
241.04680	0.4
267.02936	2.1
268.03757	100.0
269.04089	9.8
283.06122	91.9
283.26425	18.0
284.06464	9.5
284.26898	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99608	1.8
59.01380	15.2
59.64154	0.3
61.89363	0.3
69.65499	2.5
70.29009	0.2
71.01384	1.5
73.02953	0.5
75.00874	0.5
79.95747	0.9
81.03467	0.3
85.02962	0.7
87.00893	1.2
89.02446	0.5
96.96022	100.0
98.19855	0.4
99.04528	0.3
101.02444	0.7
102.98611	9.7
103.19372	0.3
113.02475	0.6
119.03477	0.3
127.11310	0.9
141.09239	0.9
155.10710	0.4
157.12361	3.9
161.04596	0.6
165.16214	0.4
184.76053	0.3
185.11894	0.7
203.12898	13.1
204.13213	0.7
237.08092	1.5
239.16481	0.6
249.06189	0.5
265.07507	1.3
276.84918	0.4
283.05212	1.9
283.08563	32.6
283.15140	1.7
283.26425	57.8
284.05896	0.5
284.08917	2.4
284.26755	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	282.2076
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
53.33842	0.6
57.03446	3.3
59.01390	1.5
66.03482	2.3
66.73897	0.7
71.47462	1.2
81.03433	0.9
82.02993	0.9
82.06653	1.3
84.04572	3.6
84.08204	7.1
85.02949	2.7
86.68005	0.7
92.05064	1.2
94.03001	3.9
100.04055	1.1
110.06142	26.3
112.04051	2.8
128.07202	64.5
129.07550	2.1
153.12880	11.9
162.74123	0.7
169.16011	5.8
179.14481	4.5
181.16045	4.6
183.17570	1.0
194.15497	3.3
196.17087	78.4
197.15756	0.9
197.17381	4.7
207.17612	0.8
209.19112	1.7
220.17152	3.3
238.21777	56.0
239.22122	4.9
249.92619	0.7
264.19720	17.5
265.19955	1.4
282.20758	100.0
283.21243	9.9
283.26382	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	282.2076
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
51.56420	0.3
57.03445	4.4
57.68012	0.3
58.55183	0.3
59.01379	2.5
61.98827	0.2
66.03493	1.6
67.08353	0.2
68.99822	1.0
69.03472	0.5
69.72220	1.8
70.98776	0.2
71.05041	0.9
71.43280	0.2
72.00934	0.3
72.99312	0.4
75.00862	0.3
76.67970	0.2
78.20511	0.2
82.03008	0.5
82.06642	1.1
83.05034	0.8
84.02193	0.3
84.04559	3.2
84.08195	7.9
85.02959	4.6
87.00883	0.5
92.05077	1.1
94.02998	5.3
95.03317	0.3
100.04056	3.5
108.04589	0.6
110.06136	25.6
111.06476	0.8
112.04062	3.3
112.98831	0.7
113.02483	0.2
113.99592	0.4
115.00408	0.6
128.07196	58.1
129.07544	1.8
151.11301	0.9
153.12871	9.8
154.13229	0.7
169.16000	6.5
170.16429	0.4
171.14078	0.4
178.15952	0.4
179.14424	10.6
181.15996	3.7
182.16371	0.4
183.17519	1.7
193.15999	0.4
194.15504	4.0
195.13919	1.1
195.15770	0.3
195.17580	0.4
196.17079	75.6
197.11765	0.3
197.15509	0.8
197.17403	5.1
207.17685	0.5
209.19061	1.7
211.17010	4.0
220.17090	4.4
221.15453	0.4
221.19159	0.8
222.18448	0.3
223.08278	0.3
225.15013	0.8
236.20244	0.6
238.21758	54.7
239.16541	1.5
239.22081	4.3
240.19731	1.3
251.12996	0.4
255.16023	0.5
264.19672	16.9
265.19962	1.5
268.03796	0.5
282.20737	100.0
283.06107	0.5
283.15863	2.6
283.21222	10.4
283.26385	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	282.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03451	6.5
58.02971	0.6
59.01381	5.4
61.98830	1.4
64.17379	0.4
66.03496	0.7
68.99834	0.5
69.03463	1.9
70.54758	0.8
70.55112	1.0
71.01369	0.5
71.05006	0.5
72.47495	0.3
82.02993	1.1
84.04557	6.8
85.02969	0.5
96.00907	0.4
100.59913	0.4
103.45665	0.4
110.02506	0.5
122.02623	0.4
151.11264	0.6
153.12845	1.8
155.14384	2.5
163.44579	0.4
170.61700	0.4
179.14424	2.5
181.15994	2.7
192.17549	0.5
193.15982	0.5
195.13934	1.5
196.16907	0.4
209.15471	4.5
210.18727	2.1
211.17041	15.8
212.17374	1.0
220.17061	0.8
222.14996	1.9
223.08202	0.5
238.18130	100.0
239.18507	6.4
268.03784	0.9
282.14273	0.5
282.25320	0.6
283.06131	0.7
283.26443	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01381	8.6
61.98838	1.0
70.57564	1.7
71.05020	0.7
71.62950	0.5
83.05022	0.8
93.03486	1.1
97.06596	1.9
98.20110	1.1
99.08180	2.0
101.02429	1.2
109.02979	1.6
109.06647	0.6
111.04462	0.6
122.43059	0.6
123.04582	3.1
125.02491	0.6
126.03257	1.8
146.31929	0.7
151.11398	0.7
153.12869	3.9
169.77846	0.6
171.13937	27.2
172.14288	2.1
193.16141	0.9
195.17474	0.8
207.17567	1.0
209.19133	48.8
210.19460	4.3
218.53557	0.6
219.17505	2.9
221.15506	1.3
235.17056	0.8
237.18613	100.0
238.18933	7.5
281.13882	0.7
281.17554	3.5
281.20901	1.3
281.24930	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	281.1396
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01878	1.5
56.81903	0.6
57.03451	12.9
59.01383	19.6
60.08663	0.7
65.03957	2.9
69.03465	1.3
71.01379	2.1
71.05031	1.4
71.69514	0.7
71.69912	1.3
74.99100	1.1
75.00875	1.0
78.26413	0.7
81.03475	0.9
83.01418	0.9
83.05037	13.1
83.43498	0.6
85.02956	2.3
87.00887	14.3
89.02431	1.0
93.03482	2.9
95.01395	1.0
95.05013	4.2
96.96020	3.5
97.02961	2.3
98.03736	1.4
101.02462	0.9
101.06132	1.7
106.04227	0.7
109.02968	2.3
109.06627	1.3
111.04528	6.6
111.08176	3.3
113.06122	1.2
119.05042	2.4
119.08679	2.5
121.02906	0.8
121.06626	7.4
122.03787	1.0
123.08186	28.6
124.05319	2.4
124.08514	1.2
124.92738	0.7
125.09738	0.8
129.07115	1.3
133.06589	1.0
134.03757	5.8
135.03030	3.7
135.04539	1.3
135.08176	1.6
137.02463	2.3
137.06097	1.4
137.09731	4.0
138.06900	1.6
139.04051	0.9
139.07660	5.0
145.10294	3.4
149.06082	1.9
151.07629	3.7
153.09206	2.4
161.04634	0.7
163.04005	2.7
163.11229	1.0
165.04498	0.7
169.08733	1.9
169.10248	4.4
171.11818	33.1
172.12196	2.6
173.04553	0.8
175.11282	0.8
178.01421	0.7
178.02739	4.7
185.09769	0.9
187.11269	1.0
189.12869	10.9
190.13231	0.9
191.05595	0.9
191.10933	0.7
193.05096	11.8
194.05415	1.0
201.11250	2.3
201.12874	10.5
207.13921	6.9
219.13898	5.4
220.14204	1.0
237.14967	50.8
238.15283	3.6
281.07571	3.4
281.13947	100.0
281.24658	4.1
282.14267	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	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.7
59.01382	100.0
60.01721	1.3
60.99318	1.6
61.98836	1.0
69.87253	2.4
71.01400	2.3
73.02960	0.7
75.00878	0.5
75.38494	0.4
78.95943	0.5
80.96552	0.6
83.05026	0.4
85.02988	1.3
87.00903	0.7
87.04509	0.4
88.98818	12.8
89.02462	1.8
90.02773	0.4
96.96054	0.8
96.96988	0.4
99.00900	0.4
101.02452	3.7
109.02979	0.4
113.02458	1.1
139.04037	0.5
143.03635	0.4
161.04654	1.1
162.41064	0.3
164.07214	0.4
179.05809	0.4
181.22597	0.3
183.03073	0.7
183.24496	0.4
191.05513	0.4
193.01422	0.4
193.48814	0.4
204.34074	0.4
221.06750	0.7
221.10272	2.6
237.15175	0.7
241.58350	0.3
263.74890	0.3
280.95483	0.5
281.06888	0.9
281.11456	1.3
281.14160	1.3
281.24799	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	279.1966
Annotation	Dihydroisoobtusilactone
Peak:m/z	Relative Intensity
56.84589	0.4
61.56318	0.4
67.01904	2.0
68.99825	0.7
69.03461	58.5
70.03799	1.3
70.45909	0.7
70.46299	0.9
71.01379	1.3
73.12046	0.3
85.36261	0.3
94.23420	0.4
95.00888	0.4
95.01373	1.9
97.02962	11.8
181.15984	1.6
183.17570	8.8
184.17947	0.5
228.32193	0.4
232.10722	0.4
235.20763	1.9
250.85541	0.4
251.20129	1.8
279.19656	100.0
280.20020	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	281.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99316	12.4
64.61694	0.6
65.57612	0.6
70.38561	2.7
70.38937	1.2
73.73557	0.6
74.61240	0.6
85.38260	0.6
88.98824	100.0
89.99168	0.9
97.08470	0.6
97.32750	0.6
103.54428	0.6
130.81195	0.7
216.03589	0.7
278.32327	0.6
280.99277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	brefeldin A
Peak:m/z	Relative Intensity
53.00310	0.3
55.01874	0.4
59.01381	0.3
65.03959	0.4
67.01894	1.7
68.99817	2.4
69.03461	4.7
70.87143	0.6
71.01366	0.3
78.01114	0.2
79.01907	1.4
80.02691	1.2
81.03467	12.6
82.03845	0.4
83.01393	1.2
83.05009	0.3
93.03477	3.6
95.01398	2.4
95.05036	0.7
97.02966	21.9
98.03264	0.7
106.04277	2.1
107.01435	0.6
107.05072	2.3
108.02197	3.4
109.02988	0.5
109.29862	0.2
109.52728	0.2
111.00887	0.4
112.01662	0.7
119.05077	0.3
120.02227	0.2
121.02975	1.1
121.06651	1.2
122.03726	0.6
123.00906	14.2
124.01183	0.4
124.01680	0.4
125.02465	27.8
126.02803	0.8
130.01624	0.3
134.03731	1.5
136.01701	1.3
137.02460	1.7
138.03232	0.5
141.01965	1.4
141.22250	0.2
147.04573	0.3
148.05315	0.9
149.06102	0.8
149.99525	0.3
151.04005	0.9
151.11299	1.4
153.12875	1.1
155.14415	0.5
160.95309	0.2
162.06863	0.4
163.14958	0.4
165.01872	0.2
171.13931	2.1
177.12856	0.7
179.03523	0.3
179.14433	8.2
180.14760	0.5
181.15952	0.5
189.16464	1.0
191.14421	1.2
195.13921	21.2
196.14157	1.5
197.15448	0.4
203.14497	0.5
205.15981	10.4
206.16331	0.7
207.17567	0.7
209.15454	0.3
215.14444	0.3
223.16936	0.6
225.14960	0.3
233.15472	12.6
234.15703	1.1
235.13434	3.8
235.17000	1.5
236.13855	0.6
236.17102	0.3
240.60999	0.2
249.14952	1.2
251.16515	37.8
252.16817	3.1
261.15002	0.5
277.14526	1.8
278.15045	0.4
279.16013	100.0
280.16354	9.6
280.19458	0.5
297.88818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01377	1.1
59.84476	0.2
69.93620	1.3
71.93343	0.2
73.98096	0.3
80.96529	100.0
81.93784	0.2
81.96476	0.3
86.14594	0.2
112.86313	0.2
118.03017	2.3
122.01466	0.2
125.02488	0.6
126.09294	0.4
139.07666	0.2
171.01268	0.2
197.15450	1.2
220.17078	0.6
226.98045	0.3
235.06203	0.3
235.17145	0.4
236.07147	3.5
265.07504	0.4
279.12418	0.7
279.16061	1.2
279.23270	1.6
280.06128	3.0
280.22858	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	5-[1-Hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
57.03452	7.2
59.01376	4.3
65.52874	0.9
66.21304	1.0
69.03465	3.0
71.41031	1.2
79.05572	1.4
79.95731	1.0
81.03460	2.3
83.05058	4.6
87.04509	1.2
93.03479	1.6
95.05051	3.1
96.96032	13.9
97.02959	9.3
97.06595	2.3
99.04535	7.3
105.86156	1.0
107.05053	3.1
109.03024	2.0
109.06597	4.0
111.04541	6.4
121.06619	5.3
123.08169	3.4
124.05247	1.0
125.06093	10.2
133.06601	2.4
135.04568	2.1
135.08191	2.4
136.05330	16.8
137.06082	1.0
137.09738	3.5
139.07677	9.6
147.04573	1.6
147.08234	2.9
147.11810	3.0
149.06024	1.2
151.07672	100.0
151.11281	11.0
152.04785	1.3
152.07991	6.0
156.09451	3.8
158.07384	3.9
161.06035	1.3
161.09810	1.5
165.05641	1.1
165.09245	2.0
167.07150	4.7
168.07941	28.4
169.08731	9.2
169.10019	1.4
171.08214	2.3
171.11786	6.0
173.06134	1.2
173.09784	8.3
175.07689	1.4
175.11305	4.1
179.07179	7.2
179.10809	1.4
180.07652	1.1
184.08952	22.0
187.07611	1.2
187.11295	9.1
189.09271	2.9
189.12880	11.3
190.10118	1.1
191.10796	2.3
199.11310	12.2
199.13194	2.2
201.09245	10.0
202.09988	3.8
203.10713	1.6
205.12344	39.8
206.12682	2.2
215.10849	5.3
217.12344	59.4
218.12697	5.6
235.13448	9.1
243.10268	2.3
249.11314	1.2
261.11295	4.0
265.07425	1.3
274.23508	1.0
279.09067	11.2
279.12378	21.4
279.23346	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
56.42084	0.2
59.01385	4.1
70.44506	0.4
70.44897	0.5
71.01383	0.3
78.33929	0.2
79.63327	0.2
83.05058	0.2
96.96976	0.2
98.20005	0.3
108.15503	0.2
109.05116	0.2
121.02992	0.3
127.07729	0.2
183.13795	0.2
205.15892	0.5
233.19080	0.4
233.22751	0.3
234.23135	0.2
235.13313	0.4
259.20676	0.5
275.20193	0.4
277.18341	5.4
277.21713	100.0
278.18149	0.7
278.22061	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.15445	0.5
57.15403	0.5
59.01374	1.1
70.81595	1.5
70.81944	0.6
71.01369	0.6
77.22947	0.5
80.54356	0.5
92.01218	0.5
120.77554	0.5
137.16951	0.5
202.34087	0.5
211.36548	0.6
277.21732	100.0
278.22073	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	277.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.0
65.28386	0.2
71.01351	0.3
71.25109	0.4
79.95744	3.8
80.96524	10.0
91.32068	0.3
96.96033	0.4
96.96988	0.5
106.35559	0.2
121.02973	0.4
123.04549	0.3
153.12891	0.6
155.14401	0.5
155.45256	0.3
168.64165	0.3
171.13892	0.5
179.14401	0.4
185.15512	0.4
197.15489	100.0
198.15840	6.6
205.16003	1.4
205.43062	0.3
208.07393	0.5
233.19096	0.6
249.11656	6.7
250.11954	0.6
277.11163	40.7
277.18036	13.2
277.21600	1.9
278.11508	2.9
278.18469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1227
Annotation	Pantetheine
Peak:m/z	Relative Intensity
58.02973	3.6
58.14473	0.3
59.01380	2.2
60.93010	0.3
70.02602	0.8
70.02985	11.9
71.01377	0.8
71.05025	22.6
71.70516	0.4
72.00906	0.9
74.89771	0.3
78.95913	0.7
79.87126	0.3
85.02962	0.7
87.05651	7.7
93.03456	0.4
96.97003	1.6
96.97503	0.3
97.04083	0.6
98.06129	0.4
99.00896	0.5
99.04538	8.0
115.00410	0.5
115.05151	2.3
116.07194	4.3
129.05600	1.8
130.03348	10.8
133.02966	0.9
146.08253	100.0
147.04855	0.8
147.05998	5.8
147.08586	3.2
161.02464	1.1
177.01942	1.5
191.92801	0.4
215.03372	0.3
217.11942	24.7
218.12279	1.2
233.04605	0.6
243.13530	0.9
277.12274	52.9
277.21701	2.2
278.12619	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
70.41299	1.2
70.41678	0.6
75.00882	0.4
78.95912	37.7
84.04556	0.4
91.09071	0.3
96.96978	100.0
108.07948	0.3
146.96573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45486	0.3
59.01378	0.4
62.12960	0.3
70.35460	0.8
70.35865	0.9
76.27317	0.3
78.95913	38.4
89.02468	0.4
96.96976	100.0
98.52591	0.3
110.89925	1.0
149.04555	0.6
293.08075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0666
Annotation	7-Oxodehydroasimilobine
Peak:m/z	Relative Intensity
50.34983	0.5
53.40205	0.5
59.01365	1.5
65.17704	0.4
75.77066	0.6
96.96979	1.1
102.05612	1.0
145.09131	0.5
188.05551	0.7
229.95706	0.5
233.04820	100.0
234.05136	7.4
240.46747	0.6
261.04294	98.9
262.04626	9.3
276.06665	91.9
276.19727	1.2
277.06992	8.8
277.14569	1.2
277.21826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0667
Annotation	7-Oxodehydroasimilobine
Peak:m/z	Relative Intensity
50.33379	0.1
59.01372	0.4
59.48415	0.2
61.61503	0.2
67.47491	0.2
71.62473	0.4
71.62832	0.2
72.16815	0.2
89.69516	0.2
92.63087	0.2
107.01523	0.2
122.66258	0.2
128.43997	0.2
233.04816	88.5
234.05150	8.1
246.05594	0.6
261.04288	100.0
262.04620	9.2
265.03714	0.8
276.06650	25.7
277.07059	2.8
277.21674	0.6
287.24713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
58.85633	1.0
59.01382	59.4
69.74562	2.4
69.74979	6.4
78.84866	1.1
83.05024	2.7
93.03477	4.9
96.06796	1.0
103.67627	1.1
120.22749	1.1
121.02988	3.3
122.32146	1.3
123.31058	1.1
125.09751	5.8
135.04533	2.3
136.01668	1.8
137.02466	2.8
137.09732	19.7
153.09241	25.4
155.10825	12.3
168.52080	1.3
171.10286	5.2
181.08746	5.3
181.18411	1.1
185.10320	1.3
185.11789	5.8
193.07603	1.2
199.09726	5.8
205.48897	1.1
213.11305	13.5
215.19232	1.2
231.12376	100.0
231.16029	4.0
232.12837	7.6
244.03723	1.5
245.04449	1.3
255.06656	1.8
273.03769	1.9
273.07617	6.5
273.13568	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	275.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88451	0.8
59.01383	100.0
59.38078	0.9
60.01717	2.0
70.72477	3.3
80.76595	0.7
83.53139	0.8
85.69648	0.7
110.48724	0.8
111.98489	0.8
114.68947	0.8
127.28280	0.7
145.35483	0.7
158.07330	0.8
194.23694	0.9
197.15483	19.2
197.17209	1.6
208.65167	0.7
265.17926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01146	0.5
59.01414	1.5
60.99341	1.5
61.98854	0.7
65.00374	0.6
69.94025	1.7
69.94426	1.3
72.60268	0.5
83.01420	0.7
83.05074	0.8
84.14397	0.6
85.04350	0.5
89.08851	0.5
98.18789	0.4
101.21046	0.5
107.01466	0.8
108.02213	0.6
109.03046	1.7
115.92844	0.6
119.05033	2.8
125.02518	1.1
151.00423	1.7
154.29152	0.6
171.33760	0.5
181.06599	7.9
182.06993	0.7
186.28256	0.5
203.73781	0.5
209.06094	35.2
210.06502	2.6
227.07150	100.0
228.07507	5.5
241.04993	0.5
253.05040	7.1
256.03888	1.0
270.25189	0.6
271.02533	5.3
271.06073	41.9
271.15494	1.2
271.22714	1.9
272.06375	2.6
272.09268	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	273.034
Annotation	Phenylbenzimidazolesulfonic acid
Peak:m/z	Relative Intensity
51.05670	0.2
59.01374	0.9
65.25562	0.2
69.72585	0.6
69.73012	1.0
70.80934	0.2
79.95738	2.5
82.01800	0.2
87.00906	0.3
90.00198	0.2
93.03485	0.6
93.26727	0.2
98.20528	0.3
109.02953	0.3
120.99665	0.9
135.04579	0.4
137.02489	0.4
143.11945	0.2
147.04489	0.2
148.30057	0.2
166.23811	0.2
173.04521	0.3
175.04036	0.5
191.05690	0.4
193.07721	100.0
194.08069	6.8
208.06470	0.5
209.07314	1.1
273.03384	89.9
274.03723	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	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.61127	0.5
57.75027	0.5
59.01379	1.4
63.02402	10.3
63.43190	0.5
65.00331	14.6
65.20095	0.5
71.40164	0.8
83.01398	9.9
93.03473	12.7
107.01405	26.5
109.02953	1.2
110.73651	0.5
117.03484	0.9
119.05047	73.0
120.05388	3.0
121.03001	0.7
123.86273	0.5
125.02466	1.6
134.70299	0.5
137.02480	0.5
143.05035	1.3
145.03006	1.9
151.00395	61.9
152.00728	2.0
161.06117	0.9
164.46054	0.6
165.01970	3.2
169.01419	4.9
177.01967	10.5
177.05515	0.7
185.06082	1.0
187.04013	2.4
227.07178	0.9
230.76158	0.6
235.09677	0.7
243.02936	0.7
250.68996	0.6
253.05144	0.9
270.25607	0.5
271.06110	100.0
271.22751	1.6
272.06509	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	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01376	1.2
63.02403	9.7
65.00330	17.2
68.99825	0.6
72.99287	0.4
79.05544	2.6
81.03465	1.0
83.01395	10.5
83.01872	0.6
84.01766	0.3
91.01943	0.4
93.03476	13.9
94.03796	0.8
95.01437	0.4
106.14191	0.3
107.01410	27.1
108.01675	0.5
108.02301	0.4
108.99365	0.3
109.02987	0.5
117.03495	0.7
119.05051	72.8
120.05391	2.6
121.02975	1.1
121.06635	3.6
123.04570	3.2
125.02477	2.1
133.03050	0.6
137.02458	0.5
143.05092	1.7
145.02986	1.4
145.80099	0.3
149.02431	0.8
151.00404	65.9
152.00737	1.9
155.05005	0.5
156.05756	0.3
161.06108	1.3
165.01974	3.8
165.05602	12.4
169.01465	5.4
169.81277	0.3
171.04558	0.9
174.01715	1.3
177.01965	9.6
178.02229	0.5
185.06139	1.6
187.04044	3.3
198.03386	0.4
199.04039	1.8
203.03535	0.8
203.06894	0.4
215.03531	1.3
227.03525	1.3
227.07162	1.5
229.01447	0.8
229.05118	0.8
229.08687	0.5
238.39833	0.3
242.01906	0.7
243.02985	2.4
250.24013	0.3
253.05014	0.4
255.02751	0.3
270.24963	0.4
271.02588	28.1
271.06165	100.0
271.09613	7.2
271.22623	1.6
272.02933	2.9
272.06509	7.2
272.09824	0.5
294.80792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98827	1.1
63.02406	1.1
65.00325	3.8
81.03512	0.4
83.01405	2.0
93.03473	76.6
94.03803	1.8
95.01388	1.4
107.01414	4.9
108.02201	10.6
109.02991	2.9
117.03487	1.1
118.03014	3.5
118.03823	1.0
118.06650	8.7
119.05050	11.3
125.02441	0.5
132.04585	1.5
136.04065	7.8
148.04070	32.6
149.02521	0.6
149.04413	1.1
151.00395	13.7
160.04047	1.2
161.06067	0.7
165.01932	0.9
169.01549	0.5
176.35854	0.4
177.01898	0.9
187.04045	1.3
211.07585	1.2
227.07208	0.7
238.08781	6.0
239.09143	0.5
270.05145	10.3
270.11349	100.0
270.25052	0.9
271.06082	16.3
271.11667	8.1
271.22986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35654	0.2
59.01390	2.0
59.30278	0.2
61.98851	0.3
71.71991	0.4
80.02697	0.6
88.73323	0.2
93.03461	0.3
95.01392	0.2
106.03005	1.0
107.01451	0.5
108.02195	5.2
109.03004	0.6
119.05017	0.5
120.04573	3.8
121.02975	1.7
122.02502	0.6
123.00925	0.4
123.03290	2.3
123.04567	0.9
125.02443	0.3
136.04076	9.0
137.04398	0.4
149.01187	0.4
150.01993	1.3
151.00398	0.6
151.02782	10.5
152.03130	0.4
164.03566	6.7
165.03859	0.3
166.05099	0.6
178.05151	0.2
183.98029	0.2
184.98413	0.2
227.09489	1.9
228.09854	0.2
254.29579	0.2
255.09019	100.0
256.06589	0.4
256.09363	8.9
270.11356	54.3
270.21481	0.7
271.02454	0.7
271.06104	0.7
271.11700	5.1
271.22696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
63.38324	0.3
71.69446	0.4
81.03450	0.8
81.19294	0.3
83.01411	0.3
85.27513	0.3
91.01919	0.4
91.69838	0.3
93.03484	0.5
104.49812	0.4
107.01418	1.1
108.02172	3.0
109.02971	100.0
110.03304	3.3
111.00878	0.7
121.02978	1.4
123.00896	1.4
123.04535	1.0
124.01682	1.1
125.02461	0.5
132.04572	0.6
133.05368	8.6
134.02490	1.2
134.06146	19.4
135.00909	1.3
135.06543	0.7
137.02449	0.3
148.04079	0.7
149.02509	0.4
160.04074	7.8
161.04489	0.4
162.01970	0.4
164.03645	0.3
176.03680	0.4
183.64166	0.3
226.06447	0.4
227.07140	2.9
243.06648	2.0
252.06894	0.4
270.07715	89.8
271.02496	3.4
271.05374	0.5
271.08109	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	270.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27732	0.2
59.01382	0.7
71.69856	0.4
83.01416	0.4
84.80968	0.3
91.01919	0.5
93.03463	1.0
108.02192	1.9
109.02972	100.0
110.03314	3.3
111.00906	0.8
118.03034	0.3
120.04587	0.3
121.02985	4.8
123.00879	0.8
123.04537	1.0
124.01694	1.1
132.04602	0.8
134.02507	10.1
136.04068	1.7
137.02480	1.7
144.04575	6.0
149.02470	8.4
160.04071	16.4
161.04355	0.6
164.03606	1.4
166.50314	0.3
199.04012	0.5
224.07126	1.2
227.03539	0.6
241.01349	0.6
242.02101	0.4
243.02931	0.5
251.05655	0.3
252.06665	17.7
253.07014	1.7
270.01498	1.1
270.07715	46.5
271.02493	6.5
271.08191	4.0
289.62341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1757
Annotation	Methyl didehydroplakortide Z
Peak:m/z	Relative Intensity
51.94307	1.3
55.01871	3.2
57.03461	2.1
59.01381	11.6
61.98849	3.8
69.03461	25.4
70.10213	1.4
71.01420	3.2
71.71637	2.0
73.02949	1.5
83.01385	12.1
85.02978	2.7
89.02437	6.5
93.03481	1.7
95.05097	1.3
97.02982	2.8
99.00893	2.2
101.02514	1.3
109.02915	1.3
124.01691	3.2
153.12891	3.4
171.13914	2.1
179.14432	9.6
181.15999	63.8
182.16357	4.2
193.15962	3.8
197.15520	2.6
209.15468	33.0
210.15717	2.8
228.35162	1.4
237.14963	100.0
238.15300	6.5
253.14523	1.5
269.14728	2.0
269.17584	17.9
269.21210	28.9
269.24814	13.4
270.21652	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	269.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01056	1.1
52.22715	1.1
57.03456	2.6
59.01370	8.4
61.98820	3.4
66.58561	1.1
71.01390	6.8
71.04623	1.2
71.71995	1.4
87.00911	1.2
88.98826	3.0
89.02463	5.9
93.03490	1.9
101.02541	1.4
108.02155	1.1
109.02966	19.4
133.05325	1.9
134.06125	2.8
153.12909	1.9
160.04100	1.5
169.16083	1.6
174.03224	2.1
175.03795	1.2
179.14435	87.6
180.14740	3.3
185.64702	1.1
195.13933	2.0
197.15472	26.5
198.15834	2.5
214.95200	1.3
223.13255	1.7
225.14973	100.0
226.15271	5.7
246.81900	1.3
254.07811	2.6
266.69327	1.3
269.14005	20.6
269.21185	24.3
269.24799	11.2
270.07721	17.2
270.14078	1.7
270.21490	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	269.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33056	2.3
58.47949	2.8
60.99308	12.2
67.10219	2.3
71.01392	5.0
71.36774	3.2
71.37099	4.5
73.59917	2.2
78.95931	3.3
88.98820	100.0
96.96964	2.6
115.00404	7.2
119.92519	2.3
120.28735	2.5
133.01476	22.9
143.04645	4.0
193.98479	2.7
195.05170	4.4
229.65236	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	269.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52441	1.1
58.98839	1.1
59.01373	1.7
60.99309	12.9
64.60595	1.2
69.55293	8.2
69.55702	2.4
71.01382	3.2
72.12025	1.1
78.95924	1.6
88.98819	100.0
89.02460	13.7
94.59758	1.2
96.97002	1.4
98.19930	2.3
115.00375	4.5
120.48535	1.1
124.00755	2.1
133.01460	10.1
161.45137	1.1
167.03833	1.5
218.22659	1.1
225.02292	1.7
233.07933	1.0
244.17703	1.2
269.07291	2.1
269.21213	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	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.01392	1.5
60.30673	0.2
61.98820	0.6
63.02400	1.2
65.00321	3.4
71.01385	0.4
71.20259	0.6
80.48035	0.2
81.03484	0.3
83.01396	1.3
87.04513	0.7
88.98785	0.4
89.02450	1.1
93.03468	6.9
93.97563	0.2
94.42935	0.2
95.01410	0.3
105.03487	1.0
107.01403	5.7
108.02219	1.0
109.02967	0.3
111.56567	0.2
117.03482	21.3
118.03017	0.4
118.03808	0.9
118.06664	0.8
121.02974	1.5
136.04047	0.7
139.04111	0.3
141.03537	0.2
148.04073	3.1
149.02461	9.3
150.02780	0.2
151.00391	10.4
152.00757	0.4
157.06572	0.4
159.04532	2.4
169.01405	0.3
169.06529	0.3
180.05838	0.6
181.06627	1.4
183.04495	1.4
185.02530	0.3
196.05362	0.2
197.06065	0.7
201.05600	2.1
224.04849	0.3
225.05566	3.7
225.15022	1.2
225.22130	0.3
227.03537	1.4
228.03777	0.2
238.08751	0.7
241.05171	0.5
269.04541	100.0
269.17606	1.1
269.21201	3.5
269.24829	2.0
270.02054	0.2
270.04868	8.6
270.11325	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	268.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03440	3.9
58.28081	0.9
59.01370	3.5
61.67699	0.8
61.98827	1.5
69.03451	4.1
70.06601	3.7
71.01362	0.9
71.05029	8.3
71.70358	0.9
71.70750	1.5
89.02469	2.4
93.03454	1.2
96.04571	1.0
101.85162	0.8
103.33205	1.0
109.02930	1.2
114.05600	3.8
120.24447	1.0
153.12921	6.7
169.16019	18.8
170.16284	1.4
179.14417	1.2
181.16010	100.0
182.16333	8.4
183.16164	1.0
183.17598	10.8
196.17082	1.1
206.19200	7.9
222.16570	1.0
222.18634	5.9
224.20207	50.2
225.20494	4.5
226.15324	1.6
237.14934	1.4
238.15244	3.2
250.15285	3.3
251.20068	1.7
252.45868	0.9
266.14746	2.5
268.06027	1.5
268.16251	10.3
268.19128	59.8
269.16968	1.4
269.21149	12.9
269.24847	3.4
278.21664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.1
60.01725	0.5
61.37453	0.3
61.98835	100.0
65.02549	0.3
70.90777	0.3
71.70157	0.5
72.01727	0.3
78.95940	0.5
88.98832	1.2
89.02452	0.5
135.03152	0.5
142.99899	0.6
165.42496	0.3
173.00934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60344	0.2
55.13149	0.2
59.01386	1.2
62.38959	0.2
70.57572	0.4
70.57935	0.5
75.67526	0.2
78.95913	38.1
87.00904	0.3
94.02402	0.2
96.96977	100.0
101.02493	0.2
104.82187	0.2
108.44791	0.2
109.02949	0.2
109.93964	0.2
114.26521	0.2
117.86980	0.2
121.03088	0.2
135.04544	0.7
168.99066	0.5
173.04500	0.3
179.10323	0.3
196.04022	0.2
211.07700	0.3
224.03450	1.2
239.07104	0.4
267.06552	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	267.1601
Annotation	Pulicanone
Peak:m/z	Relative Intensity
55.01881	0.4
57.03457	1.1
59.01388	3.2
61.98825	0.6
65.03972	0.8
67.01907	1.2
68.99843	0.8
69.03468	2.8
71.05027	2.0
78.95906	0.4
80.02712	1.3
80.04464	0.3
81.03471	0.4
83.01420	0.5
83.05001	0.7
84.02204	0.6
85.02966	3.2
87.00898	0.7
93.03497	0.4
95.01446	1.0
96.97057	0.6
97.03005	1.0
98.19897	0.7
99.00916	0.7
106.04301	0.7
108.02192	6.3
108.02883	0.4
109.03001	3.1
110.00113	1.8
111.00883	1.7
113.02461	3.8
121.02991	0.7
122.03811	0.5
123.00964	0.6
123.04626	0.4
124.01687	1.7
125.02058	0.5
126.02196	0.6
126.58537	0.4
127.00436	0.5
135.92992	0.3
136.01682	3.5
137.02425	1.7
137.99590	2.4
139.00392	2.7
140.01198	6.6
150.03242	5.4
150.04372	0.5
151.11357	0.4
153.01906	0.6
153.12848	1.7
154.01686	0.5
154.13376	0.4
155.14508	1.6
155.43954	0.5
163.14940	0.8
167.14459	0.5
169.16048	1.4
179.14368	2.7
181.16017	22.1
182.16327	5.4
182.17662	0.4
183.16577	8.2
191.14525	1.1
193.16048	4.2
194.16324	1.7
195.13989	2.2
195.16452	4.5
197.15465	0.6
203.14557	0.5
205.16046	1.0
207.13928	3.8
209.15454	3.0
210.15932	0.9
211.16011	3.4
221.15482	5.7
221.17465	0.5
222.15909	0.4
222.18628	0.7
223.13647	0.6
223.17119	5.8
224.20129	1.7
225.14977	12.5
226.15311	0.7
235.13403	2.2
236.13916	0.3
237.14969	24.9
237.43484	0.3
238.15274	2.1
239.15912	5.3
249.14960	34.2
250.15356	2.4
251.13107	0.5
252.13678	9.6
252.16165	0.6
253.14079	0.7
265.14450	23.1
266.14682	1.7
267.15912	100.0
268.16376	7.9
268.19336	2.2
277.66055	0.4
283.15689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2173
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
59.01378	3.5
61.98819	1.3
69.90005	1.7
69.90419	1.8
74.73103	0.5
79.95741	0.8
86.57999	0.6
96.96024	34.8
97.69915	0.5
125.02364	0.6
139.90440	0.6
148.20227	0.6
163.04019	0.7
189.82500	0.5
191.88434	0.6
237.14647	0.7
265.14804	29.4
265.21710	100.0
266.15033	2.6
266.22021	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	265.1809
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
51.98600	0.3
55.08376	0.3
55.51092	0.3
56.94917	0.3
57.02147	0.2
59.01377	0.8
67.01891	2.2
68.99817	0.7
69.03461	58.8
70.03806	1.5
71.01389	1.1
71.51892	0.4
71.52225	0.4
83.05053	0.3
89.69753	0.3
95.01389	2.0
96.96028	7.4
97.02965	12.3
108.42617	0.3
130.19424	0.3
141.12820	0.3
167.14449	1.6
169.16000	9.7
170.16377	0.5
193.16066	0.4
197.15355	0.3
209.15538	0.7
219.17542	0.6
221.19072	1.9
237.18549	1.9
265.14893	6.7
265.18060	100.0
266.15527	0.6
266.18414	9.8
269.20270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1445
Annotation	Rugosal A
Peak:m/z	Relative Intensity
50.71403	0.2
52.26864	0.2
55.01876	1.0
59.01384	0.3
64.48158	0.2
64.90997	0.3
67.01900	0.6
69.03465	2.8
70.79267	0.7
70.79626	0.3
71.05028	5.8
71.05400	0.5
71.91209	0.2
77.92995	0.2
79.80033	0.2
80.02686	0.6
81.03472	0.7
82.10694	0.3
83.01414	0.3
83.05031	0.7
94.56812	0.2
97.02973	0.8
97.06651	0.2
98.20485	0.2
103.22138	0.2
107.47423	0.2
107.89629	0.2
108.02215	0.3
110.03749	0.4
124.01694	5.3
124.02590	0.3
151.11298	0.5
152.01164	2.6
153.12863	1.2
175.14934	0.9
179.14459	1.9
181.16005	40.2
182.16348	2.3
191.14442	0.5
193.15990	20.0
194.16431	1.2
209.15472	9.4
210.15828	0.6
221.15479	3.8
222.15752	0.3
237.14963	16.3
238.15308	1.5
265.14444	100.0
266.14783	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	265.1445
Annotation	Rugosal A
Peak:m/z	Relative Intensity
55.01877	0.8
57.03439	0.4
58.59637	0.2
59.01379	1.0
63.00732	0.2
67.01897	0.8
69.03455	2.7
70.72117	0.6
71.05028	6.0
78.50910	0.2
80.02676	0.6
81.03465	0.6
83.01415	0.5
83.05036	0.7
84.02174	0.5
95.05057	0.2
96.04578	0.3
96.95993	0.3
97.02969	0.8
97.06614	0.6
101.65402	0.2
106.47021	0.2
108.02195	0.2
110.03808	0.2
111.00869	0.3
111.04567	0.2
124.01690	5.8
151.11278	0.2
152.01187	2.4
153.12857	1.8
167.14354	0.2
175.14929	1.3
179.14438	2.4
181.16005	45.1
182.16354	2.5
191.14410	0.7
193.16000	21.6
194.16348	1.5
209.15486	9.8
210.15833	0.6
221.15474	4.2
222.15799	0.2
237.14969	18.5
238.15349	1.0
250.04590	0.2
265.14450	100.0
266.14780	8.8
266.17706	0.3
268.79538	0.2
285.61649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1443
Annotation	Rugosal A
Peak:m/z	Relative Intensity
55.01876	0.9
57.03460	0.3
58.30068	0.2
59.01378	1.2
67.01891	0.5
69.03460	3.2
71.05026	5.4
71.40478	0.4
71.40815	0.2
72.05349	0.2
79.64320	0.2
80.02685	0.5
81.03473	0.8
83.01429	0.4
83.05038	0.6
83.65949	0.2
84.02204	0.4
95.05042	0.3
96.96023	0.4
97.02975	0.6
97.06614	0.4
108.02187	0.4
111.00934	0.4
124.01685	5.9
127.30599	0.2
135.85223	0.2
151.11313	0.4
152.01190	2.3
153.12854	1.3
167.14607	0.2
171.05690	0.2
173.54173	0.2
175.14989	1.1
175.16313	0.2
178.06490	0.2
179.14435	2.1
180.14819	0.2
181.16010	43.3
182.16319	2.3
190.13127	0.2
191.14459	0.6
193.16000	22.2
194.16348	1.5
209.15482	11.1
209.18457	0.3
210.15846	0.8
221.07819	0.2
221.15454	4.5
221.17451	0.3
222.15822	0.3
237.14972	17.1
238.15271	1.5
250.04594	0.2
265.14444	100.0
266.14771	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70704	0.5
55.01886	0.5
55.95315	0.6
56.24727	0.6
57.03461	2.8
58.00599	1.5
59.01384	45.4
59.57638	0.6
71.01391	23.1
71.70115	1.2
72.99312	2.3
73.02971	1.1
75.00864	0.7
78.56668	0.5
83.01388	1.3
85.02962	24.3
86.03313	0.7
87.00899	2.6
89.02459	23.2
89.28249	0.5
95.01411	1.2
99.04556	1.6
101.02464	16.4
103.04028	26.0
104.04359	0.7
106.26106	0.5
113.02467	8.8
118.98109	1.0
119.03525	10.2
122.42947	0.5
131.03505	1.0
135.04886	3.3
136.04071	1.6
143.03511	1.2
145.05087	0.8
154.84645	0.5
161.04575	1.1
163.04037	0.8
164.11363	0.5
165.06686	1.1
179.05614	1.8
265.09290	100.0
266.09573	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.9
58.00599	4.0
58.00846	0.8
59.01381	100.0
60.01725	1.0
69.74077	5.9
71.01389	61.1
72.99331	4.4
73.02949	2.5
83.01387	2.1
85.02962	52.4
86.03282	2.0
87.00878	3.8
89.02454	67.9
90.02801	1.4
95.01419	4.3
101.02459	32.2
103.04028	1.5
113.02463	26.0
119.03526	28.2
125.89932	0.8
131.03502	1.9
134.04735	7.3
135.04866	3.3
143.03516	4.6
149.04564	2.0
161.04568	3.9
177.05510	0.9
179.05614	8.5
191.05568	1.1
223.36847	0.9
265.09317	15.6
283.98120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85314	0.5
57.55333	0.6
58.99613	2.9
59.01383	13.3
60.74520	0.5
61.01177	1.2
67.01904	0.6
68.18232	0.6
71.01392	3.3
72.99316	0.6
73.01173	0.9
73.02962	3.7
78.88546	0.5
80.96534	0.8
85.02968	1.7
87.00890	6.7
87.04525	1.2
89.00685	2.9
91.57274	0.6
93.03485	1.2
99.00928	0.8
101.02456	2.5
102.98647	1.2
109.02975	2.1
111.00949	0.6
111.61687	0.5
113.02483	1.2
115.92039	0.5
117.03816	1.2
121.02983	1.1
133.03233	1.8
134.03746	0.6
134.04745	0.5
134.52191	0.5
135.04883	100.0
136.05174	2.6
147.04541	0.7
149.06081	0.7
153.56454	0.4
159.04579	0.8
161.04622	1.2
163.04063	0.8
168.89014	0.9
173.04579	1.7
175.06398	2.3
177.05705	1.7
178.06387	0.7
179.03568	1.8
186.90022	0.9
191.05612	3.4
199.07605	0.6
203.03510	0.7
203.09088	0.9
204.10345	3.2
205.05383	5.3
219.93309	0.5
221.12260	0.5
223.06451	16.6
224.06741	0.9
243.06116	0.6
247.11653	0.7
248.12944	2.5
265.04865	0.5
265.07513	9.2
265.14813	0.9
269.08240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01728	1.0
71.70634	0.6
73.02956	1.0
101.02451	0.5
102.93456	0.4
107.93427	0.4
117.46418	0.3
125.06168	0.4
125.90791	0.4
137.06093	0.4
139.07797	0.5
151.07710	0.8
194.05843	0.5
198.05423	0.5
201.12959	0.6
204.11572	0.5
219.13991	0.9
263.12955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.129
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
55.01864	1.7
57.03441	2.6
59.01382	100.0
60.01711	2.2
69.43338	1.3
71.01389	6.7
71.29445	4.0
79.05551	1.3
83.05038	3.9
85.02946	1.6
95.05058	2.9
97.02956	11.7
99.04521	1.5
101.64465	1.4
102.63201	1.3
105.07168	1.7
107.05072	2.2
108.05827	5.8
109.02969	6.1
109.06638	2.9
111.04537	10.5
111.08206	1.4
113.06116	7.9
119.08708	3.5
121.06636	2.7
122.03747	11.2
123.08182	8.3
125.06119	13.6
135.08177	3.1
136.05307	12.9
137.06097	5.4
138.06888	15.7
139.07671	30.8
140.07983	1.8
148.05304	7.8
149.06110	5.5
151.00378	1.3
151.04012	2.3
151.07671	59.8
152.04819	7.2
152.08475	33.4
153.09216	7.7
159.11816	3.2
161.09758	4.2
163.07671	12.8
165.87541	1.4
166.06372	2.0
167.07191	1.5
185.09804	1.6
186.10555	2.0
188.08472	1.5
189.09262	4.2
194.05847	4.0
198.05371	2.9
201.12862	27.7
203.10802	19.3
204.11562	50.2
205.11888	4.8
219.13908	74.5
220.14227	4.2
234.05623	4.1
249.04306	1.8
263.10135	2.3
263.12860	18.5
264.06842	2.5
264.13211	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	263.0044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78409	0.5
56.83099	0.6
57.03440	0.8
58.99604	0.5
59.01376	1.5
60.99309	11.4
70.99734	1.3
71.01394	1.1
72.99287	0.6
73.02948	0.8
77.21404	0.5
78.95927	1.2
83.01408	0.7
87.00907	0.9
88.98816	100.0
89.02457	5.6
89.99177	1.2
93.03448	1.0
96.95959	0.5
96.96959	1.2
99.00872	1.1
99.04562	1.0
101.02457	0.8
109.02941	0.5
111.00991	0.6
112.98818	1.1
115.00391	0.8
115.02260	1.1
120.99628	0.6
122.89436	0.6
129.01984	0.9
133.01468	1.0
142.99869	2.0
161.04655	0.7
165.04102	0.9
173.00916	1.2
173.04547	1.3
208.24081	0.6
221.12750	0.6
263.12952	1.2
277.51587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.4
59.01384	100.0
60.01725	1.6
65.65569	0.4
66.41292	0.4
70.35455	0.9
70.35847	0.8
71.01398	0.7
73.02966	0.9
79.01924	1.1
80.56403	0.4
85.02962	0.5
89.02541	0.4
101.02512	0.9
111.04572	0.5
113.02524	0.8
139.00455	0.5
151.00462	0.9
165.02031	0.5
166.06483	1.1
194.05885	2.1
198.05417	1.6
203.05672	0.7
219.14061	0.5
219.22282	0.4
220.04298	0.6
221.04922	1.0
249.04317	5.9
263.09100	0.7
263.10242	0.7
263.12958	4.9
263.18777	0.7
264.03085	1.4
264.06546	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	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.6
59.01090	0.7
59.01383	14.1
67.01872	0.5
69.08445	0.5
71.01404	0.7
71.05025	6.4
71.69838	0.8
72.99324	0.5
74.02494	0.5
78.76379	0.4
79.25480	0.5
82.75350	0.4
82.86195	0.4
85.02943	1.6
85.06614	1.1
85.16621	0.5
87.15243	0.4
93.03467	1.7
94.89536	0.5
98.02529	0.5
101.02440	0.7
103.00378	2.3
111.08184	1.9
113.06102	2.1
113.09752	3.0
129.05571	0.8
131.07156	1.5
141.12885	8.8
151.11343	0.9
153.12837	1.8
157.08736	0.9
169.11003	0.8
169.12370	11.1
170.12735	0.9
171.13931	34.1
172.14250	2.1
173.04564	7.5
175.09775	15.5
176.10069	0.6
191.05634	5.9
199.13423	2.2
201.11292	0.9
215.12944	0.6
217.14459	100.0
218.08333	0.5
218.14810	6.6
219.12364	0.6
261.08902	0.6
261.11017	0.6
261.13470	11.8
261.22272	1.1
262.05017	0.5
262.13782	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	261.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01382	36.2
63.24695	0.4
63.41198	0.4
69.03465	0.7
70.03004	0.7
71.01426	0.7
71.05032	0.6
71.18176	0.5
71.18513	0.7
72.04553	0.5
73.02982	0.8
74.02483	9.5
84.04547	0.5
92.46320	0.4
97.06630	1.0
98.02512	2.1
107.08726	0.8
109.06627	1.4
109.10300	0.4
111.08171	3.7
113.09782	0.4
116.03544	5.5
119.49652	0.4
123.08192	1.0
124.54020	0.4
125.09745	6.3
127.07680	0.8
128.03583	0.7
132.04587	2.8
137.09741	0.6
141.09233	2.6
143.10806	11.6
144.04565	0.8
144.11073	0.6
146.06079	0.5
153.09247	0.5
155.10808	1.8
157.12383	3.3
158.06209	2.4
173.11949	0.7
174.05623	1.1
201.06723	0.9
201.11346	11.5
202.05170	1.9
202.11682	0.7
219.12386	100.0
220.12741	5.2
222.82616	0.4
233.04662	0.5
261.04340	0.4
261.09116	3.8
261.13406	18.5
262.13715	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	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01729	0.9
69.34821	2.9
71.01401	0.3
87.00823	0.2
98.19882	0.4
101.13499	0.2
103.05834	0.2
104.74651	0.2
108.19748	0.2
129.53992	0.2
140.07224	0.5
173.04605	0.3
174.66020	0.2
201.11368	0.8
219.12366	1.4
242.42528	0.3
244.09824	0.8
261.13373	1.3
261.22250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.3
59.01384	37.1
69.03462	2.0
70.02979	1.0
71.01381	1.0
71.05025	2.0
71.07632	0.6
71.07977	1.0
72.04552	0.7
74.02476	6.1
83.05030	1.6
85.03006	0.6
85.06600	1.4
87.00879	2.1
87.04533	10.9
93.03446	0.6
95.05049	1.2
97.02969	0.8
97.06632	3.7
98.02473	1.0
98.47803	0.6
101.06104	2.3
104.25827	0.5
107.08713	1.0
113.02484	1.3
113.06100	1.1
115.07689	1.9
116.03574	3.8
121.10191	0.5
123.08152	1.2
125.09740	5.1
128.03568	1.0
131.03586	1.1
132.04556	2.4
143.10759	1.6
144.04576	0.6
150.97694	0.5
153.09280	2.7
155.10814	2.8
157.12350	4.5
173.04506	0.6
173.11861	10.5
191.05673	1.0
201.06728	0.8
201.11345	21.1
202.11757	0.8
219.12389	100.0
220.12791	4.5
237.32018	0.5
261.08939	2.2
261.13425	13.6
261.22165	0.9
262.13889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37374	0.4
56.14360	0.5
57.03438	1.2
59.01382	39.9
69.58949	4.0
71.01385	14.9
71.05025	5.9
72.99314	1.9
73.02966	0.7
73.85614	0.5
74.02478	2.4
83.05021	0.7
85.06591	0.7
87.00895	0.6
93.03474	0.7
97.06601	1.3
98.02483	1.0
98.20651	1.0
99.08180	1.4
101.06080	0.5
108.91821	0.4
109.06625	0.5
109.11842	0.5
111.00903	0.5
115.05534	0.9
116.03561	1.3
118.63557	0.4
119.05131	0.5
125.09734	1.0
127.11328	2.2
129.09238	12.7
130.06653	1.0
132.04561	1.1
137.09723	2.1
137.31863	0.4
144.04498	0.6
146.06102	0.6
155.10828	5.2
156.94119	0.4
157.12360	2.7
158.06133	11.1
173.04576	0.8
174.05595	3.5
175.04051	0.7
183.10281	2.3
187.09738	0.5
191.03577	1.0
191.05545	1.1
193.14560	0.6
201.11334	34.1
202.05138	7.6
202.11728	1.4
205.05052	0.6
217.05006	0.5
217.59169	0.5
219.03014	1.4
219.12381	100.0
220.12755	5.9
233.04538	0.9
261.04068	1.6
261.08267	0.8
261.13422	10.7
261.22372	1.0
262.13739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.58796	1.7
73.54515	1.1
112.44231	1.2
115.92071	1.2
151.77213	1.2
214.93015	1.4
244.03304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65228	0.4
57.03449	0.5
57.97858	0.4
58.02967	0.4
58.30440	0.4
59.01084	0.8
59.01384	15.9
65.14408	0.4
70.02985	10.2
71.01403	0.7
71.09104	0.8
72.04559	3.7
74.02481	100.0
75.02827	0.7
81.36697	0.4
84.04556	1.0
85.52891	0.4
95.05047	0.6
96.96062	0.4
98.02492	25.4
99.02816	0.8
106.02570	0.4
109.06675	0.4
110.12371	0.4
111.08211	0.9
116.03559	56.2
117.03910	1.2
123.04546	0.6
125.09756	1.5
128.03554	6.5
130.06628	0.5
132.04579	31.2
133.04945	1.4
137.02545	0.6
141.09238	0.7
143.10803	2.8
144.04582	6.2
146.06252	0.5
147.04558	0.7
147.24071	0.4
149.02495	1.2
155.10887	0.7
157.12395	0.9
158.06116	3.2
160.02570	0.5
165.05635	0.5
173.04625	1.0
173.07204	1.2
174.05595	1.4
175.04099	1.0
175.08824	1.4
189.05621	0.4
191.03629	0.7
201.04901	0.9
201.06731	14.6
201.11365	4.1
202.05142	2.2
202.06905	0.8
202.11777	0.4
217.05130	0.5
217.09875	1.1
219.07878	4.0
219.12386	27.7
220.12830	1.3
233.04568	4.3
243.07808	1.1
261.04581	3.9
261.08810	32.0
261.13110	5.8
261.22305	0.7
262.09140	3.0
262.13629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0235
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
54.72299	0.6
59.01370	2.8
63.10846	0.6
63.96240	2.0
64.97031	7.7
71.06208	0.6
71.40578	1.6
72.00912	7.6
74.02500	0.7
78.95917	1.4
79.95743	26.3
80.96527	14.8
87.00890	0.8
92.33708	0.7
93.03477	6.9
95.97627	59.5
96.96027	7.0
96.96986	1.0
106.04277	1.1
119.05049	14.4
120.05471	0.8
121.02966	1.1
132.04604	0.7
133.05360	2.3
134.06145	20.4
135.06490	1.0
146.08221	0.9
148.04016	0.7
163.04031	25.2
164.04327	0.9
178.05142	1.0
180.06688	91.2
181.05127	2.4
181.07013	5.1
198.02361	1.1
214.01837	2.5
218.61546	0.7
219.12418	3.3
242.01361	4.2
260.02338	100.0
261.02863	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	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19538	0.5
58.93834	0.5
59.01379	18.5
69.03455	0.5
71.18885	0.4
80.90678	0.5
97.06654	0.5
110.16194	0.6
125.09683	0.6
127.11349	1.1
137.09743	6.7
155.10805	100.0
156.11128	5.9
171.10289	21.8
172.10663	1.3
181.08769	0.9
189.68661	0.5
199.09775	38.8
200.10118	2.3
217.10814	97.2
218.11160	6.9
229.84363	0.5
259.02515	0.9
259.11838	24.7
260.12219	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	259.0225
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
70.32846	0.9
71.01379	0.8
78.95913	76.8
93.75919	0.3
96.96978	100.0
101.02467	0.6
132.03041	0.7
138.98032	6.2
142.24670	0.3
146.27312	0.3
168.99104	3.5
199.00151	4.0
223.00154	0.8
240.97583	0.4
241.01242	1.8
259.02240	22.4
260.02545	1.4
269.10999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17245	0.3
58.79008	0.4
59.01385	1.0
70.84937	0.7
70.85310	0.8
75.00874	1.0
93.03471	94.9
94.03814	2.9
95.01380	1.4
108.02195	3.7
118.03012	9.7
118.06619	1.5
119.03330	0.5
121.02973	0.9
131.03780	0.8
132.04578	21.8
133.02968	0.9
133.04924	1.0
135.04585	2.5
136.01672	1.7
136.04056	6.5
148.04073	9.5
150.05611	1.7
161.02519	2.0
162.05643	0.5
173.04704	0.8
176.04010	1.4
178.05107	1.3
179.03497	1.5
183.04523	0.7
187.04076	0.4
187.07671	3.6
191.05618	0.5
199.03923	0.4
211.03877	0.5
212.04314	0.8
213.09193	0.4
215.07109	0.8
227.03543	3.6
228.03880	2.0
229.08659	0.5
238.08783	2.6
242.02045	0.6
255.02971	4.8
255.20592	0.7
255.23293	23.8
256.03592	10.4
256.09787	100.0
256.19119	1.2
256.23621	32.7
257.04272	1.5
257.08014	2.4
257.10327	8.6
257.23920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74945	0.4
59.01383	10.0
60.01719	2.4
61.98838	4.9
65.00318	0.5
65.99871	0.5
66.87773	0.4
71.28782	1.0
75.00865	1.5
93.03474	15.7
95.01394	1.0
97.02962	0.5
102.03518	0.6
105.02214	1.8
108.02163	1.4
109.02954	1.7
117.20621	0.5
118.03013	19.9
118.06634	0.7
119.03365	0.7
120.04568	2.8
121.02983	10.1
122.03353	0.8
123.00894	0.8
123.04562	0.5
130.19402	0.5
131.03793	1.0
132.04611	3.2
133.02975	0.7
133.05403	2.4
134.02493	1.0
135.00929	0.6
135.04437	0.5
135.09718	0.5
144.04588	7.1
146.02512	15.9
147.02899	0.9
148.04080	13.7
149.01216	3.7
151.02768	0.8
151.18799	0.5
155.14285	0.5
160.04086	9.2
161.04449	0.6
162.01982	0.6
163.02803	3.1
167.06218	0.5
176.03574	11.2
180.03058	1.5
194.07507	0.5
208.07674	1.1
210.06778	0.5
211.07610	3.0
225.05655	1.0
226.08752	1.7
227.07133	7.1
236.07176	28.8
237.07497	3.8
254.08224	100.0
255.08609	12.2
255.23305	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
60.01719	1.5
61.98832	2.9
62.38874	0.3
65.03983	0.6
69.40273	0.2
70.17313	1.3
75.00896	0.5
93.03473	100.0
93.46180	0.3
94.03807	3.7
108.02209	0.8
118.03018	5.8
119.03362	0.5
120.04608	0.3
121.02974	1.4
132.04602	2.0
134.77287	0.3
148.04053	1.3
160.04070	32.2
161.04384	1.9
200.06625	0.3
200.12445	0.3
235.06448	0.5
236.07198	6.4
237.07521	0.6
254.08224	16.9
255.08687	1.7
255.23314	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	254.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36916	0.2
54.22772	0.3
59.01380	5.8
60.01720	1.7
61.98833	100.0
71.70606	0.5
71.70960	0.3
75.00887	0.6
85.24696	0.3
122.40147	0.2
142.99951	0.7
153.74716	0.3
167.03822	0.3
173.00969	0.5
231.82623	0.3
254.01442	0.3
255.05534	0.6
255.23297	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	253.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69411	0.3
59.01384	100.0
60.01713	1.5
61.98837	2.1
71.01400	1.3
71.10163	0.6
72.45692	0.3
72.99329	0.5
73.02960	0.4
74.99133	0.3
91.86669	0.3
101.02496	0.4
117.02018	0.6
132.83089	0.3
160.11696	0.3
178.01544	0.3
193.03778	0.3
193.07274	1.1
203.89000	0.3
223.79626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1652
Annotation	sch 725432
Peak:m/z	Relative Intensity
58.76319	0.2
59.99441	0.2
67.01896	2.5
68.99825	0.8
69.03460	60.2
70.03780	1.5
71.01402	1.7
71.53982	0.4
74.18022	0.2
79.01922	0.2
87.60529	0.2
89.06178	0.3
95.01408	2.4
97.02965	13.2
98.03318	0.2
132.88484	0.2
153.12898	1.7
155.14444	12.0
156.14792	0.9
171.13866	0.2
179.14436	0.4
183.13881	0.3
195.13893	0.9
205.15938	0.7
207.17531	2.3
223.17012	1.9
224.17262	0.3
251.16521	100.0
252.16846	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	253.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26324	0.6
59.01383	100.0
60.01715	1.1
61.98838	1.7
71.01404	0.7
71.51968	1.1
72.99318	5.7
73.49821	0.6
76.17735	0.7
91.33202	0.6
92.51401	0.6
93.03476	1.2
93.85235	0.5
96.96035	0.8
101.02447	1.0
116.84022	0.6
117.03497	3.2
121.02985	0.6
134.03766	89.4
135.04085	4.5
137.02478	1.7
139.04059	0.7
145.42473	0.6
149.06113	26.8
150.03249	10.0
150.06458	2.1
157.73119	0.7
165.05600	9.4
178.02728	4.6
193.05090	48.1
193.07098	4.1
194.05305	3.0
211.06139	64.3
212.06450	5.1
238.42853	0.7
253.07196	1.7
253.21727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1812
Annotation	CHEBI:70402
Peak:m/z	Relative Intensity
53.00307	0.9
54.01410	0.2
54.18164	0.2
55.16366	0.2
57.03435	0.7
59.01382	1.8
61.98823	0.8
65.99835	0.2
66.03487	2.6
67.01890	1.2
68.01416	3.4
68.05053	0.7
68.99814	1.9
69.03460	15.3
70.02979	3.6
70.03802	0.3
71.01383	0.7
71.20246	0.4
73.02959	0.4
81.02201	1.2
81.80907	0.2
83.05013	0.4
85.02958	0.5
86.74786	0.2
92.05087	0.2
94.02994	6.4
95.01415	0.2
95.03306	0.2
96.00928	1.7
96.04564	13.4
97.02958	0.2
97.04922	0.2
101.02435	0.4
107.03803	0.2
108.02228	0.3
111.00891	0.2
113.02466	0.3
121.02003	0.1
121.05371	0.2
122.02501	15.4
123.02897	0.3
129.01956	0.3
136.04077	0.9
150.05605	0.3
151.11363	0.2
153.12845	1.6
155.14427	3.0
159.02989	0.4
161.04578	0.4
163.00348	0.3
164.07181	0.3
166.15817	0.2
169.16039	0.3
171.13919	0.2
177.16583	0.4
177.96603	0.3
178.99762	0.2
179.14429	16.6
180.14787	1.3
181.16075	1.1
188.77621	0.2
191.05630	0.2
194.15533	0.9
195.13914	0.4
195.17528	1.0
196.17111	0.5
204.17520	0.6
205.15970	0.5
206.00897	0.2
206.15472	0.9
207.13930	1.1
207.17604	0.2
209.15482	0.5
220.16997	0.4
222.15022	2.3
222.18500	0.8
223.17046	14.8
224.16618	2.2
225.16942	0.2
225.49512	0.2
232.13332	0.4
232.17012	0.6
234.15009	0.2
235.15723	0.2
250.14581	2.8
250.18118	100.0
251.09122	0.3
251.18510	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	250.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48295	1.4
58.02978	23.5
59.01400	1.9
65.96656	1.4
69.81113	4.9
69.81541	6.1
70.02995	12.1
72.00930	4.5
78.68304	1.3
88.44688	1.5
88.89239	1.4
91.05576	8.0
92.11421	1.6
101.67139	1.4
147.04556	38.0
148.04926	2.4
164.07201	100.0
165.07559	8.4
206.08237	80.4
207.08604	6.1
210.16248	1.6
214.06412	1.6
250.14629	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	250.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38174	1.8
51.68904	1.7
58.02977	24.0
66.55579	1.9
70.02987	11.4
71.70383	2.1
71.70700	2.2
72.00919	6.6
88.19148	2.0
91.05552	9.3
116.30802	1.7
147.04541	38.9
164.07182	100.0
165.07585	5.0
206.08237	88.0
206.10196	4.2
207.08589	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	249.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
61.92859	0.3
64.83871	0.4
68.99828	0.4
71.40459	0.4
71.40789	0.6
78.95908	0.8
85.65527	0.3
87.00845	0.6
88.04045	0.6
93.03480	0.5
96.96034	1.1
106.04235	0.7
119.05386	10.2
120.02199	1.2
120.05679	0.3
132.03009	1.3
133.02968	0.7
134.03770	7.1
161.02493	2.3
162.03255	100.0
163.03583	7.1
177.05603	51.1
178.05948	4.1
189.05922	0.6
190.02745	13.3
191.03098	1.0
205.05083	9.2
206.05376	0.7
207.07002	1.8
249.04085	3.5
249.08012	3.7
250.14497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70634	1.5
51.30779	1.5
52.21450	1.8
59.01379	63.9
69.59891	15.6
71.01370	1.7
71.05019	3.0
79.46715	1.9
87.42020	1.9
91.76347	1.7
99.04543	9.9
99.08190	2.5
99.63788	2.1
103.00376	11.2
115.04044	6.9
117.05592	6.5
143.07167	3.5
147.15121	1.8
155.58473	2.1
161.08221	100.0
162.08563	5.3
190.79764	2.4
247.09738	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	247.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63380	1.9
58.02977	1.7
59.01381	74.8
71.05025	3.1
71.28812	4.4
87.04507	2.2
92.12295	1.9
93.99741	2.0
96.96042	3.0
98.95612	13.0
98.96526	2.3
99.04518	13.3
99.08178	2.7
103.00403	13.6
113.98092	1.9
115.04034	8.2
115.07690	2.2
117.05582	7.0
143.07155	4.0
155.79175	2.1
161.08218	100.0
162.08530	6.8
203.09239	3.4
247.09711	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	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01380	44.1
59.38791	0.3
59.60106	0.3
60.01706	0.4
61.98838	0.6
62.76344	0.3
70.43491	0.7
70.43884	0.8
72.99312	0.9
74.02470	1.0
75.32385	0.3
92.57122	0.3
96.96017	0.5
98.19847	0.3
113.09712	1.3
116.05073	1.2
120.99675	2.2
125.09695	0.9
127.11296	1.5
130.06680	0.7
132.82994	0.4
139.11299	1.1
141.09203	0.7
142.06644	26.6
155.10797	2.6
157.12357	18.0
157.13676	0.7
158.06123	2.6
158.12669	1.2
165.09149	0.4
184.85561	0.3
185.10188	0.8
185.11845	15.7
186.05630	6.8
186.12209	0.9
201.11420	0.5
203.12891	100.0
204.06677	10.7
204.13237	8.4
245.00853	0.5
245.04730	2.2
245.09683	0.6
245.13910	7.9
246.04761	0.3
246.14259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0433
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
59.01386	10.7
61.95335	1.0
70.16856	1.1
70.76871	3.2
71.01385	3.7
72.91015	1.0
78.95916	79.7
88.98807	6.3
89.02468	4.2
92.92801	1.0
92.96005	1.3
94.16345	0.8
94.92531	4.7
96.96983	35.2
101.02473	8.4
108.90222	100.0
113.02469	1.1
117.00455	1.7
119.03529	9.3
132.03145	1.3
144.59892	1.0
146.04726	0.9
146.93425	2.6
152.89165	1.1
152.99614	57.4
153.99945	1.2
159.20313	1.0
170.90244	9.0
170.97977	6.1
171.00667	25.7
172.01054	1.4
209.06755	4.8
245.04337	69.0
246.04680	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96693	3.6
59.01389	28.4
61.98827	46.9
71.01402	13.3
72.87344	3.4
72.99309	4.8
81.12531	3.9
83.15376	4.1
97.89538	3.8
99.92615	9.4
115.92052	4.6
116.05094	4.5
120.17440	4.0
141.12921	6.2
142.06664	67.1
153.12877	6.2
155.14435	87.7
158.06099	7.7
171.13910	44.9
182.96994	4.3
183.13913	85.7
184.14288	4.8
185.11842	6.2
186.05638	13.9
199.13411	24.0
199.90112	6.3
201.05612	4.1
201.13071	6.0
201.14958	100.0
202.15268	8.1
203.12849	8.3
204.06668	35.1
229.50739	7.4
236.59392	4.2
245.00873	8.4
245.04156	4.8
245.08243	16.3
245.13890	66.2
245.89381	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	245.0126
Annotation	3-(3-sulfooxyphenyl)propanoic Acid
Peak:m/z	Relative Intensity
51.39118	0.2
55.91270	0.2
59.01382	0.3
69.92126	1.4
72.99313	2.1
73.20124	0.2
79.95750	0.4
84.90910	0.2
84.98000	0.2
91.05532	0.2
96.96026	100.0
97.95964	0.6
98.54314	0.2
100.12837	0.2
119.05044	2.9
121.02811	0.3
142.06657	0.4
147.04552	10.4
148.04889	0.7
159.04500	0.2
165.05595	14.9
166.05957	1.2
173.06087	0.2
204.06627	0.2
245.01250	21.6
245.08188	1.3
246.01599	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1966
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
59.01381	100.0
60.01706	1.1
61.98827	4.6
65.99436	0.7
70.71680	2.2
96.71574	0.6
99.92611	4.0
111.00931	1.3
121.66519	0.7
183.75414	0.7
194.76761	0.8
197.19077	0.7
243.19641	51.4
244.19936	5.9
255.14421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63071	0.5
55.03972	0.5
59.01393	0.8
63.96234	1.2
64.97025	5.6
69.64692	0.5
72.00914	11.4
79.95267	1.2
79.95742	24.0
80.96526	14.0
91.05546	0.7
95.97626	57.7
118.06649	29.0
119.06941	1.2
135.04538	0.7
147.04547	38.5
148.04869	2.7
158.49475	0.4
162.05630	0.6
164.07187	87.5
165.07513	6.7
171.85205	0.5
182.02702	0.6
185.51302	0.5
198.02286	2.3
226.01834	4.0
244.02843	100.0
245.03113	7.5
245.08186	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.16
Annotation	TRIDECANEDIOIC ACID
Peak:m/z	Relative Intensity
51.48877	0.6
52.37719	0.6
55.41261	0.7
59.01381	1.7
61.98834	25.9
63.99259	0.7
67.01889	1.7
69.13946	0.7
70.22385	2.5
71.00690	0.6
87.14577	0.7
92.82088	0.6
97.90637	0.6
98.00099	1.9
99.92591	13.3
109.03026	0.6
110.02439	0.8
111.00932	2.3
115.92110	1.1
123.17188	0.6
124.04029	1.1
135.62833	0.6
154.99858	1.0
173.92601	1.2
181.15999	3.8
184.63251	0.6
190.60416	0.6
197.90662	1.7
199.17052	99.3
200.17387	10.0
225.11520	0.8
225.14978	9.0
226.15215	0.8
243.02859	1.8
243.16011	100.0
243.89883	2.3
244.16328	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03193	0.9
55.54820	1.1
57.03429	1.8
59.01381	56.8
59.61986	0.8
60.01707	1.3
61.98836	7.4
67.01882	1.3
69.03448	1.5
70.59689	1.0
71.05033	1.3
72.99304	6.2
74.01338	0.9
78.34016	0.9
83.05033	2.8
93.03474	1.6
95.01401	8.3
95.05036	1.1
96.01752	2.9
98.20667	2.0
99.49560	0.9
107.08648	1.2
109.93327	1.0
110.02532	1.5
111.00899	1.9
111.04544	39.1
112.04890	2.2
121.10233	5.3
125.09743	3.7
135.04533	2.2
137.09709	2.1
139.11278	2.5
143.05020	1.9
155.10776	3.6
165.09227	2.6
171.04523	2.7
173.02354	1.5
179.03552	1.1
183.10287	49.0
184.10628	4.0
187.04088	1.9
198.03322	1.1
199.04037	8.1
201.01926	7.5
201.11348	100.0
202.11667	7.2
215.03508	2.4
216.02974	1.9
225.11293	2.1
229.55823	1.3
232.97162	1.0
242.01978	1.7
243.02975	54.2
243.06783	2.7
243.08644	1.8
243.12378	12.5
243.16048	1.7
244.03210	7.6
244.09805	1.2
244.12527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03771	0.4
57.03458	1.2
59.01394	3.9
61.98838	25.0
68.99815	0.9
70.26960	1.3
70.27380	1.3
83.36340	0.5
87.00878	0.8
97.93185	0.6
98.03756	4.2
99.92691	0.5
103.92043	1.1
139.01781	0.5
150.88199	0.5
151.11311	0.6
153.12878	5.3
155.14447	1.1
169.15994	2.8
171.13942	1.6
179.14449	1.4
181.07346	0.7
184.00217	2.5
197.15495	100.0
198.15834	10.7
212.41055	0.5
241.05074	0.7
241.07167	3.2
241.10860	0.8
241.14461	18.2
241.18030	4.3
241.21759	1.9
241.57266	0.5
242.07021	0.5
242.14806	1.4
242.17741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71034	0.6
56.27673	0.5
57.03447	1.0
59.01382	41.2
61.98835	11.7
69.03468	2.6
71.01357	0.7
72.99336	3.1
93.03491	1.6
107.08687	16.2
108.09056	1.0
111.04559	3.5
119.08716	1.1
123.08179	2.0
133.06606	1.0
151.07668	2.2
153.09174	1.1
163.07693	1.3
169.08707	1.6
181.07161	1.2
181.08717	13.2
182.09036	1.1
197.11845	0.9
199.09775	100.0
200.10109	8.7
229.36197	0.7
241.10820	4.6
241.14453	1.0
241.21797	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	241.1084
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
56.94487	0.6
57.03442	1.6
59.01384	44.7
61.98835	9.7
69.03466	3.6
72.99316	4.0
83.05032	1.0
89.81339	0.5
93.03457	1.8
105.64035	0.7
107.08677	15.0
108.09063	0.8
111.04548	2.3
119.08675	1.7
123.08209	1.6
126.43703	0.6
133.06647	0.8
135.08165	0.7
136.15988	0.6
137.09764	0.8
142.06673	0.8
151.07661	2.0
153.09206	1.9
163.07654	1.8
169.08755	1.6
181.08727	14.1
187.54227	0.6
197.11868	0.7
199.09784	100.0
200.10110	8.2
241.10803	3.8
241.14523	1.0
241.18076	1.0
241.21783	1.6
264.13385	0.7
264.16788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
59.71527	0.2
61.98837	0.2
71.42300	0.2
71.42643	0.3
87.00890	0.4
90.03506	0.2
91.01927	0.2
92.02708	0.3
93.03472	4.0
95.01418	0.3
102.03523	0.6
104.05092	1.2
108.02184	1.5
118.03008	38.8
118.06647	3.0
119.02605	0.3
119.03345	2.4
119.07041	0.2
123.00968	0.2
131.02800	0.3
131.03793	6.7
132.04575	100.0
133.04924	6.7
134.02538	0.2
161.04547	0.5
179.05656	1.4
209.06131	0.3
211.07623	0.3
217.98148	0.2
223.02902	0.2
238.08736	53.6
239.09074	8.0
239.11525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.27790	2.6
60.99312	4.1
65.49467	2.6
69.90130	17.0
71.01386	11.5
74.99409	4.4
75.00884	11.2
78.95890	4.0
85.02957	10.1
87.00886	41.2
88.98825	39.2
89.02444	6.5
92.93343	4.1
96.97006	3.1
99.00922	8.0
99.49258	2.5
101.02460	7.1
103.71712	2.8
104.03548	7.6
105.01958	23.8
107.76438	2.7
110.89937	7.5
111.04511	3.2
113.02431	2.9
117.01927	4.2
121.06838	2.6
125.02463	4.7
128.96832	81.1
129.96938	9.5
131.03517	3.4
141.01985	3.6
159.03094	2.7
161.04613	14.6
162.92116	3.5
165.04065	92.7
165.05461	5.3
166.04449	2.9
179.05627	79.9
180.05975	6.0
184.77695	2.5
217.54546	2.6
221.06624	13.2
221.28151	2.4
225.02147	2.5
238.90852	17.3
239.07716	15.6
239.90950	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	238.0875
Annotation	diarylpropionitrile
Peak:m/z	Relative Intensity
52.61296	0.3
52.72168	0.4
53.06033	0.4
53.11006	0.3
59.01382	2.5
61.98851	0.6
71.69017	0.5
76.90806	0.4
85.40082	0.4
87.00889	0.5
93.03477	1.4
102.03513	0.6
107.05050	2.8
109.02968	0.5
117.03504	1.4
118.03034	0.7
120.04568	1.5
123.04549	0.6
131.03812	2.9
132.04588	8.6
133.05373	32.7
134.05714	2.3
134.56174	0.4
135.04562	3.8
144.04596	1.8
146.02507	1.1
160.04073	8.2
161.04503	1.0
179.05669	2.0
182.18027	0.5
207.36597	0.4
211.07668	6.2
212.08063	0.7
237.07967	1.6
238.08745	100.0
239.09091	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	238.0875
Annotation	diarylpropionitrile
Peak:m/z	Relative Intensity
53.80085	0.3
54.48480	0.3
59.01383	20.1
59.81894	0.3
61.98826	1.8
71.01383	1.0
73.02956	0.3
85.02966	1.0
87.00903	2.4
89.02455	1.0
93.03458	1.5
95.43157	0.2
97.02973	0.4
99.00884	0.6
101.02443	0.8
102.03506	0.5
107.05045	2.2
108.02175	0.4
109.02975	1.3
113.02489	0.4
117.01975	0.5
117.03480	1.1
118.03024	6.8
118.06664	0.5
118.44229	0.3
119.03336	0.5
120.04559	1.2
121.02943	0.6
123.04568	0.8
125.02491	0.5
131.03792	6.5
132.04579	26.5
133.02977	0.8
133.05380	22.2
134.05666	1.1
135.04544	2.4
138.62367	0.3
141.01945	0.3
144.04619	1.4
146.02524	1.8
147.02769	0.4
159.03128	0.5
160.04073	10.4
161.04553	3.2
179.05626	14.2
193.06516	0.4
195.13983	0.3
209.06087	1.2
211.07649	8.7
212.08015	1.2
223.02821	0.5
237.07936	1.5
238.08739	100.0
239.09094	13.6
239.11823	0.3
239.12837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.8
61.98836	0.3
65.99864	0.2
66.90478	0.2
71.01377	0.9
71.71915	0.2
85.02990	0.5
87.00868	1.5
89.02474	0.8
93.03466	1.7
94.03012	0.2
95.05054	0.2
97.02966	0.3
98.23602	0.2
99.00896	0.4
101.02459	0.5
102.03542	0.5
106.04249	0.4
107.05056	2.9
108.02180	0.2
109.02981	0.7
117.01935	0.2
117.03494	1.1
118.03031	0.8
120.04563	1.7
123.04569	0.7
130.02954	0.2
131.03783	3.1
132.04591	7.1
133.05365	37.5
134.05714	2.2
135.04558	3.9
135.05391	0.1
136.04839	0.2
144.04576	2.2
146.02513	1.1
147.02951	0.2
159.03175	0.4
160.04071	8.9
161.04523	2.2
163.69615	0.2
179.05638	8.5
182.07343	0.2
188.92043	0.2
193.06598	0.7
194.06270	0.2
195.08237	0.2
196.07712	0.2
209.06055	0.9
210.06708	0.2
211.07657	6.1
212.08014	0.9
220.07635	0.3
223.02815	0.4
228.60310	0.2
229.50423	0.2
237.07962	1.8
238.08737	100.0
239.09081	12.7
239.11569	0.3
239.12820	0.4
254.17502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0621
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
54.16916	0.2
59.01387	0.3
59.10726	0.2
61.98831	0.3
65.46631	0.2
65.78001	0.2
70.21037	0.9
71.01369	0.2
74.65929	0.2
74.99120	0.2
76.97002	3.1
76.97392	0.2
86.72950	0.2
87.00881	0.3
89.02466	0.2
94.98082	0.7
118.95446	0.2
118.96274	0.4
120.93336	0.2
120.94211	0.5
124.50227	0.2
129.01994	0.3
136.97339	6.1
137.97272	0.4
138.95299	1.1
152.96832	8.2
153.96822	0.6
154.94780	0.4
161.06310	0.3
170.94304	0.2
170.97873	0.6
199.13989	0.2
201.04131	1.6
202.04091	0.2
203.02040	0.5
217.03554	0.7
219.05145	100.0
220.05244	12.4
220.08455	0.2
221.03067	4.7
221.05263	0.3
222.03154	0.6
237.06195	46.1
238.06320	6.4
238.08554	0.3
239.04126	0.3
240.11940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0616
Annotation	3-Deoxy-D-manno-octulosonate
Peak:m/z	Relative Intensity
52.65415	0.3
54.15366	0.3
57.03439	1.5
58.99601	1.2
59.01381	6.3
61.98831	4.8
65.59052	0.4
69.03481	0.4
71.01388	2.9
71.70372	0.7
72.99318	1.3
73.02948	0.8
74.02502	0.4
74.99097	0.7
75.00877	3.8
78.95905	2.9
79.95728	0.5
80.96528	0.6
83.05053	0.5
85.02969	3.2
87.00887	100.0
88.01212	2.0
89.00677	1.3
89.02457	1.2
97.02954	0.4
99.00924	0.6
101.02470	1.2
105.75897	0.4
107.01746	8.0
111.00890	0.8
113.02428	0.6
115.00381	1.1
118.00977	0.7
120.99686	2.7
129.01964	14.2
130.02264	0.5
133.03255	0.6
133.66786	0.4
147.03000	0.4
149.02733	0.7
164.89571	17.8
177.04112	0.7
191.24440	0.3
193.03589	0.5
195.03342	1.5
213.76894	0.4
219.05106	0.7
237.04390	0.7
237.06189	8.0
238.06554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0948
Annotation	Polyprenyl phosphate
Peak:m/z	Relative Intensity
53.82341	0.4
57.03459	0.5
59.01381	54.7
60.01714	0.9
63.93755	0.4
64.76736	0.4
67.01888	2.0
70.18982	1.0
70.19390	1.1
71.01387	1.7
73.02946	0.4
76.10224	0.4
78.95911	100.0
86.01167	0.4
93.03471	11.7
94.03815	0.9
96.96976	74.4
99.00897	0.7
111.00903	1.3
111.04540	1.8
121.20797	0.5
129.01970	1.1
152.98289	0.6
173.04579	12.1
174.04948	1.0
233.04617	1.3
233.09505	66.7
233.15482	27.4
234.09869	6.0
234.15807	3.3
248.53453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0718
Annotation	2,3-Bis(p-hydroxyphenyl)acrylonitrile
Peak:m/z	Relative Intensity
55.62613	0.3
61.98838	4.2
69.03468	1.1
70.84205	0.2
71.01398	0.6
71.70022	0.2
71.70506	0.3
73.97939	0.2
75.00882	0.8
83.01400	0.7
85.02952	0.8
94.02999	0.6
96.96066	0.5
96.97525	0.2
113.02465	0.3
118.03015	0.6
128.94707	0.3
129.01984	0.3
131.03795	100.0
132.04156	6.4
138.03244	0.4
164.89581	0.3
169.65334	0.3
179.10817	0.5
181.16013	2.3
192.06642	0.3
193.16002	0.7
207.06827	0.4
208.07689	0.9
209.15475	2.1
218.99481	0.3
235.06378	0.6
235.13416	0.5
236.07188	61.9
236.69438	0.3
237.07556	7.9
237.11365	0.6
237.14970	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	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69449	1.2
55.01892	1.5
57.03451	13.7
59.01383	100.0
60.01711	1.6
62.71674	1.3
64.14472	1.3
67.01881	6.5
68.99813	1.5
71.01390	51.0
71.45762	3.0
72.53123	1.4
73.02965	7.4
78.95905	4.1
83.01395	11.4
85.02972	10.5
87.00891	3.7
87.92537	14.3
88.92590	3.7
93.03476	8.3
96.96984	5.4
96.99389	1.4
99.00893	24.7
99.04504	1.5
101.02458	4.0
103.92038	4.0
105.93611	3.4
106.93627	1.5
111.00877	17.6
111.04545	3.3
123.94661	4.5
124.94686	1.6
129.01959	32.4
130.02292	1.8
141.17500	1.3
145.01439	2.8
160.89304	26.6
160.91821	3.0
161.89445	11.2
173.00957	5.0
173.04591	12.2
193.28914	1.4
233.06671	10.7
233.15440	5.7
249.73068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.8949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26060	0.3
56.00404	0.4
57.03446	1.3
59.01384	10.4
63.82715	0.4
64.21874	0.3
66.97793	0.5
67.01891	0.6
69.58673	0.4
71.01392	5.6
71.10374	0.8
71.10699	0.5
73.02950	0.8
78.95907	1.0
83.01403	1.3
85.02943	1.2
87.00885	0.5
87.92545	100.0
88.92593	1.6
93.03468	0.5
96.04568	0.8
96.96972	2.2
99.00876	3.3
101.02529	0.4
103.92047	25.1
104.92199	0.4
104.92831	2.6
105.93612	17.9
106.93674	0.4
106.94414	0.4
111.00912	2.3
119.91552	2.1
123.94669	33.2
124.94731	0.8
129.01965	3.2
143.91560	0.5
149.92578	0.6
159.89426	5.4
160.89322	4.6
160.91930	0.4
173.01030	0.6
173.04591	1.0
177.92065	1.9
179.77908	0.4
183.73119	0.4
186.04059	0.6
187.90526	5.9
203.55330	0.4
205.99911	0.5
214.03563	0.6
231.89511	0.7
233.06535	0.6
233.15471	0.7
241.11423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05319	1.0
57.03452	14.0
59.01384	100.0
60.01725	1.6
60.99319	1.6
67.01893	5.2
68.99821	3.2
71.01389	48.8
71.39381	2.7
72.01711	1.4
72.99315	1.9
73.02949	10.0
78.95914	8.6
83.01398	14.7
85.02963	12.2
87.00896	4.1
87.92546	16.1
88.92593	6.2
93.03465	6.5
96.96019	2.7
96.96979	12.5
99.00895	24.1
101.02468	5.1
103.92062	4.7
104.92804	1.9
105.93612	3.1
111.00903	22.0
111.04532	2.9
112.89064	1.1
123.94664	4.2
124.94725	1.9
129.01056	2.3
129.01970	31.4
130.02339	2.4
145.01447	3.2
155.03555	1.9
159.89456	1.1
160.89297	23.2
160.91774	3.2
161.89427	11.6
173.00964	4.9
173.04576	9.8
186.73186	1.2
233.03104	1.5
233.06657	9.0
233.15427	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	231.1603
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
50.05666	0.3
59.01381	100.0
60.01724	1.9
67.96756	0.3
70.13377	0.3
71.05036	0.9
71.69157	0.5
85.06590	1.3
87.92571	0.5
90.48143	0.3
97.06602	0.4
116.78793	0.3
123.94688	0.3
148.76701	0.3
153.12822	0.3
169.12367	0.6
171.13913	7.3
172.14235	0.7
213.14998	1.0
219.38997	0.3
231.16020	49.7
232.16373	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	231.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81923	0.3
53.17480	0.3
59.01383	100.0
59.10458	0.2
60.01714	2.0
71.40934	0.6
80.79834	0.2
83.05050	0.7
85.06599	2.0
87.92560	1.0
99.08179	2.1
103.92055	0.5
105.23911	0.3
105.93532	0.3
123.94669	0.5
141.12898	0.9
153.12935	0.3
169.12369	0.5
171.13922	10.0
172.14230	0.7
213.15005	1.7
231.16020	47.5
232.16344	5.7
248.07486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01383	100.0
60.01712	1.7
60.69630	0.2
63.82190	0.3
70.85262	0.8
70.85619	0.3
71.05033	0.5
76.17667	0.3
84.04561	0.5
87.92556	1.2
105.75480	0.3
123.94701	0.7
136.29312	0.3
167.14493	0.5
169.12373	0.5
171.13934	5.6
172.14314	0.4
175.04025	0.3
185.15591	0.4
188.10866	0.5
203.03517	0.8
213.14946	0.8
231.02979	0.6
231.16029	50.1
232.16368	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	229.181
Annotation	13-Hydroxytridecanoic acid
Peak:m/z	Relative Intensity
55.12346	0.4
59.01381	100.0
60.01724	2.0
60.99326	0.5
62.94339	0.4
69.57966	3.9
70.28458	0.4
99.92582	0.6
144.04776	0.5
183.17557	1.1
229.18106	34.8
230.18449	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	230.0128
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
58.02965	1.2
59.01382	4.3
66.03494	1.9
71.21464	1.9
71.21797	0.9
73.01176	7.5
73.02930	1.2
75.00874	1.1
78.95895	0.9
80.05081	2.1
82.03007	6.1
85.93002	7.2
87.00919	1.1
87.04517	0.9
96.04565	29.1
97.04868	1.1
98.99124	5.5
99.04530	1.5
99.92606	1.1
101.92479	1.5
108.04571	30.3
109.02907	1.5
109.04893	1.6
114.00212	84.8
115.00547	2.0
121.95158	5.0
126.09292	1.3
130.08746	1.7
142.03345	100.0
142.08766	1.2
143.03661	5.8
151.03952	1.1
158.89352	1.6
172.53482	0.8
186.02312	39.0
187.02556	3.7
187.06194	1.7
187.10986	1.5
188.09381	5.0
205.99014	1.1
230.01285	92.4
231.01443	7.6
231.06824	1.1
231.08791	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.09967	1.3
52.94014	1.4
57.03446	2.5
59.01382	100.0
60.01719	1.7
70.76924	1.3
70.86555	4.4
72.99304	1.9
75.00845	1.8
85.06629	2.9
94.85709	1.4
97.06615	2.1
99.02776	3.2
99.92630	7.5
109.19304	1.8
111.00905	1.5
115.05830	1.4
124.34962	1.4
129.09253	3.6
156.89536	2.4
157.06627	4.3
167.10748	1.6
167.14429	2.4
179.38541	1.7
183.13940	2.4
185.11821	2.0
185.15475	5.9
186.05595	1.9
200.68947	1.4
201.05635	3.3
229.05090	3.4
229.08777	2.4
229.10768	4.5
229.14476	37.7
230.04808	1.6
230.08006	1.8
230.14980	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	229.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99092	0.3
56.55443	0.4
58.87424	0.3
59.01379	1.0
61.98862	0.4
72.99326	1.0
74.74742	0.3
75.00882	100.0
76.01234	1.7
85.03841	0.3
98.20586	0.7
99.92592	2.0
100.92586	0.3
105.07172	0.3
115.92129	0.4
116.92870	1.3
129.18649	0.3
144.80524	0.3
171.13931	41.0
172.14262	2.9
179.67661	0.4
210.87843	0.3
229.14378	2.6
229.18097	0.6
230.15414	0.5
246.04861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.012
Annotation	CHEBI:40438
Peak:m/z	Relative Intensity
59.05685	1.5
61.75850	1.6
71.01384	3.7
71.68800	3.5
72.99356	1.8
73.02950	4.7
74.16103	1.5
78.95915	86.2
83.01379	2.8
85.02979	2.8
85.93011	15.9
87.00906	20.5
88.98814	8.6
92.92815	16.0
93.03470	4.9
96.96980	100.0
99.00883	4.5
101.92505	7.1
103.94086	3.9
115.00397	17.9
117.01929	3.0
121.95142	16.4
127.00402	2.4
132.03050	3.3
138.98030	11.3
147.74916	1.8
148.74986	1.8
149.65569	1.5
152.95993	38.7
154.91646	11.2
154.92783	2.3
155.91563	2.1
156.89536	3.4
171.02985	1.7
173.04510	2.9
175.02592	1.8
182.97031	9.6
191.05634	8.0
211.00237	3.6
229.01199	11.3
230.06787	2.7
247.02232	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	228.0515
Annotation	4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Peak:m/z	Relative Intensity
52.17925	0.6
57.03472	0.7
58.43974	0.6
59.01385	2.3
66.91872	0.6
71.01414	0.7
78.95911	2.3
80.05058	3.6
81.03438	0.8
82.02959	0.8
83.01408	0.9
85.02935	0.6
92.05069	6.8
94.06631	19.7
95.06947	1.2
96.04563	1.5
96.96976	3.3
98.02485	0.9
99.00927	1.1
99.92606	1.9
107.03783	4.4
108.04584	3.0
110.06151	1.1
111.00892	1.2
112.04045	0.8
112.07674	0.7
112.98847	1.8
113.06146	0.7
113.99167	0.9
120.04544	4.5
122.06138	100.0
123.06480	4.9
124.04071	1.1
131.71848	0.7
138.05638	3.2
140.07196	5.2
156.89462	2.3
166.05115	64.9
167.05499	5.0
173.00954	0.9
184.06171	10.7
210.04131	4.1
211.04349	1.1
228.05141	38.5
228.08675	1.3
228.20297	0.7
229.05382	3.1
229.10744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1654
Annotation	13-Hydroxy-2-tridecenoic acid
Peak:m/z	Relative Intensity
57.03470	0.4
59.01367	0.5
61.98844	0.3
70.32344	0.8
70.32770	0.5
70.72074	0.2
71.05025	23.8
72.05370	0.9
81.03467	0.4
83.05038	3.3
95.01411	0.4
97.02973	0.6
97.17803	0.3
98.20527	0.4
99.28383	0.2
99.92599	1.2
111.00871	0.3
115.92133	0.3
139.11314	0.5
146.54596	0.3
153.12883	0.6
154.99944	0.2
155.14441	4.0
156.14722	0.3
165.12885	0.6
177.10970	0.2
181.16002	4.8
182.16362	0.4
183.14047	1.1
183.17558	48.2
184.17911	4.5
186.96155	0.3
188.94278	0.3
209.15477	10.5
210.15842	1.3
227.16536	100.0
227.20212	2.4
228.16866	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	227.1654
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
56.77560	0.7
57.03444	2.6
59.01384	1.0
70.73246	2.9
71.01418	0.9
99.92593	1.8
105.27940	0.8
110.67661	0.7
119.33627	0.8
125.02400	0.9
160.57768	0.8
183.13921	3.3
183.17615	4.8
199.17039	2.9
216.06288	0.8
223.04271	0.8
227.12859	2.7
227.16539	100.0
227.19791	5.0
228.16870	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	225.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28208	0.2
56.02059	0.2
64.23328	0.2
69.99174	1.1
101.26547	0.2
142.79633	0.2
167.00009	0.2
181.16028	1.1
207.17538	0.7
225.18610	100.0
226.18947	12.4
226.21228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1862
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
51.72339	0.2
57.03436	0.3
62.80298	0.2
71.01390	0.3
71.69849	0.5
73.88082	0.2
181.16008	1.1
183.17657	0.3
207.17482	0.4
225.18610	100.0
226.18945	13.3
244.80232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.98949	0.3
57.03438	0.3
59.01379	0.7
69.42049	1.3
69.42479	1.6
71.01378	0.3
71.05022	0.8
80.02683	2.1
81.03050	0.4
81.03448	1.7
81.32925	0.3
83.01392	0.7
83.05030	6.7
84.02175	3.4
86.31724	0.3
95.05064	1.3
97.06573	0.5
98.20664	0.6
111.08177	0.3
123.08177	0.4
125.06115	0.9
125.09708	0.4
127.47806	0.3
135.08163	1.0
139.11339	0.4
147.11842	0.3
163.11307	5.7
164.11644	0.3
165.12868	4.2
181.12352	0.8
183.13931	1.0
191.10765	1.1
209.11842	100.0
210.12170	11.0
227.03534	0.7
227.07123	3.1
227.09009	0.3
227.12856	4.0
227.16412	0.4
227.20149	1.7
228.07449	0.4
228.13272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1498
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.85721	0.6
53.48228	0.8
55.01873	1.9
69.03454	5.7
71.05022	11.8
71.47163	1.3
75.01436	0.7
80.02698	1.2
81.03471	1.0
83.05035	1.2
85.74535	0.8
96.94253	0.7
123.54942	0.7
136.00203	0.7
179.14441	2.9
181.15997	100.0
182.16331	11.2
196.25145	0.7
216.89613	0.8
225.14990	37.5
225.18497	14.3
226.15318	4.6
226.18959	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	225.1498
Annotation	Annuionone E
Peak:m/z	Relative Intensity
50.28737	0.3
68.99821	5.0
71.01389	19.2
71.02040	0.8
72.01727	0.5
72.40619	0.3
98.00114	0.3
124.62195	0.3
127.38477	0.3
153.12892	0.9
165.96524	0.3
171.13943	0.6
179.14436	11.2
180.14796	1.3
195.13918	2.2
197.15514	4.4
198.15779	0.6
225.14975	100.0
225.18611	2.7
226.15300	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	225.1862
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
59.01377	0.4
61.98838	1.0
61.99094	0.2
62.08566	0.1
65.00323	0.4
65.92796	0.1
68.11481	0.2
68.99825	0.4
69.03453	0.2
69.78233	1.3
71.01363	0.2
78.26115	0.2
83.04993	0.2
92.31174	0.2
93.03471	0.9
126.90540	0.3
137.02504	0.2
153.12938	0.4
167.78021	0.2
179.14456	0.4
179.17218	0.2
181.15976	1.9
182.16370	0.5
183.17580	0.5
195.03105	0.2
197.15504	0.4
207.17546	0.7
220.22667	0.2
224.90569	0.3
225.00348	0.3
225.14986	2.5
225.18613	100.0
225.92680	0.2
226.18961	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	225.1498
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01851	2.2
57.03439	0.9
57.38713	0.6
59.01355	2.2
61.98838	7.9
65.00294	2.0
68.99807	0.8
69.03465	3.5
71.01361	1.9
71.04686	0.7
71.05031	10.4
81.03459	1.3
83.05022	1.7
93.03477	4.7
97.06569	0.9
105.77885	0.5
109.02926	0.9
126.90500	1.4
136.98834	1.1
137.02461	1.9
153.12877	3.0
163.11295	0.6
165.01936	0.9
169.16020	1.8
179.14423	3.0
181.01436	0.8
181.16006	100.0
182.01041	0.6
182.16338	9.0
195.03038	0.8
197.11908	0.6
197.15402	1.2
206.99376	1.5
207.10138	0.7
207.17590	1.1
210.05347	0.8
224.90584	2.4
225.00479	1.9
225.07695	1.1
225.11627	2.9
225.15009	25.7
225.18558	24.0
225.90646	0.6
225.92555	2.8
226.15392	3.5
226.18988	2.4
229.23732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1657
Annotation	Adalinine
Peak:m/z	Relative Intensity
57.03453	4.3
59.01394	6.1
60.01719	1.2
61.98841	4.8
65.00336	2.1
65.99847	1.0
68.01420	31.8
68.99825	1.0
69.40533	7.7
70.02979	5.3
71.01386	2.6
85.02988	0.9
93.03486	4.5
109.02985	1.3
112.28770	0.7
126.90524	2.4
136.98720	0.8
137.02446	3.0
153.01891	0.7
153.12881	7.2
155.14445	13.3
156.14801	1.5
163.11302	1.5
165.01967	1.4
169.15997	6.0
178.16043	0.8
179.14426	2.6
181.01469	1.1
181.04996	0.9
181.15970	3.3
194.15495	3.2
195.02986	1.0
196.17079	24.1
197.11780	1.8
197.15453	6.4
197.17403	3.0
206.99361	1.9
207.10294	0.9
210.05252	0.9
223.98442	0.7
224.02838	0.9
224.16570	100.0
224.90527	2.4
225.00352	2.3
225.04034	1.2
225.07631	1.8
225.11349	3.5
225.14928	10.9
225.16873	8.8
225.18678	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	225.1135
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
57.03456	1.0
59.01384	73.2
60.01723	1.5
61.98835	2.5
63.12029	0.5
65.00326	0.5
69.03454	1.5
71.01389	1.0
71.05087	0.6
71.13704	1.1
72.99322	4.1
81.03471	1.0
83.05059	1.7
85.02939	0.9
93.03481	2.2
95.01393	0.5
100.75735	0.5
106.79539	0.5
108.05790	0.5
109.02983	0.6
119.08711	1.5
121.10259	27.6
122.10596	2.1
126.90514	1.5
136.98895	0.6
137.02490	1.9
137.09746	19.4
138.02063	0.7
138.10153	1.2
141.32965	0.5
147.08188	0.6
153.12895	3.6
154.01450	0.5
163.00375	0.6
163.11333	0.7
165.01999	0.6
165.09235	26.5
166.09595	1.9
170.48711	0.5
171.13919	0.7
181.01453	0.6
181.08774	0.7
181.12396	0.9
183.10289	100.0
184.10617	7.9
195.02991	0.9
197.11761	0.6
206.99280	1.2
207.10210	0.6
210.05301	1.1
224.90436	0.8
225.00394	1.4
225.07677	1.2
225.11285	2.8
225.14996	1.4
225.18645	1.3
225.92702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86335	0.2
58.51339	0.2
59.01383	0.9
73.02933	0.3
73.47224	0.2
74.02475	0.2
81.51657	0.3
86.02484	1.0
92.04591	0.3
92.05052	1.6
98.19866	0.6
116.05061	0.4
118.98122	0.3
120.04560	0.4
128.05063	0.6
130.06654	2.1
131.03778	1.0
132.04579	1.0
134.06139	0.7
139.04042	0.4
141.04610	0.5
144.04585	1.2
146.04901	2.8
157.07738	100.0
158.06160	0.4
158.08087	9.7
175.08781	3.8
176.09099	0.4
201.06708	4.1
202.06985	0.3
210.90320	0.3
219.07756	17.2
219.17467	1.5
220.08025	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	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
53.05465	0.4
59.01381	3.8
64.47770	0.4
69.03437	0.5
69.64297	3.3
71.01392	11.2
71.05029	17.2
72.00922	0.7
72.05400	0.4
73.46712	0.5
75.05169	0.4
83.05022	0.4
88.04055	100.0
89.04383	2.6
91.75060	0.4
96.53540	0.4
99.04531	6.0
101.02415	0.5
116.03555	0.6
116.07218	2.5
129.05667	0.8
130.03000	1.4
136.74573	0.5
146.02478	0.9
146.08258	46.6
147.08644	2.6
157.07689	0.6
174.02002	7.2
175.02370	0.8
218.10349	31.0
219.03009	0.7
219.10638	2.6
219.12517	0.7
219.17557	6.3
228.99332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75605	0.9
57.03453	6.9
57.55682	0.9
58.02967	4.3
59.01382	100.0
60.01712	1.8
60.99326	1.1
67.42094	0.9
69.03469	3.0
70.84277	2.2
71.01382	6.2
72.99310	2.1
73.02959	2.3
74.99113	2.2
75.00882	1.3
81.03457	4.8
83.01405	8.2
83.05028	1.0
85.02955	4.4
87.00900	7.6
87.04527	4.2
88.98821	6.3
89.23143	1.1
90.98621	1.0
95.05039	1.5
97.02962	6.5
99.00900	1.7
99.04535	5.2
101.02464	2.7
102.05682	1.0
103.00386	21.7
103.92042	1.5
111.00885	2.9
113.02461	1.3
113.06112	1.3
115.04024	4.6
118.03361	4.7
118.98132	7.1
125.02471	16.0
127.00411	1.6
128.94217	2.8
129.01949	5.0
131.01750	1.2
131.03545	1.7
133.04102	1.6
133.05092	30.0
139.04041	4.4
143.03522	3.5
145.01436	3.1
146.04546	1.8
157.05067	2.1
157.07748	9.6
159.03044	6.7
159.06618	1.6
173.04425	1.3
173.11894	1.4
175.03993	1.9
187.02481	6.0
188.02766	1.1
218.99681	2.3
219.03101	1.1
219.05049	11.0
219.06880	1.3
219.08733	1.0
219.12383	9.8
219.17496	5.1
220.06342	1.9
220.17899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0459
Annotation	5-Hydroxyindolepyruvate
Peak:m/z	Relative Intensity
50.72851	0.4
52.75084	0.4
58.13052	0.4
58.94601	0.4
59.01386	4.2
72.99310	0.5
85.02962	0.9
88.04042	0.4
93.03479	0.5
98.02486	0.7
99.00846	0.6
108.72100	0.5
113.02485	0.5
116.05068	3.9
118.03018	0.6
118.06646	5.6
119.06985	0.5
128.05084	24.7
129.05428	1.7
131.03793	10.3
132.04587	13.9
133.04947	0.9
144.04573	88.3
145.04927	5.9
146.06139	100.0
147.04530	1.4
147.06480	8.2
156.13269	0.5
157.07823	0.6
160.04079	1.0
172.04063	13.4
173.04404	1.2
173.11807	0.7
174.05624	43.1
175.04118	2.0
175.05939	3.7
175.07465	1.0
190.05014	0.6
191.03563	0.5
214.90976	0.5
218.04599	19.7
219.02994	1.3
219.04858	2.1
219.06674	1.1
219.10252	1.0
219.12387	4.3
219.17546	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	216.9395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68219	0.7
60.99309	13.3
65.30527	0.8
68.61233	0.7
68.81158	0.7
70.86506	1.2
70.86823	0.7
78.95924	3.7
88.98819	100.0
89.99151	2.1
96.53526	0.8
96.96979	3.0
126.94421	57.9
127.94773	1.3
189.02167	0.7
210.89819	0.7
217.02942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1083
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
50.82919	0.2
53.38453	0.2
59.01382	100.0
60.01717	1.8
63.21933	0.2
65.16464	0.3
71.01415	0.4
71.05037	0.6
71.70913	0.4
83.55089	0.3
85.02953	0.4
97.06628	0.7
98.32923	0.2
99.04568	0.3
101.02460	0.3
111.08275	0.2
112.90586	0.3
113.08983	0.5
113.09749	7.2
114.10059	0.6
116.92921	0.3
127.04036	0.4
134.12389	0.2
139.07677	0.7
141.12883	0.2
145.02977	2.7
151.83229	0.2
155.10805	3.0
156.11069	0.4
157.08728	5.4
158.09091	0.5
159.04434	0.3
171.10287	4.3
171.13992	1.3
172.10646	0.3
173.02449	2.0
173.06161	0.3
174.99265	0.5
175.09726	0.5
199.09793	0.5
200.82748	0.2
217.01505	0.5
217.04745	0.4
217.08888	0.6
217.10817	10.3
217.14369	4.4
218.06221	0.3
218.11168	0.9
218.14738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1653
Annotation	11R-hydroxy-dodecanoic acid
Peak:m/z	Relative Intensity
59.01382	100.0
60.01714	1.6
70.72630	1.6
94.62848	0.5
95.05786	0.4
97.93130	0.5
99.77570	0.4
125.19954	0.5
149.83786	0.5
169.15921	0.8
176.28070	0.5
199.65555	0.4
215.00981	0.7
215.16539	30.8
216.16901	4.6
236.48715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.5
58.02979	33.4
59.01382	41.6
59.03329	0.5
60.01719	1.3
62.90598	0.4
69.03470	0.8
69.69126	3.3
70.24805	0.5
71.01396	1.3
72.99303	1.0
73.02926	0.6
82.02982	0.9
83.01390	0.6
84.04568	0.5
85.02965	8.3
86.02501	0.5
86.06129	2.3
87.00923	0.5
88.98813	1.7
89.02461	1.6
91.84769	0.4
93.03479	0.9
96.04559	1.0
97.02975	11.7
98.02487	1.4
98.06137	0.6
98.20597	0.7
99.04530	0.9
100.04049	0.5
100.07704	9.6
100.08340	0.9
101.02477	0.5
108.62562	0.5
111.04543	1.3
112.04066	0.7
112.07706	2.4
114.05627	25.4
115.05988	0.8
118.26857	0.5
125.20581	0.4
126.94402	0.8
127.04017	1.1
128.05127	4.0
128.07199	25.8
129.01923	0.9
129.05583	0.9
129.07550	1.7
132.06699	4.6
137.02490	0.5
144.04550	0.6
155.03539	0.6
155.06149	0.8
156.03021	2.2
156.06683	20.3
157.05064	0.7
157.07047	1.5
172.04088	3.2
172.09833	1.1
173.04536	2.2
173.05901	0.5
174.07735	100.0
175.08093	7.1
175.09619	0.7
179.05681	0.8
190.05144	6.5
191.05545	0.9
198.04138	0.6
216.01266	2.2
216.03130	1.1
216.08731	4.3
217.01453	0.9
217.03386	1.2
217.07137	1.4
217.08954	0.6
217.10791	1.4
218.58107	0.4
229.39560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	3-Oxododecanoic acid
Peak:m/z	Relative Intensity
57.03450	50.8
58.03782	1.5
60.11303	0.4
61.98856	0.5
63.07389	0.4
69.03463	1.2
69.14832	0.4
70.36788	0.3
71.09869	0.4
71.10207	1.0
83.05064	0.4
91.49001	0.4
124.15100	0.4
132.32707	0.4
141.12878	2.6
151.11334	0.5
153.12901	2.8
169.16002	100.0
170.16327	11.2
195.13921	0.8
213.14972	53.0
214.15324	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	213.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	67.1
58.03780	1.1
59.01374	3.4
61.98827	1.8
65.48655	0.9
66.03477	1.6
69.03456	2.2
69.36164	0.8
70.32767	2.2
70.33192	2.1
71.05017	1.4
81.03468	0.9
83.05025	1.8
85.02941	0.9
97.02953	2.2
101.57260	0.8
125.02451	1.0
131.72160	1.0
139.07663	1.0
141.06816	1.1
141.12868	4.4
151.11240	0.9
153.01866	1.2
153.12849	3.6
155.14456	3.9
167.14407	3.9
168.98863	1.5
169.01379	1.6
169.15994	66.5
170.16309	7.3
183.13884	1.9
185.15515	3.0
194.99323	1.7
195.14166	1.1
197.99246	1.8
213.07751	1.5
213.11511	2.7
213.14958	100.0
214.01520	1.8
214.07181	1.1
214.15327	10.7
227.70494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03447	3.6
59.01378	1.5
61.98832	0.4
66.03468	0.6
69.03454	0.7
70.28613	0.8
70.29030	1.3
72.99293	0.5
79.95755	0.8
83.05047	1.1
95.05060	0.5
109.06634	0.5
111.04520	0.4
111.08185	7.5
111.97781	0.5
122.36406	0.4
123.08182	33.6
124.08506	2.6
125.09731	3.4
133.06680	0.4
135.08199	0.4
137.09764	6.4
139.11314	53.3
140.11638	4.4
142.20297	0.5
151.11324	8.5
152.11694	0.5
153.09230	0.7
167.10779	1.2
169.12357	5.3
170.12695	0.7
183.13876	0.7
195.13913	0.7
213.11337	100.0
213.14841	4.4
214.11684	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	213.077
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
51.35411	1.4
52.54890	1.2
57.03451	8.9
59.01377	2.1
66.03496	2.2
66.86633	1.3
67.05521	2.6
68.95039	1.2
69.03490	1.8
71.01371	1.8
71.05025	2.1
71.70950	1.6
81.03448	1.7
81.07089	2.6
83.05038	4.5
93.03456	1.6
95.05022	1.4
97.02972	1.5
98.54977	1.3
99.04535	91.7
100.04883	3.5
109.06616	3.2
110.02491	1.6
111.04528	4.9
117.59937	1.4
123.08168	1.9
125.02472	24.9
125.09750	45.6
126.10075	4.1
138.12608	1.6
151.04054	1.3
151.07704	1.4
169.08727	100.0
170.09117	7.5
183.14041	1.9
194.99359	1.7
195.13989	2.2
213.05905	3.1
213.07700	81.2
213.11174	3.1
213.14969	13.5
213.18643	3.7
214.01503	2.2
214.08116	6.1
214.15057	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	211.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.18632	0.4
55.53509	0.4
59.01377	0.4
61.81183	0.4
69.72424	3.1
69.72806	0.9
71.01365	0.4
72.99328	1.1
84.02171	2.8
127.11305	1.3
151.11270	1.4
153.12877	6.6
155.14439	100.0
156.14760	9.6
156.16048	0.5
183.13913	9.2
184.14221	0.7
211.06068	0.7
211.13380	5.6
211.17024	0.8
212.13724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
52.31340	0.8
57.03448	0.7
59.01382	5.8
60.99313	1.0
61.98837	3.5
65.00331	0.7
71.70131	0.7
79.01891	0.8
81.03477	1.3
83.05045	1.1
85.02930	0.9
94.02990	0.8
95.01402	3.2
95.05013	0.8
97.02961	1.0
97.06608	3.8
101.16649	0.8
109.06661	1.2
111.04479	0.8
111.08139	0.9
120.88549	0.8
121.02987	0.9
123.00929	3.0
123.04488	1.7
123.08161	0.8
124.04053	1.9
125.04394	2.3
137.02475	1.2
137.09714	0.8
139.00395	0.9
139.04031	1.0
148.01668	1.1
149.13379	2.4
151.00391	1.0
151.06133	2.1
153.05638	1.7
164.98318	2.2
165.12885	3.1
167.10796	2.3
167.14427	4.9
181.01447	2.4
182.99348	1.5
191.53127	0.7
192.97865	0.8
193.12367	6.4
196.03772	4.2
200.86063	0.8
209.11876	1.9
211.06161	3.8
211.09900	2.5
211.13417	100.0
212.03581	1.1
212.05641	0.7
212.09436	1.0
212.13776	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	211.0251
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
56.48030	0.2
59.01388	0.2
60.12952	0.2
63.02400	3.4
65.00329	17.0
66.00669	0.4
71.69971	0.3
83.00896	0.4
83.01399	8.8
84.01752	0.3
95.01411	0.7
107.01408	26.1
108.01708	1.3
108.99340	0.6
109.02966	0.4
111.00920	0.3
121.02994	0.2
122.81209	0.2
123.08243	0.2
124.04070	0.5
125.04416	0.5
137.02448	0.2
139.00375	0.3
139.04070	0.3
151.00397	100.0
152.00735	6.6
164.98297	1.3
167.06145	1.2
169.01451	2.6
178.99893	6.3
179.01495	0.3
180.00250	0.3
181.01469	0.8
182.99326	0.4
183.03017	0.7
184.04036	0.3
192.97876	0.3
196.03838	0.8
211.02495	21.7
211.05954	0.6
211.07813	0.6
211.09689	0.3
211.13280	1.0
212.02794	1.9
212.07645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76152	0.1
59.01379	0.2
61.98834	100.0
62.98536	0.3
71.68915	0.2
78.95919	0.1
91.91039	0.1
94.02997	0.4
94.15112	0.1
110.38167	0.1
112.73476	0.1
121.64985	0.1
124.04092	1.1
128.04132	0.1
151.84235	0.1
151.91878	0.1
160.86092	0.1
164.96468	0.6
166.91052	0.2
173.95233	0.2
174.87495	0.2
196.03777	0.1
200.06535	0.1
209.94923	35.1
210.94995	4.0
211.06007	0.2
211.13460	0.2
224.07918	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0411
Annotation	Betalamic acid
Peak:m/z	Relative Intensity
53.26264	0.6
53.96624	0.7
55.21235	0.5
57.03466	0.8
58.43726	0.5
59.01371	2.7
61.98824	3.1
66.03487	1.4
69.03468	0.6
71.01395	1.5
72.96062	0.7
72.99296	0.8
73.02950	0.8
78.95890	1.2
82.02983	0.8
92.05007	0.8
93.03454	1.8
93.87023	0.6
94.02987	7.1
95.01380	1.9
95.05081	0.7
96.10624	0.6
96.96023	6.4
97.02985	1.1
103.04292	1.3
104.05082	33.8
105.05408	1.8
108.02203	0.8
109.02940	0.8
120.04572	5.5
121.02984	1.1
122.02483	0.9
122.06139	1.8
122.72462	0.6
123.00888	0.9
123.04531	1.9
123.08163	1.0
124.04063	17.7
125.02464	1.4
125.06075	0.6
134.03758	1.0
136.01701	0.7
137.02492	1.7
148.01636	2.0
148.04068	58.2
149.04439	3.9
151.04033	0.7
151.06154	1.6
153.01907	0.6
153.05609	3.6
163.04021	2.2
166.05112	100.0
167.03448	0.7
167.05444	6.5
181.01447	2.4
181.05046	1.8
192.06709	0.7
192.97740	0.7
193.05061	1.2
196.03738	3.7
198.84654	0.6
210.00877	1.2
210.04079	15.6
210.07526	2.8
210.11638	0.6
211.02567	0.9
211.04301	1.4
211.06123	6.1
211.07820	1.9
211.13411	3.8
225.66647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01353	0.4
51.36427	0.3
52.69278	0.4
57.03457	3.8
59.01382	100.0
60.01723	2.0
61.98832	4.5
63.81018	0.4
66.03497	0.6
71.01392	0.9
71.29691	1.0
80.02700	0.8
81.03471	1.6
83.01400	0.4
83.05016	0.4
85.02954	0.8
87.86960	0.4
89.18787	0.4
92.99836	0.5
93.03489	1.5
94.03008	3.3
94.69488	0.4
95.01427	0.5
95.05099	0.4
96.96040	0.9
97.06610	3.6
109.06609	4.5
120.02174	0.8
121.02978	37.5
122.02515	0.6
122.03315	2.2
123.04575	0.5
123.08186	0.7
124.04067	9.4
135.04517	0.8
136.01736	0.4
136.98813	0.5
137.02458	0.6
137.06107	0.7
139.04016	0.4
149.02422	0.5
149.09790	0.5
153.05682	0.4
164.98271	0.6
165.09244	0.7
165.12866	5.3
166.13139	0.5
178.99916	0.6
179.03590	0.6
193.03970	0.4
194.02194	0.9
194.05934	1.2
209.01149	0.5
209.04575	7.8
209.08258	1.9
209.11836	19.9
209.94835	0.8
210.05040	0.8
210.07724	0.8
210.12199	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	209.0821
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
57.60197	0.8
57.72897	0.7
59.01377	4.4
61.98826	1.9
69.38252	8.6
71.01379	2.9
72.99319	2.2
73.02943	3.3
78.95901	1.7
80.66027	0.8
81.03464	1.0
85.02962	1.6
89.02445	0.8
91.05547	58.8
92.05869	3.6
93.03461	2.9
94.02995	3.4
98.20605	1.3
99.12080	0.8
117.01942	2.3
117.03476	3.7
119.05047	3.8
120.02203	1.7
121.02975	55.9
122.03306	3.5
123.04612	0.8
124.04070	15.6
134.63347	0.7
135.04543	11.6
137.02394	1.3
137.06044	1.5
147.04536	17.8
148.04878	1.4
153.03171	1.3
161.02440	1.1
163.04044	12.0
163.07675	4.6
164.04440	0.8
165.05589	24.7
166.05940	2.4
173.04556	1.0
178.99904	1.3
179.03465	1.2
186.31776	0.7
191.07202	5.2
194.02180	2.8
194.05856	2.1
209.04599	10.4
209.08203	100.0
209.11632	2.7
210.04814	0.9
210.08589	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	206.9746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48611	0.1
53.20493	0.1
57.03456	0.2
59.01382	6.3
60.23788	0.1
61.98835	100.0
62.98549	0.3
70.97694	0.2
70.98045	0.2
71.01392	0.3
72.99323	0.4
75.00876	0.2
85.02980	0.2
86.12852	0.1
99.00889	0.2
119.05011	0.4
120.84222	0.1
122.02541	0.1
129.01984	0.9
145.70747	0.1
146.97072	0.1
147.03030	0.7
147.04533	3.7
148.04883	0.3
149.02403	0.2
150.16428	0.1
162.98506	1.1
164.96416	0.4
165.05606	3.2
165.07034	0.2
166.05840	0.2
177.01927	0.9
181.70605	0.1
192.04315	1.0
193.04578	0.1
206.97467	9.9
207.06648	0.3
207.97563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0825
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
50.27889	0.5
58.02979	35.3
69.56806	4.7
69.57140	0.9
70.02988	12.9
71.03334	0.7
72.00918	5.6
75.55448	0.7
91.05550	13.4
92.05915	0.5
103.05542	0.7
117.33981	0.5
135.04573	1.0
147.04550	35.3
148.04875	2.1
156.11151	0.5
162.09261	1.5
164.07193	100.0
165.07523	8.1
169.56482	0.6
185.89738	0.5
206.08247	47.8
207.08542	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	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	32.9
58.79821	0.4
59.03320	0.7
69.68425	0.4
70.01984	1.9
70.02392	0.7
70.02612	0.8
70.02983	14.0
70.31685	0.4
72.00915	4.8
72.59659	0.4
74.58862	0.4
91.05544	11.6
92.05907	0.8
98.19845	0.6
111.02773	0.4
111.69574	0.4
135.04497	1.0
147.04543	32.7
148.04901	2.3
162.09276	0.7
164.07188	100.0
165.07544	6.3
206.08234	47.1
207.08592	3.6
219.91473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0872
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
55.01883	0.4
58.02991	1.5
59.01383	10.1
59.01658	0.6
60.01736	0.5
61.98850	0.5
68.99848	0.4
69.53033	2.9
69.53451	0.8
71.01389	7.6
72.99319	4.1
73.02975	0.8
75.00877	3.5
83.01432	0.7
85.02962	0.6
87.00890	3.6
89.02491	0.7
93.03516	0.6
96.99368	0.4
99.00896	3.9
101.02441	0.8
103.00405	0.9
111.00912	1.2
113.02486	0.3
115.00391	8.0
117.01971	1.2
117.03532	0.3
121.02995	0.8
122.03767	6.9
124.01710	0.4
124.98846	1.3
127.00420	1.0
129.01974	1.1
133.03001	0.6
133.06624	0.5
135.04578	0.5
137.02477	1.2
142.99901	1.5
145.01454	1.4
147.04552	10.3
148.05122	1.2
149.06091	1.0
154.02748	0.9
154.99883	1.2
160.04254	0.4
161.02449	1.4
161.06149	1.3
162.03207	0.3
162.06802	0.3
162.89386	1.5
164.07207	3.8
173.00978	0.6
175.02632	1.0
175.04022	20.1
176.04811	100.0
177.01991	0.4
177.05159	7.8
177.09247	1.8
178.05141	0.4
187.07645	1.1
190.02811	0.6
205.01514	0.7
205.03525	0.7
205.05255	6.3
205.08710	37.2
205.16002	6.3
206.00868	0.4
206.05441	0.5
206.08940	3.8
206.16295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03443	2.3
57.45935	0.6
58.00583	1.2
58.02971	4.1
59.01382	45.8
60.01722	0.9
67.01891	4.2
68.99819	2.5
69.03469	1.4
71.01390	17.8
71.05019	2.1
71.18075	0.5
71.68269	0.7
72.98923	1.0
72.99318	15.2
73.02956	10.0
74.05630	0.6
74.99113	1.0
75.00881	6.2
81.03483	1.9
83.01392	3.6
83.05026	1.9
85.02965	4.0
87.00888	43.1
88.01214	1.0
89.02447	0.7
96.99329	1.4
97.02964	1.1
97.06604	1.1
97.51594	0.7
99.00903	9.9
99.04533	6.4
101.02452	6.4
103.00379	1.3
103.92030	0.9
109.18040	0.6
111.00902	100.0
112.01232	5.0
112.98859	2.8
115.00395	16.3
115.04038	2.6
117.02046	3.8
118.03354	6.6
124.98816	2.6
125.02472	14.8
126.02802	1.2
127.00407	1.4
127.04033	2.0
129.01967	3.8
130.99864	0.8
142.34688	0.6
142.99892	3.6
143.03535	11.4
143.07170	2.5
144.03838	0.7
145.01445	5.2
145.05087	8.5
149.06111	0.7
154.99892	6.1
161.02621	0.9
161.04593	1.0
161.06104	1.6
162.05598	1.4
162.89342	1.0
163.02594	0.8
163.06206	0.9
164.07245	0.7
169.01503	0.9
173.00925	5.7
175.02521	1.4
187.02487	1.9
187.06158	1.4
195.00075	0.6
205.01616	1.2
205.03534	8.1
205.05174	3.8
205.07201	5.3
205.08847	1.1
205.16020	5.0
206.05154	1.4
206.07935	0.8
206.16373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63054	1.9
55.01879	4.6
57.03445	6.3
58.00605	2.3
58.02962	3.4
59.01379	89.7
63.97107	1.6
67.01890	8.2
68.99831	8.7
69.03458	2.3
71.01387	60.4
71.05025	9.7
72.01742	2.1
72.99310	37.4
73.02952	18.0
75.00883	19.7
81.03475	5.1
83.01397	13.4
85.02962	8.8
87.00887	66.6
88.01261	2.2
88.98789	1.8
89.02467	8.8
96.99329	5.3
97.02977	2.3
97.90588	1.7
99.00894	41.4
99.04525	19.2
100.01202	3.6
101.02463	26.2
103.00405	6.1
111.00894	100.0
112.01252	3.7
112.98825	67.6
113.99142	2.0
115.00388	52.9
115.04050	5.9
116.00712	2.3
117.01964	12.5
124.98850	8.1
125.02466	76.6
126.02769	3.8
127.00406	7.0
129.01950	13.0
142.99895	12.2
143.02475	1.9
143.03465	10.1
145.01453	27.0
145.05138	9.4
154.99887	11.8
155.22861	1.8
161.04396	8.0
163.06238	2.1
173.00906	11.6
175.02515	4.8
187.02541	9.4
205.03630	23.5
205.05267	3.0
205.07097	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33384	1.8
55.01869	6.0
57.03435	5.0
58.02965	2.6
59.01383	56.3
67.01897	3.0
68.99818	6.4
70.09339	4.5
70.09759	3.8
71.01391	51.9
71.05023	3.7
72.01718	1.9
72.99313	26.4
73.02950	9.1
75.00888	21.8
75.69093	1.6
78.27541	1.8
81.03465	2.1
83.01404	14.1
85.02959	7.0
87.00883	27.4
89.02451	13.3
89.84501	1.4
96.99317	3.3
98.19822	1.7
99.00893	43.1
99.04527	7.6
101.02432	10.3
103.00412	3.6
111.00885	17.4
112.98830	100.0
113.99142	5.0
115.00391	47.4
115.03993	2.3
117.01958	9.1
124.98811	6.0
125.02482	32.1
127.00381	5.6
128.64493	2.0
129.01964	11.1
142.99895	12.7
143.03511	2.6
145.01454	25.2
145.05043	3.9
154.99849	5.6
157.01375	2.3
173.00920	9.0
175.02426	2.4
187.02499	6.9
205.01773	1.6
205.03500	8.7
205.05161	1.7
205.09084	2.9
206.03879	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.7
57.03441	6.8
58.02960	3.6
59.01381	83.1
60.01718	2.1
60.99303	2.4
63.11314	1.8
67.01884	4.5
68.99813	8.2
70.46874	4.4
70.47272	3.8
71.01390	71.5
71.05011	5.2
72.01728	2.1
72.99315	38.9
73.02947	17.0
74.04748	2.0
75.00880	29.4
79.89754	1.8
81.03460	3.4
82.76470	1.8
83.01406	12.7
83.57555	1.9
84.99377	2.0
85.02971	7.0
87.00890	48.5
88.98787	1.8
89.02444	13.4
96.99327	4.4
97.02936	1.9
99.00899	45.2
99.04535	15.5
100.98784	2.5
101.02460	22.5
103.00391	4.9
111.00896	51.2
112.01244	2.3
112.98829	100.0
113.99185	5.3
115.00394	61.0
115.01227	2.2
115.04022	5.6
116.00722	2.5
117.01990	11.8
124.98846	8.9
125.02464	65.0
126.02827	2.8
127.00412	5.9
129.01968	16.6
130.83177	1.7
142.99863	12.7
143.03568	12.8
145.01439	34.5
145.05130	6.3
154.99911	10.9
157.01335	2.7
163.06148	3.5
173.00949	8.8
175.02512	6.2
187.02498	14.6
201.43513	1.9
205.03583	25.7
205.07117	2.9
205.09041	3.2
206.03766	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	204.0002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.1
60.01717	1.2
61.01805	0.4
61.98834	100.0
62.98550	0.4
68.99849	0.2
71.01388	1.3
71.39734	0.2
72.99336	0.7
73.02980	0.2
75.00886	0.4
83.01427	0.2
85.02962	0.2
87.00900	0.6
99.00887	0.7
111.00877	0.2
115.00389	1.2
116.05153	0.1
122.89460	0.2
124.98883	0.2
127.00548	0.1
128.05147	0.1
129.01961	0.2
142.06635	0.1
142.99890	0.2
143.86543	0.2
145.01471	0.2
154.99974	0.1
158.06155	0.3
158.87167	0.2
160.03807	0.2
161.06104	0.2
162.89445	0.2
175.02522	0.3
186.05675	0.2
204.00072	1.1
204.02721	0.8
204.06664	0.6
205.00183	0.2
205.05125	1.1
205.07024	0.2
205.08730	0.2
205.12439	0.2
205.16031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.129
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
57.58158	0.2
59.01382	4.6
68.72990	0.2
69.03447	0.2
69.72282	0.3
69.72694	1.1
71.01393	0.4
71.05048	0.2
72.99319	0.5
87.45415	0.1
91.86189	0.2
97.02956	0.3
97.06571	0.2
99.08186	0.7
101.02496	0.2
103.92044	1.0
104.97762	0.5
113.02451	0.3
116.05104	0.5
125.09750	0.7
127.11314	12.6
128.05164	0.2
128.11639	0.8
130.06648	0.2
130.94386	0.4
137.09740	0.4
139.11320	0.4
142.06650	0.2
148.95430	0.3
155.10808	7.1
156.11159	0.6
157.12360	42.7
158.06151	0.5
158.12704	3.6
159.04507	0.2
185.11874	0.5
186.05656	0.3
201.11371	0.7
202.94318	0.2
203.12892	100.0
204.02957	0.2
204.06699	1.1
204.13245	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	203.0828
Annotation	Tryptophan
Peak:m/z	Relative Intensity
66.82739	0.6
71.02731	1.5
72.00915	24.8
72.01315	1.2
74.02481	34.9
103.07114	0.7
116.05083	100.0
117.05444	5.7
130.06648	2.6
142.06642	25.5
143.06975	2.6
159.09297	20.3
160.09647	2.0
161.04912	0.8
186.05598	3.3
203.08279	75.2
204.08594	8.5
213.42305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1498
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
55.01876	0.6
57.02007	0.4
59.01380	3.8
61.98817	0.5
62.60048	0.3
62.64545	0.3
69.03449	0.5
69.80342	0.3
69.90430	0.3
70.40099	0.8
70.40494	0.6
70.65692	0.3
72.99340	0.4
73.95714	0.3
83.53565	0.4
88.98814	0.3
98.19958	0.5
99.92600	0.7
110.96999	0.4
112.90299	0.3
116.92889	1.4
120.04633	0.4
127.11297	0.9
130.35460	0.3
141.02089	0.3
141.93710	0.8
153.12860	3.9
154.13268	0.5
155.14436	96.7
156.14755	8.8
158.89330	0.7
159.89429	1.1
180.83006	0.4
183.10300	0.5
183.13908	2.5
193.14772	0.3
199.13499	0.7
201.14975	100.0
202.15300	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	203.02
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02396	1.5
57.03443	3.5
58.02972	5.0
59.01385	3.2
60.99312	1.7
67.01888	1.7
69.03466	70.4
70.03790	3.6
71.01392	46.8
71.47541	2.4
71.47874	1.6
72.99319	7.7
75.00890	4.0
78.02148	1.0
79.01892	7.9
83.01398	1.7
85.02966	10.2
85.05622	1.1
87.00890	14.0
95.01417	9.9
97.02971	90.5
98.03300	3.0
99.00911	2.6
100.04069	2.5
103.92040	7.8
104.97760	3.0
111.00908	2.7
113.02482	2.8
115.00393	7.9
115.04034	2.5
116.07202	2.7
123.00893	3.1
129.01924	3.7
130.94409	4.2
140.07167	3.2
141.01978	18.7
148.95448	4.2
158.08278	7.1
159.02980	2.3
185.00890	1.2
186.07703	2.8
198.73917	1.1
202.94260	1.5
203.01996	100.0
204.02328	7.2
204.08801	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	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.51636	0.6
59.01381	93.1
59.43350	0.6
60.01714	1.5
69.03463	1.9
71.01371	0.6
71.05038	0.7
72.99338	0.9
75.59188	0.6
85.02950	1.2
86.39108	0.6
87.04539	1.6
88.98811	0.9
95.01414	1.0
99.92577	1.9
101.92497	0.9
111.00910	1.0
113.02433	1.2
113.09746	28.7
114.10076	1.5
116.92871	1.3
125.09751	1.3
139.11322	3.8
141.01987	0.8
141.09238	19.9
141.93640	1.9
142.09569	1.8
157.01405	0.6
157.08777	0.9
157.12386	3.8
158.06157	1.3
158.89343	1.3
159.10287	100.0
159.89415	2.8
160.10619	8.1
173.06105	1.7
174.05530	0.7
181.31891	0.7
183.10266	1.7
193.72166	0.7
201.02211	1.7
201.04002	0.7
201.05591	2.2
201.07404	0.9
201.09456	1.3
201.11334	9.7
201.14978	2.3
202.01430	1.1
202.05038	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	199.1342
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
54.37189	1.3
59.43866	1.4
60.73800	1.2
61.97762	1.2
63.04964	1.3
68.73046	1.2
69.87897	6.2
81.71732	1.3
107.19826	1.3
124.60504	1.4
145.46614	1.4
149.01904	1.3
171.13919	6.8
174.73987	1.3
182.42238	1.3
199.13419	100.0
200.13754	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	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94284	0.2
53.37532	0.2
59.01384	100.0
60.01715	1.6
70.81566	0.6
94.02911	0.2
113.04705	0.2
115.02526	0.4
157.03601	4.5
158.03777	0.6
159.01544	3.2
160.01660	0.3
201.02589	14.6
202.02747	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	197.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73455	0.2
54.59735	0.2
58.01468	0.2
62.57686	0.2
62.74949	0.3
63.68935	0.3
68.99812	0.3
71.70618	0.3
120.86979	0.3
145.28378	0.2
153.12868	1.1
155.14507	0.4
179.14473	0.5
197.15486	100.0
198.15826	10.8
212.14449	0.2
215.67688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.041
Annotation	Clavulanic acid
Peak:m/z	Relative Intensity
53.32098	0.4
56.62547	0.4
57.03444	0.7
59.01368	0.6
61.98844	0.4
65.00332	9.1
66.00700	0.5
67.01917	0.7
68.02579	0.8
69.03457	0.7
71.01398	0.7
71.05032	0.9
71.28799	0.4
71.69543	0.7
78.95925	1.2
82.03005	0.7
83.01408	0.5
83.05022	0.5
94.02998	4.8
95.02512	0.4
96.04540	2.2
96.96986	1.7
97.03004	0.7
99.00897	0.8
101.02469	1.7
106.03004	0.6
107.03793	0.6
108.04580	3.6
109.02981	0.5
111.04533	1.0
112.04171	0.5
113.02500	1.6
118.03033	0.4
120.21605	0.4
122.02451	1.2
122.03249	0.5
124.04066	31.6
125.04399	1.5
127.04051	0.8
136.04076	4.0
140.00485	0.4
152.03566	35.5
153.03943	1.9
154.05132	100.0
155.03580	0.5
155.05487	5.5
155.10759	0.9
181.05014	0.4
198.04105	38.3
199.04561	2.3
199.06129	0.7
199.09741	0.7
199.13402	0.6
199.17081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1548
Annotation	cis-5-dodecenoic acid
Peak:m/z	Relative Intensity
56.17597	0.4
56.63921	0.4
60.00990	0.4
61.98820	1.5
64.12960	0.4
65.99823	0.5
68.99576	1.6
70.93694	1.2
82.02972	0.5
84.32573	0.4
90.30242	0.4
97.03136	0.4
109.03016	0.8
110.02480	0.5
111.00946	0.4
112.98638	0.5
125.02432	0.7
126.02004	0.8
126.90528	2.4
134.86566	8.6
146.08665	0.4
153.01935	0.8
153.12888	1.2
154.01443	0.4
155.14436	0.8
158.20137	0.4
160.84428	0.5
178.99905	1.2
195.72911	0.4
197.00807	0.6
197.02303	0.5
197.15485	100.0
197.80791	0.5
198.00600	0.5
198.15814	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	197.1549
Annotation	cis-5-dodecenoic acid
Peak:m/z	Relative Intensity
55.51614	0.3
70.32230	1.1
70.32639	0.6
72.68550	0.3
98.03705	0.5
101.27504	0.3
153.12846	1.4
155.14488	0.5
156.42070	0.3
179.14458	0.5
197.15488	100.0
198.15819	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	197.1549
Annotation	cis-5-dodecenoic acid
Peak:m/z	Relative Intensity
50.86971	0.2
58.02684	0.2
68.72524	0.2
69.95458	1.4
77.98626	0.2
91.85575	0.2
124.86517	0.2
137.17235	0.2
153.12877	1.0
154.53819	0.2
155.14439	0.5
181.86282	0.2
197.15489	100.0
198.15836	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03457	0.5
59.01384	1.9
59.93237	0.4
61.98832	2.0
62.74351	0.4
65.00346	0.6
67.01894	0.5
69.03455	1.2
71.01370	0.6
71.05045	0.9
72.58518	0.4
78.95907	0.6
81.03471	0.5
82.03006	0.6
83.01423	0.6
83.05035	1.0
85.02976	1.1
93.03510	1.0
95.01411	1.6
95.05042	0.9
97.02967	1.0
97.06606	12.0
98.06957	0.6
99.08176	3.5
101.02441	0.5
107.05047	0.5
109.02976	1.6
109.06641	1.3
110.02549	0.5
111.04536	1.3
112.00459	0.6
112.01682	0.7
116.92859	1.0
121.02970	1.4
122.03761	2.6
123.00903	5.0
123.04535	0.8
125.02473	2.0
125.06075	0.7
125.09746	1.4
126.03276	0.7
126.90532	3.7
128.90645	0.4
135.04517	0.5
135.08127	0.6
137.02477	0.8
137.09746	1.7
138.03281	0.9
151.04060	0.5
151.11284	1.1
153.01976	1.7
153.05664	2.1
153.12875	100.0
154.01534	0.5
154.13211	9.0
159.04567	1.2
160.84274	0.7
162.83961	1.3
166.99915	3.6
177.05579	0.9
178.99924	0.7
179.03555	0.6
179.10788	21.8
180.11157	1.8
182.02238	8.1
182.05945	0.7
183.02612	0.6
196.89549	2.4
197.00648	0.7
197.02182	1.0
197.04578	3.6
197.08235	1.9
197.11845	12.2
197.15483	38.9
197.80835	1.1
198.07759	0.9
198.12126	1.1
198.15828	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	196.0253
Annotation	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
Peak:m/z	Relative Intensity
51.94165	0.2
53.86464	0.2
59.01384	1.1
61.98826	0.2
63.05039	0.2
67.03033	0.3
68.99816	0.3
71.01379	0.2
71.70754	0.4
72.99303	0.4
78.95892	1.1
80.96557	0.3
83.01407	0.8
85.02871	0.2
87.00877	0.5
96.96021	0.5
98.02475	0.2
103.92035	0.3
106.03065	0.3
106.84719	0.2
107.01398	0.3
107.03799	0.6
108.04571	100.0
109.02971	0.6
109.04198	0.4
109.04903	5.1
109.06583	0.3
110.02473	0.5
116.92896	0.2
121.02970	3.4
123.00905	0.8
123.04576	0.3
125.02449	0.6
135.04552	1.2
137.02475	0.3
151.00389	0.7
152.03554	44.0
153.02013	2.1
153.03896	2.6
153.05595	0.3
153.09195	0.2
166.99960	0.4
182.02214	1.5
196.02531	11.3
196.89494	1.9
197.02838	0.6
197.04610	1.9
197.08180	0.4
197.11905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
67.01907	0.3
69.03463	0.3
71.01392	1.9
71.09411	0.5
71.77969	0.2
73.02949	1.5
81.03529	0.4
83.01391	0.6
85.02979	1.3
87.00895	0.4
89.02455	0.5
93.03516	0.3
95.01405	0.5
97.02995	0.5
99.00906	0.8
101.02470	1.5
107.05056	1.1
111.00900	0.3
113.02473	0.4
121.03001	0.8
124.01732	0.4
125.02474	0.4
133.02994	0.5
134.03769	7.4
135.04550	32.8
136.04871	2.2
137.02475	1.5
139.03979	0.5
140.01202	0.3
141.01964	0.4
149.02467	0.4
149.06104	2.8
150.06483	0.3
161.04633	1.8
163.04031	100.0
164.04367	8.2
175.42567	0.3
177.05708	0.4
178.02902	5.9
178.06375	74.9
179.03149	0.9
179.06709	7.5
193.01390	1.1
193.05106	4.4
193.07147	1.3
193.08711	10.3
194.05399	0.4
194.09023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
55.01866	0.1
57.03448	0.5
57.78768	0.1
58.00596	0.2
59.01379	4.3
67.01886	0.9
69.03456	0.5
69.82386	0.4
69.82821	0.5
71.01382	1.7
72.99333	0.2
73.02953	0.9
81.03457	0.9
83.01400	0.2
83.05031	0.9
85.02960	20.6
86.03300	0.6
87.00880	4.7
91.05553	0.2
93.03471	6.5
94.03797	0.5
97.02970	0.2
99.00907	0.1
99.04543	0.8
101.02440	0.4
109.02962	1.6
109.20716	0.2
111.00895	1.8
111.04530	2.2
113.02391	0.2
127.04028	3.9
127.69367	0.1
128.04314	0.3
129.01982	0.2
130.88530	0.1
137.02434	0.4
138.79492	0.1
143.03529	0.2
153.01917	0.2
155.03508	0.3
171.03026	1.1
173.04550	1.8
174.04893	0.2
191.05627	100.0
192.05965	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	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
53.41486	0.2
57.03448	0.4
58.00611	0.3
59.01091	0.2
59.01382	3.6
60.99321	0.2
67.01891	0.7
69.03457	0.6
71.01393	1.5
71.28476	0.4
73.02940	0.8
73.96970	0.2
75.27044	0.2
81.03465	1.0
83.01392	0.1
83.05045	0.9
85.02962	19.1
86.03310	0.9
87.00887	3.8
93.03477	5.9
94.03799	0.3
99.00859	0.2
99.04517	0.6
103.37105	0.2
109.02987	1.6
111.00886	1.3
111.04546	1.6
113.02470	0.2
125.02399	0.2
127.04042	4.4
137.02473	0.4
155.03526	0.3
171.03032	0.9
173.04570	1.7
174.04872	0.2
191.05634	100.0
192.05984	6.7
196.06395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0565
Annotation	Quinic acid
Peak:m/z	Relative Intensity
53.92269	0.1
57.03441	0.5
59.01381	2.3
59.37779	0.2
60.99262	0.2
67.01875	0.7
69.03448	0.3
71.01385	1.9
71.08221	0.5
72.99309	0.2
73.02945	0.7
78.32563	0.1
79.95605	0.2
81.03027	0.2
81.03458	0.7
83.05032	0.7
85.02961	18.9
86.03300	0.5
87.00880	4.0
88.98837	0.2
93.03471	6.4
94.03810	0.3
95.01385	0.2
99.00883	0.3
99.04542	0.9
99.05125	0.2
101.02460	0.3
109.02972	2.0
111.04532	2.4
113.02476	0.3
125.02423	0.3
125.34941	0.2
127.04028	4.5
128.04465	0.2
137.02455	0.4
153.01968	0.2
155.03511	0.4
171.03027	1.0
173.04532	1.7
187.50027	0.2
191.05626	100.0
192.04233	0.4
192.05971	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	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03443	0.4
59.01379	3.1
62.25863	0.2
66.78123	0.2
67.01897	0.7
69.03455	0.6
71.01389	1.7
71.27822	0.4
71.28162	0.2
73.02949	0.9
76.84846	0.2
81.03479	0.7
81.83445	0.2
83.05054	1.1
85.02962	21.1
86.03312	0.7
87.00889	4.1
93.03472	7.1
94.03809	0.3
95.01400	0.3
99.04538	1.1
108.02234	0.2
109.02975	1.8
111.00897	0.8
111.04528	1.8
125.02448	0.2
127.04035	3.9
128.04384	0.2
137.02492	0.3
143.14522	0.2
153.01913	0.3
155.03545	0.5
171.03029	1.0
173.04593	2.0
186.52301	0.2
191.05641	100.0
192.05986	6.5
193.03296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	D-Galactaro-1,5-lactone
Peak:m/z	Relative Intensity
57.03456	5.7
58.70648	0.4
59.01382	1.8
59.29372	0.3
65.25531	0.3
67.01888	2.2
69.87131	1.6
71.01396	0.6
72.08915	0.3
72.87334	0.3
73.02949	0.6
81.03470	0.4
85.02965	27.7
86.03301	1.1
86.64215	0.3
87.00889	40.3
88.01231	1.0
93.03476	1.7
99.00854	0.4
101.02478	0.6
103.04031	0.4
109.02999	0.5
111.00903	100.0
112.01247	4.1
112.98836	0.9
127.04058	1.2
129.01964	5.3
130.52423	0.3
130.99893	1.3
145.62488	0.3
147.02998	0.7
154.99854	0.8
171.03046	0.4
173.00972	3.5
173.04561	0.6
191.02008	18.8
191.05635	37.5
192.02411	0.6
192.05965	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	187.1342
Annotation	3-Hydroxydecanoic acid
Peak:m/z	Relative Intensity
57.03452	0.4
59.01381	100.0
60.01722	2.0
60.99316	0.4
61.98836	1.7
63.88313	0.2
68.99825	0.2
69.03474	0.3
71.01398	0.9
71.05025	0.2
73.02979	0.3
80.32459	0.2
81.90047	0.2
83.05035	0.4
85.02940	0.3
87.92572	0.6
90.53943	0.2
96.99341	0.5
97.02942	0.3
97.06614	0.9
99.00899	0.5
99.92600	0.2
111.00902	0.2
118.03016	0.2
123.08180	0.6
123.94644	0.7
125.06104	0.6
125.09743	7.8
126.10116	0.6
127.00431	0.4
127.04015	0.2
141.12846	1.0
141.86830	4.1
143.07100	0.6
144.04582	0.9
152.54330	0.2
159.87875	3.1
160.04044	0.3
168.88832	0.3
168.97775	0.3
186.89952	0.4
186.95659	0.3
187.03976	0.9
187.06090	0.6
187.07727	1.3
187.09779	4.7
187.13414	18.8
187.86047	0.3
188.03529	1.3
188.10124	0.3
188.13757	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	187.1342
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
52.48891	0.3
53.76231	0.3
57.03449	0.5
59.01383	1.9
61.98840	0.4
68.45795	0.3
71.01389	0.5
76.06636	0.3
84.02207	0.3
87.92564	0.5
97.06599	0.3
106.96384	0.3
113.09755	0.3
125.09759	3.5
126.34135	0.3
132.98186	0.4
139.11327	3.8
141.12878	100.0
141.86864	0.9
142.13210	8.6
143.07045	0.4
169.12347	2.4
185.11874	1.7
187.10010	2.0
187.13414	88.1
188.03609	0.4
188.13748	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	187.1342
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
57.03450	10.6
59.01091	0.8
59.01383	12.5
61.98841	5.3
64.99691	0.7
68.99893	0.7
71.01381	2.2
71.05029	7.2
72.92638	0.7
73.02974	1.5
73.28930	0.7
80.56818	0.7
81.31532	0.7
83.01393	1.1
83.05039	1.3
84.02176	2.5
85.02949	0.8
87.00892	0.9
87.92557	2.1
88.98784	0.9
89.02453	1.0
90.97162	0.8
96.99330	1.1
97.06593	2.9
99.00911	1.2
99.04497	0.9
103.92052	0.8
113.09734	2.8
115.03982	0.9
115.07690	1.7
115.92111	1.4
116.05147	0.7
122.89444	0.7
123.08157	1.6
123.94660	1.9
124.52351	0.8
125.02481	0.9
125.06086	1.6
125.09743	25.6
126.10078	1.8
139.11308	1.4
141.12880	91.6
141.86836	10.7
142.01520	0.6
142.13197	7.8
143.07040	1.5
143.10745	1.3
143.14464	0.9
144.04585	1.6
151.11301	5.8
159.87907	9.7
160.03993	0.8
167.10828	0.9
168.88878	1.7
168.97778	1.5
169.12366	22.1
170.12694	2.2
185.11829	7.1
186.90002	1.8
186.95607	1.4
187.04050	2.9
187.06136	2.1
187.07715	3.1
187.09785	16.7
187.13412	100.0
187.86029	1.3
188.03555	2.4
188.07217	0.9
188.10167	1.3
188.13759	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	187.1342
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
50.62487	0.1
54.22010	0.2
57.03443	0.5
59.01389	2.6
61.98828	0.5
68.99816	0.3
71.01376	1.0
71.05008	0.2
71.20147	0.6
81.60241	0.2
83.05037	0.3
85.02972	0.5
87.92545	0.4
93.85883	0.2
96.99316	0.5
97.06601	0.8
99.00891	0.4
99.08167	0.2
103.92059	0.4
115.04053	0.2
118.56533	0.2
122.89439	0.2
123.08171	0.5
123.94677	0.6
125.06057	0.5
125.09750	6.9
126.10089	0.5
127.07603	0.2
127.11328	3.6
128.11710	0.2
133.28761	0.2
141.12885	2.7
141.86844	1.5
143.07010	0.5
143.10828	0.3
144.04510	0.3
145.08743	0.5
146.06123	0.7
155.00046	0.3
159.04506	0.3
159.87898	1.2
160.04050	0.4
168.88959	0.4
169.12373	1.9
170.12740	0.2
172.05379	0.3
185.11888	1.0
187.04039	0.8
187.07729	1.3
187.09810	4.6
187.13416	100.0
187.86145	0.3
188.03508	0.5
188.07188	0.5
188.10136	0.3
188.13750	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	187.0978
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
51.86186	0.5
53.89861	0.3
57.91931	0.4
59.01384	100.0
60.01717	1.8
70.87439	1.1
70.87799	0.7
77.08617	0.4
78.25935	0.4
78.55398	0.4
99.08176	23.8
100.08521	1.5
125.09724	2.1
127.00916	0.5
127.07675	19.7
128.08032	1.4
145.08733	95.9
146.06145	0.6
146.09074	6.9
187.07634	0.8
187.09743	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	186.9654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.8
60.99308	18.0
68.44887	0.4
78.95911	1.6
87.92545	7.7
88.98820	100.0
89.99165	2.1
103.92049	2.8
105.93594	1.1
110.89935	1.3
110.98555	1.0
112.89675	0.7
114.98038	1.4
123.94663	1.7
154.42279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0613
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
55.01872	1.0
57.03443	1.0
59.01384	9.3
61.98827	0.5
68.99801	0.7
69.03466	0.5
70.10913	0.8
70.11337	1.5
71.01033	0.4
71.01375	2.3
71.05021	0.8
72.99323	0.7
73.02957	0.6
78.95923	0.5
80.99816	0.7
81.03462	0.6
81.07118	1.0
83.01408	1.4
83.05031	1.2
85.02956	1.2
87.00896	0.7
87.92544	13.7
88.98831	2.2
95.05032	1.6
97.02982	1.4
97.06607	3.1
98.20589	0.5
98.99124	0.9
99.00900	7.2
99.04535	0.7
99.08184	1.7
103.92048	7.8
104.92848	0.5
105.93597	2.7
111.00906	1.0
112.04033	0.9
113.04440	0.9
113.06110	10.0
114.89816	0.4
115.04046	0.7
119.91543	0.8
122.51695	0.4
123.08176	0.6
123.94673	16.0
124.98827	0.5
125.02473	3.3
125.06106	20.8
125.09748	12.7
126.06441	1.1
126.10084	1.3
127.00366	1.2
127.04012	1.0
139.04036	12.2
140.04332	0.5
141.05608	1.6
143.07162	88.0
144.04558	1.5
144.07510	5.8
154.99875	0.7
159.04538	1.1
168.88939	1.3
169.05087	100.0
170.05435	7.8
186.89989	0.9
186.98056	0.6
187.02571	1.2
187.04225	1.5
187.06152	44.5
187.07639	2.3
187.09669	5.7
187.13380	2.2
188.03636	0.8
188.06450	3.3
188.10248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1185
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03456	1.4
59.01383	1.4
65.80518	0.7
69.03474	1.0
70.89552	0.9
71.05022	2.3
71.26554	1.1
71.26893	1.7
73.36918	0.7
77.76862	0.9
83.01384	0.8
83.05074	1.5
85.06599	0.9
96.97012	1.1
97.02985	0.9
97.06630	1.5
108.52382	0.7
112.98804	1.2
123.04493	0.8
123.08133	0.9
125.09777	1.0
139.11317	29.8
140.11597	1.4
141.09236	3.7
141.12936	1.0
142.06676	5.2
167.10776	1.1
169.39336	0.7
185.04655	1.3
185.11852	100.0
186.05588	0.8
186.12242	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	183.1756
Annotation	2-Dodecanone
Peak:m/z	Relative Intensity
55.01877	1.1
57.03432	1.7
59.01377	3.2
61.98814	1.1
64.69276	0.6
67.01891	2.8
68.99574	48.1
69.03452	1.8
71.01379	2.7
71.05036	0.9
71.26388	1.3
73.02937	0.6
78.80693	0.6
82.92274	0.6
83.01399	2.3
83.05041	1.8
84.02187	0.8
84.04519	0.7
85.02972	1.2
89.02434	1.0
91.02890	0.6
93.03475	0.7
94.03052	0.9
95.01395	2.5
95.05038	1.3
96.99303	0.7
97.02971	1.9
98.02485	2.3
101.02471	1.6
107.01423	0.7
107.71921	0.7
109.02971	1.8
111.00899	4.7
111.04536	1.9
112.00438	2.1
112.04072	2.4
112.98579	57.8
113.02497	1.0
113.98943	0.9
116.92833	0.9
121.03921	0.6
121.06589	1.2
122.02450	0.6
123.00840	1.1
124.01692	1.4
124.04073	2.0
124.98763	0.7
125.02495	1.0
137.02444	1.4
139.00362	2.8
139.04037	2.5
139.07632	1.4
139.11354	1.7
139.99837	0.8
140.07179	2.8
141.27397	0.6
151.00407	0.8
152.98311	1.3
153.00618	0.6
155.14433	2.4
164.98277	1.8
165.02002	3.8
168.00645	2.1
179.14380	1.5
181.15999	12.5
182.16357	1.6
182.99165	1.7
183.00597	1.0
183.03001	2.3
183.06448	0.8
183.07759	1.1
183.10266	2.9
183.14088	6.5
183.17557	100.0
184.06145	3.4
184.17905	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	183.03
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62523	0.2
55.01882	4.2
59.01414	0.2
64.03271	0.3
66.32430	0.2
69.03462	1.9
69.84766	0.4
69.85179	1.0
71.05029	20.6
72.05347	0.8
73.09968	0.2
80.02695	0.3
83.01402	1.1
92.50478	0.3
93.03474	1.5
95.05042	37.6
96.05373	2.1
97.02967	52.6
98.03300	2.8
98.19926	0.3
115.04033	16.5
116.04361	0.9
121.02990	0.7
123.00897	1.0
124.01698	0.5
130.49109	0.3
137.02475	0.7
139.04034	100.0
140.04378	6.6
165.01961	4.7
166.02303	0.3
183.03008	37.5
184.03368	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	183.0301
Annotation	Leiocarpic acid
Peak:m/z	Relative Intensity
52.57347	0.4
55.01868	3.3
58.65551	0.4
59.01367	0.9
60.14713	0.4
67.01920	0.5
69.03458	2.9
71.01396	0.6
71.05024	21.5
71.40991	1.4
71.70876	0.5
72.05350	0.7
78.49390	0.5
78.95908	0.9
80.36081	0.4
83.01378	1.5
85.02953	1.0
93.03462	2.8
95.01413	1.4
95.05038	37.3
96.04530	0.5
96.05381	2.7
96.96929	0.5
97.02965	58.6
98.02542	0.9
98.03313	2.1
109.02991	0.8
109.11246	0.4
110.02505	0.6
111.00874	0.5
111.04512	0.8
112.04064	1.2
115.04031	13.9
115.42074	0.4
115.45732	0.4
122.06144	1.1
123.00884	1.2
123.03347	0.5
123.04519	0.7
124.01645	0.9
124.04066	0.6
137.02461	2.3
137.04790	0.5
138.05632	20.6
139.04033	100.0
140.04378	7.0
140.07234	1.6
141.09178	0.5
150.03154	0.5
151.04085	0.9
152.98288	1.0
164.98264	0.4
165.01956	9.2
166.02336	0.6
168.00702	1.0
183.03008	34.1
183.06580	1.3
183.10295	1.2
183.99977	0.5
184.03424	2.7
184.06224	1.8
195.02841	0.6
196.12636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.03
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
59.01383	0.3
64.05994	0.2
67.01875	0.3
69.03465	2.4
71.05028	21.8
72.05364	0.6
80.02676	0.3
83.01386	1.2
93.03461	1.4
95.01417	0.5
95.05040	36.9
96.05362	2.1
97.02966	54.3
98.02643	0.4
98.03296	2.3
99.00909	0.5
111.04523	0.4
115.04029	15.5
116.04337	0.7
116.99767	0.2
121.02997	0.8
123.00888	1.5
124.01686	0.4
137.02486	1.0
139.04033	100.0
140.04366	6.5
140.07251	0.3
152.98486	0.2
164.01056	0.2
165.01958	4.6
168.00612	0.4
183.03004	38.1
183.10263	0.8
184.03325	2.9
184.06140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.94504	0.1
56.98035	0.5
57.03460	0.2
58.00591	0.4
59.01381	7.0
71.01389	6.0
71.48026	0.3
72.24108	0.1
72.99304	0.3
73.02975	0.3
74.99109	0.2
83.01404	0.2
85.02968	0.9
87.00891	1.8
89.02458	3.1
89.04001	0.5
91.05547	0.9
93.03483	0.3
94.03018	0.2
95.01409	0.3
97.03003	0.2
99.00922	0.5
101.02449	1.0
106.04286	0.3
106.08895	0.2
107.05043	1.8
108.02184	0.2
109.02970	0.3
113.02472	0.7
117.01970	0.4
117.03481	0.8
121.02992	0.3
123.04517	0.2
125.02470	0.2
126.43620	0.2
133.02975	0.2
134.02719	0.2
134.03770	7.4
135.04546	100.0
136.04875	7.8
151.04031	0.2
161.04578	1.1
164.01213	0.2
164.04805	0.3
179.03520	18.9
179.05582	1.3
180.03859	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	182.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96501	0.3
53.37125	0.2
54.79607	0.2
69.03461	0.3
71.01390	0.3
71.68353	0.3
71.68693	0.6
88.30403	0.2
92.05084	3.2
93.03436	0.4
94.03020	1.6
95.05025	0.3
96.96017	0.4
99.41837	0.3
108.04573	47.5
109.04883	2.2
110.06162	0.4
120.04581	3.8
121.06555	0.3
122.02513	1.1
123.03278	1.1
136.04114	0.8
138.05637	100.0
139.04140	0.3
139.05988	6.2
152.03519	0.5
182.04617	27.6
183.03329	0.5
183.04970	2.4
183.06509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27433	0.2
55.01881	0.4
57.03435	0.6
58.00588	1.1
59.01382	18.4
60.01699	0.3
63.02389	0.4
69.03468	0.5
69.63171	2.2
71.01389	16.4
72.01733	0.6
72.99314	0.9
73.02952	0.9
75.35077	0.3
81.23264	0.2
83.01397	0.8
85.02964	2.3
87.00890	5.8
89.02455	8.4
89.03976	0.5
91.05534	0.8
93.03489	0.5
94.02998	1.1
95.01406	0.8
96.96979	0.5
97.02968	0.5
98.99849	0.3
99.00888	1.4
101.02455	2.4
106.04282	0.4
107.01409	0.5
107.05038	2.0
108.02203	0.4
108.04585	0.4
109.02983	0.4
113.02482	1.5
115.79571	0.2
117.01969	1.0
117.03469	0.6
118.28104	0.3
119.03503	0.3
119.17142	0.3
121.03023	0.4
125.02458	0.9
134.03761	7.1
135.04547	100.0
136.04881	7.6
136.07664	0.3
140.09489	0.3
141.01974	0.6
146.03758	0.4
151.00404	1.3
151.04044	0.5
161.04588	4.1
162.04892	0.4
164.01152	1.4
164.04849	0.5
169.01474	0.6
177.93443	0.3
178.99904	0.9
179.03534	18.9
179.05609	4.1
179.07068	0.5
180.03952	1.9
180.06776	0.3
182.89076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
56.53145	0.2
59.01381	4.3
61.04938	0.2
63.02387	0.9
63.89235	0.2
65.00348	0.3
69.73425	1.4
71.01390	2.8
72.99322	0.2
73.02936	0.2
76.14590	0.2
83.01414	0.5
85.02972	0.3
87.00892	1.7
89.02446	1.3
89.03979	0.2
90.02830	0.2
91.05553	0.6
101.02451	0.4
106.04287	0.4
107.01404	0.8
107.05058	2.1
113.02438	0.2
117.01936	0.3
117.03482	0.9
121.02933	0.2
127.86555	0.2
134.03769	7.2
135.04546	100.0
136.03862	0.4
136.04881	7.4
151.00394	1.7
161.04573	0.8
162.57448	0.2
169.01411	0.4
169.41617	0.2
179.00142	1.0
179.03522	19.4
179.05545	0.9
180.03880	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	175.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28852	0.7
57.03450	1.4
59.01380	15.7
68.99819	1.0
69.03491	0.7
71.01388	12.9
71.03403	1.5
71.03776	1.4
72.99335	0.8
73.02965	1.4
81.03481	1.0
83.05031	1.1
85.02950	3.4
85.06600	24.6
86.06946	1.2
87.00893	2.7
93.03479	2.4
101.06097	14.4
111.04532	0.9
113.06106	55.5
114.06468	3.8
115.00384	2.5
115.04037	4.3
115.07635	1.0
115.92100	0.7
124.98786	0.7
127.07665	1.0
129.04678	1.3
129.05609	22.1
129.09242	8.0
130.05878	1.5
130.06720	0.8
131.03539	1.2
131.05064	1.6
131.07161	31.3
132.04506	0.7
132.07501	1.4
135.04550	3.2
150.16914	0.8
160.01691	0.8
174.89008	5.4
175.03984	3.7
175.06171	3.8
175.09781	100.0
176.03619	2.0
176.07169	0.9
176.10100	9.0
179.03523	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	179.0346
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
54.33783	0.3
58.00594	1.0
59.01381	14.8
60.01740	0.4
69.03477	0.4
70.72870	1.4
71.01389	11.5
72.01751	0.5
72.99309	1.0
74.07437	0.4
83.01408	0.7
85.02956	1.5
87.00890	4.5
89.02459	6.6
89.03986	0.6
91.05550	0.9
93.03472	0.6
97.68823	0.3
98.19872	0.4
99.00905	0.9
101.02458	1.4
107.05058	3.1
108.02171	0.6
113.02487	0.6
117.01937	0.8
117.03506	1.0
117.85977	0.4
125.02479	0.5
134.03767	14.0
135.04549	100.0
136.04866	6.2
141.01987	0.6
159.28079	0.4
161.04581	2.6
164.01146	1.1
164.04825	0.6
179.03542	14.9
179.05611	2.5
179.06976	0.6
180.03818	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	175.0615
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03437	1.3
59.01380	22.7
65.03987	0.5
65.88270	0.4
67.01883	1.9
68.99815	0.8
69.03466	0.4
70.91465	1.2
71.01395	2.5
72.06723	0.4
72.99314	0.5
73.02957	1.2
75.00868	0.6
76.95480	0.5
81.03458	0.8
81.54166	0.5
83.05028	1.3
84.65949	0.4
85.02948	3.1
85.06601	26.7
86.06923	1.5
87.00887	100.0
87.04520	6.5
88.01223	3.2
93.03471	12.0
101.02462	8.9
102.02805	0.5
109.03001	0.7
111.00900	0.8
111.04530	1.7
112.01692	0.5
113.06107	20.7
114.06439	1.5
115.00399	0.8
115.04030	1.3
124.98855	0.6
127.04089	0.5
129.05597	2.1
131.07153	1.2
131.51453	0.5
133.02995	0.9
133.05064	0.7
134.03751	1.3
135.04555	23.3
136.04800	0.6
137.02489	2.5
140.03488	0.5
155.03491	0.8
157.05096	2.2
161.02524	2.4
173.04594	2.3
173.70386	0.4
174.07098	0.6
174.88985	1.4
175.06152	38.1
176.04137	2.5
176.06430	2.5
179.03540	17.1
179.05128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0978
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
59.01379	9.5
69.03452	1.0
69.70164	3.5
70.57607	0.4
71.01045	0.4
71.01384	2.4
72.99320	0.7
73.02949	0.8
73.41257	0.5
83.05029	0.8
85.02965	17.0
85.06599	22.7
86.03288	1.0
86.06942	1.1
87.00895	1.2
93.03473	1.0
101.06099	18.2
102.06432	1.3
113.06107	48.5
114.06441	2.9
115.00371	1.3
115.04041	2.0
115.07681	1.2
124.51910	0.4
127.07685	0.5
129.05611	33.3
129.09250	5.7
130.05925	1.9
131.03540	0.6
131.05080	0.9
131.07172	31.7
132.07530	1.8
135.04549	1.4
136.23105	0.5
157.08723	0.7
174.89040	2.1
175.04051	1.4
175.09785	100.0
176.03505	0.5
176.10135	8.4
179.03471	0.6
189.51723	0.5
192.09529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0822
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
50.32869	0.3
54.33020	0.2
57.03445	1.2
58.00611	0.4
59.01381	93.7
60.01714	1.8
60.99314	0.8
65.03960	0.6
67.01891	5.7
69.03465	1.6
69.49514	0.3
69.64573	1.1
69.65012	1.1
71.01385	3.4
72.99339	0.7
73.02959	5.8
74.03311	0.3
78.46699	0.3
78.99236	0.3
81.03458	1.5
83.01395	0.4
83.05026	3.5
85.02972	1.6
85.06601	20.8
86.06946	1.1
93.03472	32.0
94.03792	2.2
99.00892	1.6
99.04546	1.9
101.02451	0.4
101.09676	0.3
109.03008	0.6
111.00919	0.5
111.04539	7.1
111.08154	1.9
111.80502	0.3
113.06104	12.6
114.06433	0.6
129.01970	0.6
129.05620	0.6
130.06689	0.3
131.07162	100.0
132.07495	5.7
137.02451	3.3
140.17284	0.4
143.03531	0.6
155.03514	1.8
173.04584	14.4
173.08188	1.8
173.11928	0.3
174.01941	0.5
174.04955	1.0
174.07646	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	175.0614
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03453	2.2
59.01373	6.0
61.13369	0.4
61.86078	0.5
67.01891	0.6
68.99839	0.7
71.05022	0.7
81.66870	0.6
85.02981	1.0
85.06596	43.3
86.06932	1.6
87.04509	1.1
93.03474	2.2
113.06104	42.0
114.06413	2.7
115.04026	100.0
116.04365	5.7
124.98800	0.6
129.05605	2.1
131.07172	8.0
133.21346	0.5
135.04521	4.2
146.49350	0.5
157.05101	9.2
158.05412	0.7
161.02454	0.5
175.06136	55.4
176.03882	0.8
176.06482	3.6
179.03474	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0457
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
55.01885	6.4
57.03446	2.6
58.00585	2.2
58.14861	0.8
59.01389	5.8
63.82655	0.8
65.03963	2.4
67.01888	1.6
68.43017	0.8
69.03463	2.6
71.01390	47.2
71.04991	1.1
71.10678	1.3
71.11014	1.5
71.43267	0.8
72.01710	1.3
72.99311	2.9
73.02955	52.8
74.03292	1.6
80.99847	1.0
81.03471	8.6
83.01392	4.2
83.05035	21.2
83.32014	0.8
85.02966	9.4
87.00890	3.4
93.03473	100.0
94.03811	7.5
96.99303	1.5
99.00901	27.9
99.04540	16.1
100.01212	1.4
101.02441	1.9
109.02982	1.8
111.00900	6.9
111.04546	35.6
112.04844	3.4
112.98833	25.9
113.02428	1.3
113.99166	0.9
115.00394	2.0
124.98836	10.9
129.01974	7.2
137.02466	29.1
138.02748	2.0
142.99890	33.9
143.01019	1.9
143.03523	4.9
144.00169	0.9
155.03535	9.1
173.00957	4.9
173.04579	16.8
174.04930	1.9
190.57190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0457
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
57.03448	2.6
58.00606	0.5
59.01381	4.0
59.65218	0.3
60.93115	0.3
60.99301	1.2
62.34809	0.3
65.03949	0.3
67.01898	14.3
68.02243	0.5
69.03457	3.3
71.01388	8.6
71.05066	0.4
71.18240	0.7
73.02962	1.1
81.03461	2.4
83.01366	0.4
83.05033	2.7
85.02959	1.6
86.53529	0.3
87.00900	0.5
93.03473	64.8
94.03793	3.4
97.02956	0.3
99.00883	0.8
99.04539	0.7
109.02975	2.4
111.00887	1.2
111.03801	0.7
111.04544	10.5
112.04904	0.9
113.02460	0.8
124.25910	0.3
126.12071	0.3
127.04001	0.6
129.01956	0.5
137.02432	1.9
155.03516	1.9
173.04575	100.0
174.04901	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	173.0458
Annotation	Shikimate
Peak:m/z	Relative Intensity
53.00317	1.2
55.01878	5.2
57.03452	5.2
58.00602	2.0
58.02983	1.6
58.60718	0.9
59.01389	7.0
60.99313	1.4
65.03972	2.1
65.75978	0.8
67.01901	6.5
68.99831	2.0
69.03471	3.8
69.86639	4.1
71.01392	49.5
71.05034	1.5
72.01746	1.4
72.99324	6.0
73.02958	48.7
73.31284	0.8
74.03288	1.6
78.95924	2.5
80.99824	1.4
81.03476	6.3
83.01395	5.6
83.05039	17.2
84.05376	0.9
85.02967	32.0
86.03314	1.5
87.00903	5.1
93.03475	100.0
94.03800	5.7
96.96980	5.2
96.99325	3.1
99.00907	22.1
99.04533	12.6
100.07693	0.8
101.02476	2.0
109.02972	2.0
111.00908	46.2
111.04543	32.9
112.01246	2.0
112.04855	1.6
112.98835	44.6
113.99130	2.0
115.00394	3.0
124.98834	11.3
125.99189	0.9
128.07208	2.8
129.01952	8.8
132.06729	0.9
137.02478	22.9
138.02823	1.5
140.98346	2.4
142.99893	54.1
143.03549	5.6
144.00226	2.7
154.94765	1.0
154.99884	2.3
155.03531	10.1
173.00919	4.5
173.04593	26.6
174.04956	1.0
174.07777	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	173.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	3.1
55.01881	6.7
56.99833	0.9
57.03453	4.7
58.00603	2.2
58.03000	1.0
59.01385	9.0
60.99309	1.0
61.63065	0.9
62.40645	1.0
65.03960	2.8
66.91613	0.8
67.01895	3.9
68.99820	3.2
69.03458	1.5
70.20647	2.9
70.21054	1.9
71.01389	72.0
71.05035	1.8
72.01701	1.8
72.99306	5.9
73.02953	50.8
78.95925	1.0
80.99841	1.7
81.03460	6.2
83.01398	9.0
83.05037	19.3
85.02959	15.9
87.00896	9.0
93.03471	100.0
94.03819	4.5
96.96992	2.0
96.99320	3.7
99.00896	32.7
99.04532	13.0
100.01231	1.1
100.04849	1.1
101.02488	1.6
109.02971	2.5
111.00909	22.2
111.04539	32.0
112.04856	1.6
112.98830	66.2
113.99175	3.1
115.00365	5.3
124.98832	22.5
129.01981	5.3
137.02473	23.9
138.02824	1.4
140.98320	2.5
142.99890	95.0
143.03516	5.6
143.99213	0.9
144.00208	5.3
155.03535	10.5
173.00990	6.3
173.04575	21.0
174.04915	1.5
174.07744	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	173.0095
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00304	1.6
55.01885	7.5
55.03419	0.5
57.03447	4.0
58.00589	2.0
59.01387	7.8
60.99318	0.7
65.03973	2.9
67.01905	2.7
68.02298	0.7
68.99825	2.5
69.03461	2.5
70.54338	2.2
71.01391	85.9
71.05025	1.4
72.01731	2.6
72.99328	4.5
73.02958	50.6
74.03280	1.2
80.99815	1.2
81.03471	7.6
82.42619	0.7
83.01396	8.8
83.05038	18.2
84.05380	0.9
84.99329	0.7
85.02959	14.0
87.00889	5.7
93.03474	100.0
94.03798	5.4
96.96970	0.8
96.99332	3.1
97.02969	0.8
99.00899	36.6
99.04541	13.4
100.01252	1.6
100.04870	0.7
101.02493	1.4
105.50169	0.7
105.72940	0.6
109.02966	1.8
111.00900	14.0
111.04539	33.1
112.04861	2.2
112.98834	41.2
113.99157	2.2
115.00410	3.3
124.98837	20.3
125.99176	1.0
128.46448	0.6
129.01978	5.8
137.02480	25.8
138.02791	1.6
140.98325	1.1
142.99887	60.9
143.03523	3.6
144.00243	3.2
144.01167	0.6
151.84303	0.6
154.94737	1.6
154.97220	0.8
154.99870	1.8
155.03535	8.7
173.00980	9.8
173.04573	17.2
174.04865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1393
Annotation	8-methyl Nonanoic acid
Peak:m/z	Relative Intensity
70.48337	1.1
85.13099	0.3
109.52376	0.3
122.02470	0.3
132.91080	0.3
153.12891	0.3
171.13928	100.0
172.12790	0.6
172.14262	8.9
175.15486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0982
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
53.37830	0.2
57.03445	1.3
58.02975	1.3
59.01384	2.3
60.99299	1.4
63.39961	0.2
65.03965	0.3
67.01897	7.5
69.03458	1.7
70.91800	0.7
71.01383	5.3
71.05048	0.3
72.99316	1.1
73.02953	4.6
75.00880	0.4
81.03471	1.8
82.06639	0.4
83.01398	0.5
83.05037	2.2
84.02163	0.3
85.02967	2.1
93.03470	42.8
97.02986	0.5
98.15097	0.2
99.00905	1.7
99.04543	1.4
100.07682	0.3
101.02452	0.4
109.02959	1.3
111.00903	0.9
111.04539	6.6
111.08199	1.1
113.02453	0.4
115.03992	0.3
127.04063	0.4
127.07671	0.5
128.08075	0.3
128.10838	3.1
129.01965	0.7
130.08760	100.0
131.07129	0.3
131.09111	5.6
137.02483	3.2
142.99843	0.3
143.03630	0.3
144.04590	1.2
145.01492	0.8
145.92224	0.3
155.03539	1.4
172.04044	0.6
172.09808	16.7
173.04575	39.3
173.08264	1.3
173.10075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.9789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	90.3
60.01713	1.8
60.99308	7.8
64.35596	0.9
70.06808	5.1
70.95309	0.8
71.01378	1.8
72.99310	4.4
73.98592	3.6
74.99379	16.6
75.99461	1.8
78.95911	96.2
79.60403	0.9
88.98815	42.7
96.47368	0.8
96.95985	1.9
96.96976	66.6
99.00648	7.8
109.02955	2.1
114.73035	0.8
117.00462	100.0
118.00541	10.6
126.98847	1.0
127.04028	1.5
128.96841	5.4
136.35193	0.9
170.97868	48.1
171.00627	6.4
171.10349	1.2
171.97961	6.6
186.88124	0.9
188.55916	0.9
190.13232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1601
Annotation	2-Undecanone
Peak:m/z	Relative Intensity
54.82833	0.7
57.03452	100.0
58.03788	2.3
65.82291	0.7
68.99822	0.9
69.03468	6.5
70.31937	3.8
71.01386	1.1
83.01417	1.2
83.05053	0.9
91.92284	0.7
97.02990	2.8
97.06627	1.4
98.20527	0.9
107.05086	0.7
110.33897	0.8
118.72375	0.7
125.02467	26.3
125.06144	1.6
125.09767	2.4
126.02834	2.3
128.07214	6.4
140.03595	2.2
141.12845	3.8
151.00436	1.9
151.11301	1.1
153.12856	4.0
167.14467	1.4
169.00053	0.7
169.01450	12.2
169.05113	1.1
169.12465	2.0
169.16003	79.9
170.01828	0.9
170.04639	1.9
170.08348	0.8
170.16324	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	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
58.02977	100.0
59.02678	0.4
59.03312	2.1
65.00322	0.3
69.03459	0.6
69.48698	1.2
69.49126	1.6
70.02984	0.3
75.87614	0.3
82.03000	1.0
83.05062	0.3
97.02955	1.1
98.00980	0.4
98.19871	0.5
108.04572	0.4
124.04012	0.3
125.02467	6.6
125.06128	0.3
125.09760	0.8
151.11348	0.5
153.01518	0.5
167.14452	0.4
168.06677	0.5
168.13950	9.9
169.01447	2.6
169.05177	0.4
169.12379	0.7
169.14287	1.0
169.16006	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	169.1237
Annotation	2-exo-Hydroxy-1,8-cineole
Peak:m/z	Relative Intensity
50.54060	1.1
50.65494	1.0
52.10427	1.1
53.00310	0.9
57.03452	7.0
59.01369	2.5
66.11018	1.1
67.01891	1.6
68.99820	3.7
69.03458	7.3
71.01407	1.4
71.05038	1.2
71.69781	1.2
79.01916	1.5
81.03464	3.1
83.01389	2.8
84.42059	1.4
85.02967	1.3
87.00878	3.2
88.00439	1.4
95.01411	2.1
95.05048	2.7
96.99306	1.4
97.02962	9.1
97.06587	3.0
97.93159	2.6
98.02485	2.4
99.04562	2.0
107.05037	2.6
109.02956	2.8
109.06693	1.4
121.89558	1.1
122.89440	1.7
123.00867	1.3
123.04539	1.6
125.02467	100.0
125.06091	5.1
125.09738	6.4
126.02823	5.7
128.07201	20.2
134.46161	1.2
139.00346	1.5
139.04066	1.4
140.03580	4.9
141.01872	2.1
151.00375	4.0
153.99112	4.3
167.14415	2.8
168.99129	1.8
169.01453	39.6
169.03726	1.6
169.05177	5.9
169.06310	1.6
169.08769	2.6
169.12363	71.4
169.15993	22.1
170.01830	2.8
170.04568	5.9
170.08275	3.3
170.12727	8.5
170.16310	2.4
180.69266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60633	0.3
55.01868	0.3
58.58561	0.4
65.00333	1.0
69.69376	1.5
69.69803	1.1
79.64698	0.3
80.02677	1.5
81.03466	1.8
83.01381	0.8
87.40434	0.4
91.01910	6.3
92.02229	0.6
95.01381	0.9
95.05012	0.9
96.95995	0.5
107.01369	0.5
108.02190	51.1
109.02481	2.8
111.00905	0.5
112.89368	0.3
123.00901	1.1
123.04545	33.4
124.01676	1.3
124.04886	2.8
125.02500	1.0
139.00534	0.4
152.01176	100.0
153.01505	6.4
167.03519	32.4
167.07254	0.9
168.03920	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	164.0719
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
55.26487	0.6
71.03233	1.5
72.00912	37.2
72.25212	0.5
72.99325	1.2
73.01279	0.5
87.00893	0.9
91.05539	2.9
103.05564	1.3
106.38065	0.6
118.06605	0.8
119.05021	2.9
121.02950	3.6
125.65215	0.5
147.04544	100.0
148.04855	7.5
164.07185	48.6
164.09200	0.8
165.01886	0.9
165.04243	0.7
165.05600	2.2
165.07556	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	165.0408
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
55.01876	1.5
57.03440	0.9
58.00584	0.7
59.01379	8.5
60.99302	2.6
63.11750	0.6
70.87103	2.1
71.01392	6.7
72.99310	6.2
73.02956	3.1
75.00883	34.5
85.02952	1.0
87.00885	100.0
88.01208	3.6
88.98818	15.9
89.02448	3.6
89.99153	0.6
92.93328	4.6
95.84834	0.6
99.00895	10.7
101.02473	5.0
105.01947	90.7
106.02290	2.4
117.01930	4.0
119.03496	1.1
119.05021	0.8
121.02943	0.6
129.01970	3.4
135.03038	2.4
147.03009	12.0
147.04523	1.9
157.28281	0.5
165.04060	78.9
166.04401	4.0
167.97302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0719
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.08027	0.3
57.01505	0.3
62.05964	0.3
69.61115	3.0
69.86220	0.3
72.00915	33.3
72.99310	2.9
73.01257	0.6
77.03998	0.4
84.51564	0.3
84.73508	0.3
85.02957	0.3
87.00859	0.4
91.05535	2.1
93.03485	0.4
103.05544	0.7
111.21766	0.3
119.05032	4.4
120.04620	0.6
120.05413	1.1
121.02969	5.4
137.02444	0.4
147.04546	100.0
148.04877	8.2
156.62326	0.4
164.07188	51.2
165.01971	0.8
165.05580	3.5
165.07555	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	164.0356
Annotation	Formylanthranilate
Peak:m/z	Relative Intensity
59.01363	0.9
62.61506	0.3
65.03971	0.4
68.99805	0.7
71.01396	0.9
71.69519	0.3
71.69948	0.5
72.00900	0.9
72.99316	16.9
75.00886	0.4
77.03973	4.9
81.03475	0.4
84.34126	0.3
86.03283	0.3
87.00912	2.1
89.02456	0.5
91.05537	0.6
92.05075	1.2
92.99860	0.4
93.03472	91.2
94.02973	0.6
94.03805	5.0
96.96039	0.4
101.02478	0.6
101.03989	0.7
105.01958	1.9
108.02216	0.6
109.02946	1.4
117.03435	0.3
118.03015	36.2
119.03339	2.3
119.05050	20.0
120.04563	2.5
120.05382	7.7
121.02977	100.0
121.06608	1.2
122.03754	0.6
123.04508	0.6
133.62723	0.3
135.04547	0.4
136.04068	61.8
137.00739	0.4
137.02475	7.7
137.04404	4.1
137.06061	0.5
138.02817	0.4
147.04547	61.4
149.00986	0.8
150.03252	5.4
164.00754	0.6
164.03484	6.8
164.07230	2.8
164.89572	1.8
165.00513	0.6
165.01956	13.1
165.04112	2.6
165.05576	24.3
165.07776	0.7
165.09119	1.6
178.52704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
55.65485	0.3
57.03468	1.7
58.00594	0.5
58.24883	0.3
59.01384	7.1
68.99834	0.4
69.03468	0.7
71.01392	13.9
71.05035	2.6
71.69234	0.5
72.01728	0.5
72.99319	6.4
73.02956	100.0
74.03289	3.1
74.99109	0.4
75.00880	2.5
78.98589	0.7
79.95744	0.4
80.96542	0.3
81.03471	9.6
81.11625	0.3
83.01399	7.3
83.05028	3.9
84.02165	0.7
85.02969	1.8
87.00899	2.6
87.04523	3.9
89.02460	3.2
92.05090	0.5
93.03473	0.7
99.04537	20.2
100.04863	1.1
101.00716	0.3
101.02463	6.1
101.06127	0.5
103.00401	2.7
103.04025	3.0
109.02970	1.2
112.98863	0.7
117.05599	1.3
119.05053	16.7
120.02100	0.4
120.04622	0.5
120.05389	1.3
122.68938	0.3
127.04058	0.4
136.03992	0.5
143.03566	2.1
145.01425	2.2
145.05096	31.6
145.89047	0.4
146.05437	2.5
162.89375	6.1
163.00392	1.2
163.02573	2.6
163.04039	2.5
163.06151	59.9
164.03564	0.5
164.06421	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0615
Annotation	Quinovose
Peak:m/z	Relative Intensity
55.01889	0.6
55.65485	0.3
57.03468	1.7
58.00594	0.5
58.24883	0.3
59.01384	7.1
68.99834	0.4
69.03468	0.7
71.01392	13.9
71.05035	2.6
71.69234	0.5
72.01728	0.5
72.99319	6.4
73.02956	100.0
74.03289	3.1
74.99109	0.4
75.00880	2.5
78.98589	0.7
79.95744	0.4
80.96542	0.3
81.03471	9.6
81.11625	0.3
83.01399	7.3
83.05028	3.9
84.02165	0.7
85.02969	1.8
87.00899	2.6
87.04523	3.9
89.02460	3.2
92.05090	0.5
93.03473	0.7
99.04537	20.2
100.04863	1.1
101.00716	0.3
101.02463	6.1
101.06127	0.5
103.00401	2.7
103.04025	3.0
109.02970	1.2
112.98863	0.7
117.05599	1.3
119.05053	16.7
120.02100	0.4
120.04622	0.5
120.05389	1.3
122.68938	0.3
127.04058	0.4
136.03992	0.5
143.03566	2.1
145.01425	2.2
145.05096	31.6
145.89047	0.4
146.05437	2.5
162.89375	6.1
163.00392	1.2
163.02573	2.6
163.04039	2.5
163.06151	59.9
164.03564	0.5
164.06421	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63075	0.2
59.01382	1.0
71.01371	0.2
72.00910	0.3
85.02974	0.3
91.01892	0.2
91.05549	9.9
91.56185	0.2
92.05087	0.3
92.05891	0.6
93.03452	1.3
98.20601	0.6
102.98621	0.3
111.28249	0.2
117.47771	0.2
119.05048	100.0
120.04527	0.4
120.05386	7.7
133.45427	0.2
135.00859	0.3
135.04550	1.4
138.88991	0.2
147.04512	0.8
162.89281	0.2
163.00398	0.6
163.04045	8.6
163.06189	0.5
164.04359	0.6
164.07224	0.6
165.01427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
50.82535	0.3
59.01383	2.8
61.27118	0.3
65.76585	0.3
69.94053	1.5
71.01377	1.2
73.88902	0.3
85.02960	1.3
91.01914	0.6
92.05059	0.5
93.03472	2.7
96.96039	1.3
101.02449	0.9
104.45828	0.4
119.05048	100.0
120.04559	0.8
120.05375	7.4
135.00920	0.6
135.04562	0.9
147.04504	0.4
162.89375	1.3
163.00386	2.8
163.04028	14.3
163.06155	1.4
164.01660	0.6
164.03413	0.8
164.04526	0.7
164.07164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01389	5.5
59.98515	0.6
69.03466	1.1
70.00322	3.9
71.01388	13.2
71.05029	22.7
72.05374	1.0
73.02948	4.6
81.03448	1.0
83.01392	2.0
83.10343	0.6
85.02972	7.2
87.04526	13.4
88.04849	1.1
89.02451	1.4
98.19864	0.8
99.04538	71.3
100.04880	3.8
101.02471	1.3
104.94395	0.6
113.02509	1.4
113.06081	1.1
115.04035	37.0
115.07671	8.6
116.04372	1.1
117.05602	36.8
118.05955	2.0
131.03496	3.2
133.03040	0.9
141.64296	0.8
161.04584	2.1
161.08228	100.0
162.08585	7.4
181.46118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0822
Annotation	Oleandrose
Peak:m/z	Relative Intensity
50.76266	0.8
57.03432	1.1
59.01389	4.1
60.94273	0.6
66.53470	0.7
69.03444	1.1
70.90558	2.2
71.01381	10.7
71.05026	26.0
72.01673	0.7
72.05359	1.0
73.02955	2.0
75.56629	0.7
81.03469	1.0
85.02980	3.3
87.04527	15.9
99.04536	71.7
100.04876	4.7
101.02411	0.9
101.06093	1.1
113.02524	1.0
113.06140	0.7
115.04033	40.1
115.07681	9.2
116.04366	2.1
117.05595	36.8
118.05948	2.1
131.03546	2.1
133.02956	1.7
156.84212	0.7
161.04573	1.8
161.08218	100.0
162.08551	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	160.0618
Annotation	D-Alanyl-(R)-lactate
Peak:m/z	Relative Intensity
55.01885	2.1
57.03181	0.9
57.03450	14.6
58.00576	2.1
58.02978	28.0
59.01382	43.2
60.01733	1.2
64.25188	0.7
69.03475	2.3
70.02989	3.4
70.06215	2.3
70.06616	1.1
71.01389	38.9
71.05025	8.6
72.04565	1.1
72.99315	4.9
73.02953	21.9
74.02473	23.7
75.00873	5.0
81.03455	6.7
83.01394	10.4
84.02175	1.2
84.04559	30.5
85.02963	51.5
85.04895	1.2
86.02466	0.9
86.06129	2.4
87.00883	7.2
87.16660	0.7
88.04052	100.0
89.02456	11.7
89.04383	2.2
95.01403	2.6
97.02982	4.8
98.02496	7.1
98.03200	1.0
98.06120	9.0
99.00912	2.1
99.04544	12.8
101.02459	16.6
103.92049	1.7
112.04060	2.0
113.02473	9.8
114.05633	4.4
115.04037	2.3
116.03591	5.0
117.05608	4.5
118.05129	12.0
119.03521	1.7
125.02484	2.0
129.01971	0.7
130.05121	21.2
131.03528	21.3
131.05476	0.9
132.16110	0.8
133.02971	1.1
142.05115	2.2
143.03539	4.2
159.89413	1.4
160.06180	33.8
160.89322	1.0
161.02451	2.0
161.04579	25.2
161.06505	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0508
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03442	0.8
59.01379	1.0
66.08011	0.4
68.99831	0.6
69.03474	0.5
70.45963	1.6
71.01390	1.7
83.05043	0.4
84.99328	1.2
85.02966	1.0
85.06606	0.5
87.00925	0.6
90.61481	0.4
95.05025	0.5
97.02934	0.3
98.19977	0.4
99.00887	2.4
110.06115	0.8
111.00880	0.5
112.07720	3.5
113.06112	100.0
114.05630	0.6
114.06433	6.2
114.09274	0.6
115.00373	1.5
123.41322	0.3
127.00415	4.0
128.05098	0.8
128.20523	0.3
130.06613	1.0
140.07205	2.7
156.06691	10.7
156.89479	0.9
157.01399	0.7
157.03856	0.7
157.05107	11.9
157.08743	1.9
157.12383	2.5
157.13477	0.4
158.06122	2.2
158.08253	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0873
Annotation	Cleroindicin E
Peak:m/z	Relative Intensity
53.49310	0.3
55.01863	0.5
57.03451	2.3
59.01377	3.3
59.70288	0.3
64.47866	0.3
68.99821	0.8
69.03484	0.4
70.18508	0.6
70.18917	1.4
70.45305	0.4
71.01391	0.9
72.11660	0.3
72.99307	1.1
74.16805	0.3
84.99319	3.8
85.02943	0.5
86.31880	0.5
87.00783	0.4
93.07091	0.4
95.05005	0.5
99.00900	0.9
109.06639	0.7
110.06124	1.4
110.61604	0.4
111.08173	64.5
112.07697	4.3
112.08515	4.3
114.09251	0.9
115.00379	1.2
127.00379	2.6
128.05089	1.4
128.98337	0.6
130.06624	2.1
139.07680	3.6
140.07173	3.3
152.04889	0.3
155.07147	0.9
156.06680	15.3
156.89479	1.3
157.01453	0.8
157.08722	48.0
157.12241	1.9
158.06137	3.1
158.08226	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	157.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72015	0.3
54.69894	0.3
56.26910	0.3
57.03452	0.6
59.01381	2.6
67.05513	0.4
68.99811	0.8
69.03453	0.4
70.56306	1.3
71.01392	1.3
73.45812	0.3
74.45628	0.3
83.05036	0.4
84.99323	0.5
85.02954	1.5
87.00893	0.6
97.63783	0.3
99.00893	3.1
99.04544	0.4
110.06144	1.1
111.00864	0.5
111.08160	0.4
112.07710	3.3
113.06107	100.0
114.05641	0.5
114.06445	5.9
114.09267	0.7
115.00385	1.9
124.98773	0.3
127.00401	5.8
128.05058	1.1
130.06657	2.0
137.21707	0.3
138.85901	0.3
139.07619	0.5
140.07181	2.8
146.97083	0.3
156.06685	9.5
156.89497	1.3
157.01443	1.3
157.05086	10.7
157.08765	2.3
157.12355	3.2
158.06114	2.8
158.08247	75.9
172.04073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01714	2.4
63.30436	0.2
69.88327	1.1
69.88737	0.4
71.01428	0.2
93.51469	0.3
98.19989	0.5
105.22160	0.2
112.07786	0.3
127.00409	0.4
140.07269	0.3
156.06715	1.0
157.08675	0.3
158.08247	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	155.1444
Annotation	p-Menthan-4-ol
Peak:m/z	Relative Intensity
51.74606	0.6
54.37583	0.5
55.01882	5.4
57.03439	1.0
59.01385	4.2
64.67535	0.6
67.01895	1.2
69.03467	0.6
70.29145	2.6
71.01389	1.6
73.02973	0.6
74.93037	0.6
83.01393	5.6
83.05025	1.9
84.00906	1.9
84.04556	1.4
85.02964	1.4
93.03453	4.2
95.01393	0.5
99.00899	0.6
99.92603	2.7
109.03048	0.5
109.04874	0.6
111.00885	2.1
111.04527	2.5
111.08181	0.6
112.00414	0.7
112.03979	0.7
112.04765	0.6
114.05636	5.8
123.96844	0.7
127.00365	1.1
127.11304	3.9
137.02460	1.0
140.01164	1.5
140.04376	1.3
151.11328	3.9
153.12888	18.6
154.13217	1.9
154.86903	0.8
154.99869	3.5
155.03535	1.6
155.07056	0.6
155.14445	100.0
155.86609	4.6
155.99280	0.6
156.06683	5.0
156.14859	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	149.0458
Annotation	DL-Xylose
Peak:m/z	Relative Intensity
59.01377	19.5
69.03458	4.3
70.89763	3.5
71.01389	27.1
72.99316	4.3
73.02951	22.7
75.00882	18.2
85.02956	3.3
87.00883	13.6
89.02454	100.0
90.02792	1.7
103.04050	11.2
119.89001	1.5
131.03542	14.3
149.04578	64.9
150.04897	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	155.1444
Annotation	p-Menthan-4-ol
Peak:m/z	Relative Intensity
54.01832	0.9
55.01879	4.3
55.59915	0.7
57.03449	1.1
59.01377	3.4
61.52159	0.9
62.34693	0.9
67.01894	1.3
70.13125	3.7
70.26998	0.9
71.01396	1.0
72.07349	0.8
77.77189	0.8
81.03464	0.8
82.76318	0.8
83.01393	4.7
83.05034	2.3
84.00919	1.3
84.04565	0.9
93.03468	4.0
97.38397	0.8
99.92597	2.1
109.02972	0.9
111.00898	2.5
111.04533	3.0
112.00403	0.9
114.05654	5.0
127.00420	1.3
127.11299	3.5
137.02457	1.2
140.01187	1.9
151.11288	3.3
153.12881	19.5
154.13234	2.1
154.99884	2.8
155.02554	1.2
155.03625	1.2
155.14444	100.0
155.86572	3.4
156.06720	4.8
156.14780	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	149.0095
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
59.01377	24.8
64.06538	2.1
68.44609	1.9
71.01405	2.6
71.38660	2.1
71.39034	2.7
72.99317	82.8
75.00876	4.9
76.95908	4.8
78.95930	3.5
87.00890	100.0
88.01241	3.6
88.98826	6.2
89.02472	8.6
89.70081	2.0
92.47290	1.9
94.95745	10.2
103.00401	18.0
105.01961	5.9
110.97060	2.4
121.02985	8.9
130.99915	2.6
149.00946	63.1
149.02280	4.2
149.04564	4.3
150.00172	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	147.0455
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01879	5.4
57.03445	7.1
59.01381	52.2
62.08149	2.5
67.01855	3.1
68.99837	3.3
70.42039	13.0
71.01390	100.0
71.05030	6.2
72.99318	9.2
73.01046	2.7
75.00866	21.4
83.01394	5.4
85.02965	7.6
86.04954	2.8
87.00894	8.4
89.02467	8.9
99.00896	41.5
100.01190	3.1
101.02461	5.2
101.06092	9.0
119.05033	10.9
129.01942	7.2
147.02071	6.0
147.03024	11.2
147.04535	61.5
147.06639	13.8
148.04012	6.8
148.05048	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	147.0454
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.63209	3.4
59.01389	24.8
71.01396	32.0
71.68063	3.8
75.00879	6.2
99.00884	22.3
101.06071	5.4
102.03515	100.0
119.05063	14.0
120.04560	4.6
121.02950	5.1
129.01923	5.4
140.88290	4.3
146.02495	12.6
147.03232	4.8
147.04543	59.6
148.04037	73.2
148.05045	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	147.0455
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
57.03445	8.5
58.00604	7.8
59.01382	67.4
71.01391	100.0
71.70119	5.6
72.01730	5.0
72.99314	11.5
75.00881	22.2
83.01411	6.3
85.02952	7.5
87.00890	7.4
89.02464	7.8
99.00892	45.4
101.02453	6.0
101.03957	4.6
101.06094	5.0
102.03511	61.6
119.05035	11.8
121.02987	4.9
125.89442	3.8
129.01935	9.9
146.02521	15.7
147.02002	8.8
147.03087	20.3
147.04547	53.2
147.06635	12.3
148.04057	39.5
148.04897	4.4
164.88420	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	147.0303
Annotation	Citramalate
Peak:m/z	Relative Intensity
57.03447	20.4
57.81523	2.0
59.01379	9.7
71.01390	92.0
71.05035	3.5
71.26516	5.1
72.01717	3.7
72.78574	2.2
75.55756	2.0
75.93851	2.2
85.02968	60.2
86.03321	2.4
87.00890	90.5
88.01218	3.1
101.02455	4.0
101.06100	4.4
103.04039	20.5
111.86804	2.0
115.00397	100.0
116.00745	6.4
123.92298	2.5
129.01968	20.2
147.03026	45.9
147.06650	6.5
148.03365	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	147.0303
Annotation	Citramalate
Peak:m/z	Relative Intensity
51.42468	1.9
52.17269	1.6
55.26372	1.6
57.03206	2.0
57.03453	20.1
57.54605	1.6
59.01379	7.7
65.76783	1.8
71.01387	18.9
71.47004	4.0
75.72153	1.6
85.02435	3.3
85.02959	62.8
86.03280	2.0
87.00887	100.0
88.01176	2.8
95.52621	1.7
101.02458	3.4
103.04044	9.2
110.58499	1.9
115.00407	18.8
116.00902	1.8
117.58382	1.7
120.79045	1.6
129.01964	17.5
147.03027	38.6
153.88853	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0463
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
55.64001	0.7
59.01369	1.5
71.01403	1.0
74.96195	1.8
78.06010	0.7
82.03019	0.9
84.04533	0.8
85.02962	1.0
85.75893	0.6
85.90684	0.8
88.98821	1.8
92.95984	1.5
102.05627	100.0
103.05373	0.9
103.05968	4.0
118.28475	0.7
128.03568	41.7
129.03912	3.4
140.12782	0.7
146.04625	20.9
146.93417	0.8
147.04993	1.6
153.05696	0.7
160.40411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0302
Annotation	Citramalate
Peak:m/z	Relative Intensity
56.18681	2.8
57.01484	2.3
57.03455	22.3
59.01395	16.2
64.93920	2.5
70.19691	12.2
71.01392	92.6
71.05022	9.1
73.58321	3.5
75.82550	2.7
85.02967	70.2
86.03287	3.9
87.00893	85.4
99.00896	2.7
100.22694	2.4
101.02467	11.1
101.06099	10.2
103.04034	23.1
103.05935	4.9
115.00398	100.0
116.00671	5.6
129.01964	27.1
129.03940	2.8
147.03035	48.1
147.06644	13.5
148.03351	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	145.0874
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
54.65256	0.7
69.03468	1.0
69.61134	6.3
71.01446	0.7
83.05032	6.4
97.06632	1.1
98.19873	1.4
99.08174	100.0
100.08504	7.3
102.05642	1.7
117.03482	5.9
127.07699	2.9
128.03571	1.1
143.07190	0.9
145.03046	3.8
145.08737	56.7
146.02489	3.6
146.09053	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	145.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	18.8
58.06657	2.8
61.14625	2.8
70.55827	4.5
70.56201	9.0
71.01391	6.6
73.02953	10.5
74.02482	5.1
81.43924	2.8
82.78764	2.8
83.01440	4.0
84.04555	5.5
86.37774	3.3
101.02454	82.1
102.05620	100.0
115.00379	4.8
128.03566	47.4
130.83313	3.7
145.01418	10.1
146.04630	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19921	1.0
71.01404	1.9
71.27899	2.1
73.02960	1.3
73.90247	1.0
74.85494	0.8
75.00191	0.7
83.05037	4.0
97.06608	3.5
99.08175	100.0
100.08502	7.0
100.35935	0.9
101.06113	4.3
102.03485	0.9
102.05624	7.6
106.65016	1.0
118.02987	2.4
127.07681	2.2
128.03581	3.7
129.95775	0.9
145.04039	1.7
145.05003	2.9
145.08727	52.5
146.02518	16.8
146.03636	1.1
146.04543	1.2
146.09068	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	144.0459
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
57.03450	0.2
59.01373	0.4
59.26969	0.2
66.11115	0.2
70.89686	0.3
70.90062	0.4
71.01392	0.6
73.02960	0.4
81.03456	0.3
83.01373	0.2
83.05026	0.9
85.02980	0.3
87.00863	0.2
99.04533	0.2
99.08178	2.3
100.07730	0.3
101.06079	0.9
102.05632	0.2
111.84032	0.2
116.05078	1.7
117.03470	0.3
126.03539	0.7
142.03017	0.4
142.05186	0.3
144.04579	100.0
145.02997	0.3
145.04941	10.5
145.08701	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0145
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
57.03453	18.8
58.06657	2.8
61.14625	2.8
70.55827	4.5
70.56201	9.0
71.01391	6.6
73.02953	10.5
74.02482	5.1
81.43924	2.8
82.78764	2.8
83.01440	4.0
84.04555	5.5
86.37774	3.3
101.02454	82.1
102.05620	100.0
115.00379	4.8
128.03566	47.4
130.83313	3.7
145.01418	10.1
146.04630	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0716
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
57.03453	18.1
59.01375	7.4
65.84374	3.2
69.03452	11.5
69.40554	3.4
69.41188	31.8
71.01389	44.6
71.05030	6.6
72.99329	3.1
73.02932	7.7
81.03461	7.9
83.01390	3.4
83.05022	20.1
85.02967	38.6
86.03300	4.6
87.00877	14.0
87.04524	10.1
97.02956	12.6
97.06608	23.1
99.04517	12.1
99.08176	100.0
100.07703	4.4
100.08511	6.3
113.02454	9.6
115.04056	6.4
125.02460	22.0
125.06134	23.0
130.98218	3.3
143.03539	24.6
143.07184	28.3
143.10809	10.6
144.03505	4.3
144.04588	65.6
144.06639	31.1
158.19104	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	143.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14536	3.1
55.01872	7.3
57.03446	16.8
59.01357	11.0
69.03464	20.9
70.83282	11.5
70.99615	3.5
71.01389	63.3
71.05029	13.4
72.99321	10.2
73.02959	13.0
81.03470	7.5
83.01385	5.1
83.05029	17.2
85.02969	59.4
87.00898	18.1
87.04533	13.8
97.02967	11.6
97.06599	22.8
97.55825	2.8
99.04539	16.8
99.08183	79.8
100.08514	5.5
101.02451	5.3
113.02467	8.3
114.18547	3.6
123.87877	3.3
124.98804	4.1
125.02493	20.8
125.06084	24.0
142.05051	4.0
143.03549	29.6
143.07152	26.9
143.10797	18.3
144.04587	100.0
144.06644	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9989
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.00313	13.9
53.51645	1.9
59.01384	5.7
60.41260	1.8
70.85349	5.0
70.85692	2.2
71.01389	34.7
76.08095	2.1
80.99836	6.3
81.58244	2.1
87.00848	4.9
87.92554	7.1
96.99339	13.3
103.92048	4.9
105.93590	2.5
112.98833	22.4
124.98832	40.3
140.98326	10.3
142.99883	100.0
144.00229	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	142.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34805	2.2
52.12304	2.1
53.00315	17.3
55.44855	2.4
59.01366	6.1
68.99818	5.1
71.01391	39.9
71.09760	4.9
71.66788	2.3
80.99862	4.0
85.02977	3.4
87.00900	6.3
96.99329	11.8
99.30186	2.2
112.98824	18.1
115.00356	4.1
116.08567	2.3
124.98834	33.1
125.99147	2.5
140.98326	11.5
142.99887	100.0
143.03548	2.9
144.00215	3.3
148.95316	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	139.0404
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
50.40876	1.5
55.01885	21.0
59.86329	1.5
67.01908	8.7
68.01415	2.2
68.99799	2.1
69.03460	7.4
71.05029	37.7
71.71402	2.5
79.95753	3.8
83.01416	8.4
86.01630	1.8
93.03471	4.1
95.01416	3.3
95.05040	36.6
96.05417	1.8
97.02965	92.4
98.03293	4.4
111.00903	34.8
111.04533	3.3
118.32658	1.9
121.02986	2.9
123.00916	4.2
124.01678	4.2
139.00418	25.2
139.04039	100.0
139.07625	2.2
140.03532	5.9
140.04396	7.0
140.07213	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	142.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	14.2
59.01394	2.9
68.99813	5.0
69.62682	17.6
69.63082	3.9
71.01394	39.8
72.49827	2.4
72.99318	3.8
80.99825	3.5
82.02998	3.4
85.02961	4.4
86.47596	3.1
87.00890	8.8
87.92548	10.3
96.99339	12.8
98.19879	4.8
103.92030	5.9
112.98824	25.8
115.00381	4.0
117.88667	2.2
123.94660	2.3
124.98828	34.8
140.98337	10.8
142.05504	2.3
142.99879	100.0
144.00215	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	138.0564
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
53.73993	0.6
55.01883	4.2
60.53990	0.6
60.72867	0.5
63.10546	0.6
66.03481	0.9
67.01891	6.9
68.99815	1.9
69.03472	0.7
70.03514	3.3
71.01388	0.8
78.95905	1.8
81.75235	0.6
83.01409	3.6
83.05020	0.7
91.39909	0.6
93.03491	3.1
94.03024	3.4
94.03815	9.2
94.98125	0.8
95.01410	2.6
95.05049	4.2
96.04620	0.6
97.02962	1.1
98.20556	0.8
108.02192	3.8
110.02519	2.1
110.03281	0.7
111.00903	23.6
111.04548	1.2
121.02972	1.0
122.02515	1.1
123.03294	46.8
124.01686	1.7
124.03636	2.5
136.00461	1.3
137.89220	1.8
138.01996	13.1
138.02847	7.1
138.05641	100.0
139.00406	15.7
139.01256	0.4
139.03053	1.1
139.04074	7.8
139.05055	1.1
139.06000	7.3
151.22047	0.6
154.01514	0.7
155.02171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0247
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
54.16546	0.3
65.03964	0.7
93.03473	100.0
94.03813	6.6
137.02473	24.4
138.02795	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	135.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01985	0.8
59.01399	1.0
71.20097	1.2
71.20411	1.2
74.54453	0.7
85.02972	2.1
91.05535	0.8
93.03474	1.2
106.04221	1.2
107.05064	5.5
108.02175	1.4
108.04573	1.3
117.03519	1.3
134.03761	12.3
134.89520	4.0
135.04544	100.0
135.89560	0.9
136.04024	2.8
136.04887	6.9
144.53729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37928	0.2
62.72951	0.2
65.03966	0.7
70.18344	0.9
81.03467	2.2
85.45383	0.2
85.74911	0.2
91.01903	0.7
93.03471	9.7
94.03795	0.6
108.02186	3.6
109.02995	2.8
110.03338	0.3
119.01390	0.9
127.27348	0.3
136.01682	7.7
136.89204	0.4
137.02469	100.0
138.02812	7.7
145.55669	0.2
146.37563	0.2
149.25818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00489	0.9
58.30270	0.9
61.72340	0.9
69.66801	8.4
73.81996	1.0
78.47312	0.9
85.02951	1.8
100.11799	0.9
106.04259	1.1
107.05036	5.7
108.04554	1.1
117.03461	1.3
134.03777	12.0
134.04732	1.4
135.04546	100.0
136.04105	1.1
136.04893	9.1
150.70940	1.1
152.59749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0303
Annotation	Threonate
Peak:m/z	Relative Intensity
55.01870	0.6
59.01383	9.8
61.98834	1.5
69.62751	4.3
69.63155	0.8
71.01380	4.4
72.99317	14.5
73.02959	0.9
75.00883	100.0
76.01244	2.3
78.95919	0.9
83.38358	0.6
87.00898	15.5
87.01431	1.0
89.02448	5.6
96.96983	1.7
98.20634	0.7
111.12558	0.7
117.00846	0.9
117.01972	5.7
134.86583	1.7
134.89499	5.5
135.03029	41.0
135.04626	1.4
135.89522	0.7
136.03374	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	133.0509
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
57.03458	1.2
59.01375	3.1
59.98541	1.0
69.77357	4.9
71.01390	100.0
72.01733	3.1
72.99321	9.6
75.65052	0.7
76.13456	0.7
85.02956	0.7
86.43776	0.7
87.00889	32.2
87.04521	7.2
88.01237	1.3
88.04881	0.7
89.02457	13.6
107.03635	1.4
115.00394	72.6
116.00755	4.5
133.01462	22.5
133.05093	47.0
134.01733	0.8
134.04648	4.8
134.05614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0146
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01374	1.0
60.36620	0.3
69.46174	3.8
69.46507	0.9
71.01392	56.3
71.34171	0.3
72.01727	1.7
72.99317	13.7
72.99729	0.8
73.99679	0.4
87.00899	1.3
89.02455	7.4
98.20589	0.6
115.00395	100.0
116.00753	4.5
133.01457	31.0
134.01797	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	133.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.2
59.38941	0.8
62.94341	0.7
69.98116	3.9
71.01392	64.1
72.01712	1.9
72.99313	14.4
87.00867	1.6
89.02447	7.2
91.91335	0.8
115.00394	100.0
116.00768	4.6
133.01462	30.3
133.05022	0.8
134.01767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0509
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
51.78940	1.0
54.59689	1.5
55.75666	1.0
57.03444	1.0
59.01375	4.6
63.44599	1.0
71.01389	100.0
71.27804	1.6
71.28138	2.0
72.01713	3.1
72.99313	13.1
87.00890	33.1
87.04531	7.9
88.48067	1.2
89.02458	15.5
93.82877	1.2
96.96964	1.1
100.42489	1.1
107.03688	1.7
115.00394	86.6
116.00738	4.0
133.01459	20.9
133.04066	2.4
133.05093	50.5
134.04614	6.1
134.05617	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	131.0717
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03440	1.5
58.52984	0.7
59.01365	1.0
70.57024	0.7
71.01373	1.6
71.27518	1.5
73.02956	4.5
83.05038	1.1
85.02966	2.2
85.06600	100.0
86.06938	5.1
101.02460	1.2
113.06153	1.1
123.00444	0.7
129.05611	1.0
131.03580	1.8
131.07167	59.1
132.07530	5.0
135.53577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.7
59.01377	2.4
67.47213	0.8
68.99834	0.7
69.03458	8.7
70.71935	2.4
70.72297	0.8
71.01395	6.7
73.02951	13.1
75.00884	1.3
85.02969	5.0
85.06602	100.0
86.06931	5.0
87.04511	2.3
88.04883	0.6
100.14323	0.7
101.02428	1.7
113.02509	0.8
113.06124	3.1
129.05600	1.5
131.03497	2.9
131.07159	54.7
132.07520	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	131.0717
Annotation	Ophiocerin B
Peak:m/z	Relative Intensity
51.93409	0.6
57.03453	4.8
57.30625	0.6
59.01381	100.0
60.01716	2.3
65.12649	0.6
68.99833	1.2
69.03458	1.1
70.03319	0.6
70.06447	2.0
70.06846	0.8
70.15546	0.6
71.01392	10.3
73.02956	21.4
73.06080	0.6
75.00874	2.1
85.02965	8.8
85.06602	2.9
87.04529	5.7
88.04051	1.0
98.20634	0.7
99.00914	0.6
101.02455	4.1
113.02488	2.0
119.37383	0.7
120.93432	0.6
131.03557	4.3
131.07170	10.8
142.51123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0197
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01889	7.6
57.03449	53.9
67.01897	100.0
68.02224	4.6
68.99825	5.3
70.61662	10.5
70.62064	5.8
71.01379	4.9
72.99317	5.1
83.01437	5.3
85.02966	34.0
88.04055	9.8
93.10809	3.7
98.20012	4.3
99.00891	4.8
111.31205	4.5
117.73289	3.6
128.90222	7.6
129.01970	26.0
147.14975	3.4
147.42619	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	130.0877
Annotation	Isoleucine
Peak:m/z	Relative Intensity
57.03447	2.7
59.01373	2.2
68.99825	0.8
69.88526	4.9
71.01394	4.9
73.02957	11.2
75.00851	0.8
85.02953	6.1
85.06594	2.1
87.04539	3.1
88.04048	6.6
92.10931	0.7
101.02454	1.7
113.02464	1.3
130.02304	1.1
130.08760	100.0
131.03517	2.5
131.07220	0.8
131.09111	7.2
141.58580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0716
Annotation	Ethyl 4-hydroxybutyrate
Peak:m/z	Relative Intensity
57.03451	9.5
59.01384	11.2
68.99787	1.2
69.03465	2.7
71.01387	27.8
71.69867	1.4
72.99310	2.2
73.02538	2.3
73.02953	46.8
74.03279	2.1
75.00889	4.8
83.01392	1.2
83.05045	1.4
85.02962	21.4
85.03451	1.6
85.06600	100.0
86.06940	4.7
87.04529	14.4
88.04063	1.9
101.02441	5.7
103.04030	1.1
113.02492	4.8
113.06093	3.4
123.08743	1.0
131.03523	12.2
131.07170	50.6
132.07487	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	129.0198
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
51.10653	3.8
55.01875	11.3
57.03449	37.0
59.01356	5.4
62.12999	4.4
67.01897	73.1
68.99825	11.6
71.01386	14.8
71.68777	6.2
73.02927	5.2
83.01411	4.7
84.95752	4.0
85.02966	100.0
88.04063	58.6
97.33018	3.7
99.00864	4.8
101.02471	12.6
129.01962	50.0
129.03928	5.9
129.05598	28.6
130.05081	5.7
130.08748	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0357
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
55.01870	1.9
57.03456	4.7
66.38666	0.7
67.01899	9.9
68.99823	1.1
69.77985	5.8
71.01376	1.8
72.99323	1.7
82.03001	4.0
83.01396	1.4
84.04591	0.9
85.02966	12.6
87.00872	1.4
88.43634	0.8
101.02456	2.0
111.00957	1.2
128.03566	100.0
128.07230	1.6
128.89247	13.9
129.01971	8.5
129.03918	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	126.9443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06504	0.9
51.11832	1.2
53.41485	1.2
55.01875	1.1
65.30455	1.0
71.01379	2.0
71.70014	1.8
82.03002	3.8
83.05051	1.5
84.04556	1.1
85.02966	3.2
99.00916	1.4
126.90545	1.4
127.00386	5.8
127.04046	3.2
127.05130	2.4
128.03561	100.0
129.09323	1.2
129.36339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.3
68.99796	2.2
71.01395	8.2
71.05023	2.6
71.71336	3.2
78.39945	1.7
81.03472	5.5
82.03006	2.2
83.01392	7.2
83.05057	7.2
85.02958	13.8
95.22608	1.5
95.70265	1.4
99.00906	4.3
99.04551	2.9
109.02985	5.6
126.90459	43.1
127.00394	27.6
127.04035	21.6
127.07671	45.0
128.03566	44.0
128.04387	1.5
128.07198	100.0
128.07970	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	123.9468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
56.41396	1.0
62.93907	0.8
69.03472	5.2
71.68829	1.3
81.03480	3.0
87.92546	90.7
88.92607	1.5
91.38030	1.0
94.03046	1.1
96.04541	1.3
96.99329	13.2
97.02988	5.4
103.92061	2.4
105.93610	19.9
119.91570	2.3
123.94675	100.0
124.01759	1.5
124.04055	2.6
124.89164	1.6
124.94716	1.7
124.98822	6.9
125.02464	24.1
125.95057	1.1
130.34209	0.9
141.91248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0506
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.44608	0.6
53.65757	0.8
59.01376	6.3
69.68014	4.7
71.01393	6.2
72.99313	2.0
84.18816	0.6
93.03460	2.0
97.98372	0.6
101.92459	2.5
101.93050	1.0
113.16962	0.6
118.92657	10.7
119.02631	1.4
119.03570	4.2
119.05045	100.0
120.04607	1.2
120.05382	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	121.0299
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
59.10976	0.2
66.03499	0.3
69.65274	1.7
86.73888	0.2
91.01909	0.5
91.49795	0.2
93.03479	1.8
94.03001	3.0
95.01415	0.5
98.20611	0.2
108.02197	1.9
108.70867	0.2
121.02976	100.0
122.02495	3.5
122.03324	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	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
50.58872	0.3
51.55403	0.2
51.82758	0.3
52.62102	0.3
55.01871	0.9
70.67612	1.0
73.02953	100.0
74.03291	2.7
78.97504	0.3
99.00897	8.5
99.92598	0.9
116.92896	3.5
117.01960	15.9
117.41441	0.3
118.02264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.30024	0.6
54.07892	0.5
59.01387	2.8
71.01389	4.3
71.40814	1.0
72.99321	1.0
73.34884	0.5
93.03477	3.3
101.03988	0.6
101.92428	2.5
101.93027	0.9
118.92670	9.9
118.93346	1.5
119.05048	100.0
120.04595	1.1
120.05370	6.3
124.81650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62944	0.3
55.01894	0.5
59.01390	0.5
61.74515	0.3
63.90352	0.3
70.22092	0.3
70.89317	1.0
70.89674	0.5
71.61343	0.3
72.00933	0.3
73.02956	100.0
74.02483	0.7
74.03294	3.1
75.00910	0.3
93.77826	0.3
99.00903	9.0
99.01523	0.6
99.92628	1.8
100.01177	0.4
116.92890	6.8
117.01965	17.7
117.92928	0.7
118.02297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.519
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01396	7.4
95.01418	0.4
96.96043	0.6
101.02441	0.6
105.96145	0.2
107.01405	18.0
107.55044	0.2
108.01746	0.5
109.02953	0.4
111.00854	0.3
118.90851	0.3
124.01692	2.6
125.02465	5.1
137.02426	0.4
146.03732	1.2
151.00391	55.2
152.01204	5.5
153.01974	2.3
159.04575	1.8
160.05304	0.6
161.02480	0.4
161.05988	0.3
163.00409	0.8
164.01247	0.3
165.01976	0.6
167.26376	0.3
169.01445	13.9
170.01851	0.2
172.05341	1.0
173.02377	0.2
173.06100	1.2
174.03242	0.6
175.03969	0.4
177.01971	0.7
178.99875	83.9
180.00214	3.3
181.01506	0.4
183.04585	0.3
185.06142	0.7
187.04045	1.5
188.04787	1.7
189.01881	0.3
190.02768	0.7
191.05612	0.6
192.00642	0.3
193.01364	0.3
197.06062	0.5
199.04056	0.4
200.04811	2.0
201.05556	1.4
203.03496	0.4
211.04031	0.8
212.04730	1.0
213.05553	1.0
214.02704	0.6
215.03532	0.8
216.04216	0.3
222.06815	0.3
223.07672	0.3
224.04808	0.7
225.05563	1.1
226.02689	0.9
226.06346	0.5
227.03516	0.6
227.07085	0.2
228.04312	0.3
232.03780	0.9
237.05606	0.4
238.06354	0.5
239.03506	0.7
239.07141	0.3
240.04196	0.9
241.01491	0.7
241.05026	0.4
242.02209	0.4
243.02919	1.7
249.05443	0.6
250.06183	0.3
251.07309	0.4
252.04289	0.6
253.05043	0.8
254.05550	0.3
255.02956	3.0
256.03677	0.7
257.15573	0.5
264.04138	0.4
265.04980	0.5
265.14905	0.4
267.06531	0.4
267.13937	0.7
269.11923	1.3
271.02448	7.2
271.13394	0.5
272.03064	0.9
276.04315	0.3
277.05127	0.9
277.21710	2.4
278.05792	0.5
280.03836	0.3
283.13388	1.4
285.15128	1.7
287.12836	0.6
290.05823	0.5
291.06647	0.5
293.04553	1.1
294.05304	0.5
295.02658	0.3
295.13293	1.3
296.03220	1.2
297.14999	0.7
299.01993	2.5
299.99323	0.4
300.02737	8.6
301.03128	0.8
303.03107	0.3
305.04498	0.4
305.12076	0.3
306.05481	0.7
307.05997	0.4
308.03372	1.0
309.04102	0.7
311.01874	0.4
311.12897	10.9
312.13348	1.0
313.14432	4.0
314.14703	0.3
321.04065	0.9
321.11502	0.3
322.04941	1.5
323.05392	0.3
323.12827	1.9
325.03598	1.1
329.13965	2.6
331.15515	0.8
335.05676	1.1
337.10910	0.8
337.14532	0.5
339.12476	1.3
341.14078	1.0
346.04764	0.5
349.10791	0.3
350.04205	0.8
351.12454	1.0
355.04727	0.3
357.13312	0.3
363.12262	0.4
365.13995	0.6
367.11942	0.6
369.13489	0.7
389.13910	1.2
403.15717	0.4
407.15042	0.9
419.15128	0.4
429.13510	0.5
431.14929	0.7
447.14655	0.6
449.15820	0.5
457.12817	0.3
465.15857	0.4
475.14075	1.5
493.15073	1.7
506.43481	0.3
565.22925	0.7
655.20721	1.0
656.21747	0.3
703.38440	0.3
729.24792	0.4
747.25494	0.4
780.13525	0.3
825.44000	0.8
827.46033	1.8
828.47083	0.6
837.44684	0.8
863.43158	0.6
870.25562	0.3
881.44183	0.7
909.30957	2.2
910.31268	0.4
943.45471	0.6
961.48108	0.3
971.44659	2.3
972.45428	0.4
988.44873	0.9
989.45691	10.1
990.46289	3.0
1007.46808	20.8
1008.47076	5.5
1017.50354	0.5
1018.52112	0.4
1023.46313	0.6
1043.49353	1.5
1044.49268	0.4
1151.50830	1.1
1152.51440	0.5
1169.51929	100.0
1170.52234	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0611
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
55.01873	7.6
57.03175	2.9
57.03452	43.1
68.99569	27.5
69.03461	10.3
69.57996	5.7
69.58430	10.7
71.01398	6.0
72.05095	1.6
83.01384	5.2
84.02180	14.5
85.02962	100.0
86.03284	3.6
98.20683	4.0
113.02470	33.0
113.06105	19.3
114.02008	3.2
114.05643	15.4
134.94855	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	115.004
Annotation	Maleic acid
Peak:m/z	Relative Intensity
57.41666	2.2
59.01359	2.6
69.84291	5.1
69.84705	7.6
71.01392	100.0
72.01701	3.7
86.56464	2.1
88.04907	2.1
114.93420	4.4
115.00377	11.2
115.92067	2.7
116.07200	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	115.0039
Annotation	Maleic acid
Peak:m/z	Relative Intensity
59.01363	3.4
71.01388	100.0
71.28408	4.9
72.01711	4.1
76.44590	2.4
87.00892	4.6
103.62911	2.7
115.00388	11.6
115.04044	7.3
116.07185	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	113.0611
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
51.04116	0.9
52.11351	1.1
53.93972	1.1
55.01884	8.2
57.03453	38.1
58.03795	1.2
67.01888	2.1
68.99575	32.7
69.03464	11.1
71.01386	4.9
71.70777	1.4
71.71223	2.1
72.00916	1.9
80.92593	1.2
83.01395	5.7
84.02177	14.2
84.71505	1.0
85.02962	100.0
86.03295	3.3
95.01400	3.1
112.99999	1.2
113.02469	34.0
113.06100	26.3
114.01993	3.7
114.02779	1.5
114.05637	14.1
114.06403	2.5
114.48606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0091
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
51.92358	1.5
55.01885	23.1
67.01900	18.9
70.30249	5.5
71.01393	4.3
73.35533	1.7
78.95914	100.0
83.01396	81.2
83.05036	2.8
84.01720	3.2
92.45823	1.3
93.03466	2.3
98.07575	1.7
102.72258	1.7
110.97591	5.2
110.98582	2.2
111.00899	44.2
111.04520	2.6
112.01262	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	113.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.1
57.03450	24.4
67.58941	1.9
67.75484	1.8
68.99578	100.0
69.03458	4.8
71.70876	3.7
84.02166	9.2
85.02969	52.6
86.03298	1.7
95.01402	2.0
99.39403	1.7
112.98581	2.7
113.02467	21.3
114.05619	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	1077.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
78.09077	0.2
81.03450	0.2
83.01373	0.5
85.02964	1.2
87.00909	0.7
93.03471	3.8
104.38573	0.3
107.01420	1.6
108.02194	0.9
109.02975	2.0
111.04538	1.1
121.02986	1.3
122.03794	0.3
125.02462	0.4
134.03769	0.7
135.00949	0.4
135.04559	0.5
136.01668	0.5
137.02469	1.6
139.07666	0.2
147.04463	0.3
148.01675	0.5
148.05281	0.3
149.02429	0.3
151.00395	7.1
152.00862	0.2
153.01958	0.4
155.03508	1.0
159.04555	2.1
161.02472	0.5
162.03232	0.2
163.00439	1.4
164.01230	0.2
169.01433	0.7
173.04581	8.7
174.03229	0.6
174.06837	0.4
175.04030	0.4
176.01172	0.4
176.04774	0.7
177.09224	0.7
178.99883	4.1
183.04544	0.6
187.04033	2.4
187.07619	1.3
188.04752	0.5
190.99956	0.4
191.05632	14.1
192.00581	0.3
192.05956	0.6
193.01445	0.3
197.06116	0.3
199.04018	0.4
201.05595	0.3
201.09134	0.3
202.06316	0.4
203.10774	4.0
203.12624	0.3
205.08765	0.9
211.04008	0.8
213.09206	2.0
215.03555	0.4
215.07028	0.5
216.04213	0.3
216.07954	1.4
219.10260	0.3
226.02713	1.1
227.03462	1.7
229.05013	0.4
231.10252	9.5
232.10651	0.8
233.08200	0.6
243.02997	6.0
243.05542	0.3
244.03549	0.6
245.04591	0.6
249.11313	1.7
249.13536	0.3
254.02199	1.5
255.02975	16.1
256.03314	1.5
257.08173	2.4
261.06116	0.3
271.02478	35.9
272.02884	3.7
273.03940	0.6
275.09180	1.2
277.23206	0.3
283.02518	1.0
293.10248	1.9
299.01938	1.2
300.02765	68.7
301.03473	30.4
302.03821	2.2
343.04462	0.4
421.14828	0.3
431.13464	0.5
449.14499	1.5
467.15634	23.1
468.15991	2.6
554.46893	0.3
607.12543	0.3
609.14764	100.0
610.15106	14.9
611.15271	1.1
781.43213	0.3
787.17792	0.3
892.53491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
74.82676	0.4
83.05016	0.5
85.02959	6.0
87.00896	1.5
93.03470	6.2
93.93427	0.4
100.72837	0.3
107.05062	1.2
108.02222	0.4
109.02978	2.7
111.04522	2.2
112.48310	0.3
117.03484	0.7
124.21120	0.4
127.04053	1.5
133.02939	2.2
134.03798	4.4
135.04546	50.8
136.04877	2.7
137.02422	1.0
146.02592	0.4
149.06087	0.8
155.03528	2.1
159.04520	0.8
161.02469	4.6
161.06056	0.6
162.02815	0.5
173.04570	11.9
174.04843	0.7
177.02049	0.4
179.03513	47.6
180.03793	1.7
188.09686	0.4
191.05626	100.0
192.05975	4.0
205.04912	0.4
229.01433	0.9
242.05835	0.7
243.06477	0.5
267.06711	0.7
269.08078	0.4
270.08411	0.4
271.09760	0.7
295.06168	0.6
296.06564	0.8
313.07089	0.6
314.07535	0.5
315.07751	0.4
339.05054	3.1
340.05463	2.1
341.05963	1.2
353.08789	93.7
354.09155	7.7
355.09283	0.5
355.64218	0.4
359.07849	0.4
513.10187	1.9
514.10712	2.4
515.11115	1.6
533.12952	1.8
705.17151	0.8
706.17206	1.3
707.18427	28.0
708.18915	4.9
821.18738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03470	0.8
83.05039	0.6
85.02959	7.1
87.00880	1.9
90.74969	0.2
93.03471	16.0
94.03794	0.9
98.20639	0.4
98.43394	0.2
99.04545	0.5
107.05069	0.3
108.02197	0.6
109.02974	3.9
111.00924	0.4
111.04539	3.0
115.00377	0.6
121.02952	0.3
121.07534	0.2
127.04024	2.0
129.01959	0.2
133.02963	1.8
134.03827	1.4
135.04544	28.3
136.04900	1.6
137.02472	2.7
146.03810	0.3
147.04543	0.4
149.06079	1.0
155.03513	2.3
159.04547	1.2
161.02457	4.5
161.06096	1.1
162.02768	0.3
171.03056	0.5
173.04572	37.1
174.04880	2.0
179.03516	25.7
180.03902	1.3
187.04045	0.5
187.15271	0.2
191.05626	100.0
192.05960	4.5
193.06062	0.6
201.01955	0.2
203.03535	0.4
216.97737	0.2
229.01382	1.2
230.01836	0.4
241.05046	0.3
241.58026	0.2
242.05841	0.8
243.06601	1.1
254.05768	0.8
255.06612	0.7
266.05396	0.3
267.06650	0.7
269.08206	2.1
270.08554	0.8
271.09787	1.5
289.05612	0.2
293.04684	0.4
295.06094	1.4
296.06406	0.4
297.07608	0.9
313.07324	1.2
314.07568	0.4
315.08408	0.2
323.05603	0.3
335.07739	0.4
339.05133	2.8
340.05493	1.7
341.06427	1.2
353.08795	17.3
354.09283	2.0
357.06122	0.3
359.07730	0.8
487.12534	0.5
488.12405	0.3
489.13870	0.7
513.10364	1.3
514.10730	1.3
515.11047	1.4
531.11420	0.6
532.11743	0.5
533.12921	4.8
534.13367	0.7
549.12555	0.4
689.17517	0.6
705.16724	1.8
706.17157	1.8
707.18475	77.5
708.18756	16.8
709.19012	2.6
710.19104	0.5
723.17963	0.5
869.20667	0.5
1061.27588	0.9
1064.89990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
80.11404	0.2
81.03456	0.7
83.05043	0.7
85.02962	3.7
85.03445	0.3
87.00883	1.0
89.92745	0.1
93.03471	16.6
94.03809	0.3
98.19899	0.3
99.04546	0.5
107.05027	0.7
108.02197	0.3
109.02949	1.1
111.00894	0.6
111.04543	3.9
113.02469	0.2
115.04033	0.2
117.03464	0.2
127.04018	1.3
133.02960	1.0
134.03781	2.2
135.04546	44.9
136.04849	1.5
137.02458	3.1
149.49095	0.2
155.03522	3.5
161.02466	2.2
161.06134	0.2
171.02983	0.3
173.04572	61.6
174.04913	2.2
179.03514	39.1
180.03859	1.5
191.05627	29.8
192.05923	1.1
243.06795	0.2
257.39151	0.2
269.08414	0.2
271.09729	0.5
289.05774	0.2
339.05109	0.9
340.05426	0.7
341.05875	0.5
351.07019	0.2
353.08789	100.0
354.09116	7.8
374.34048	0.2
426.24594	0.2
513.10400	0.5
514.10992	1.0
515.10962	0.7
516.11133	0.2
533.12738	0.6
707.18427	3.4
708.18433	0.5
772.33301	0.2
923.17108	0.2
933.87817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	0.3
83.05025	0.3
85.02959	6.9
85.51088	0.1
86.03288	0.2
87.00881	1.5
93.03472	6.4
94.03805	0.4
98.00100	0.1
99.04537	0.3
106.99860	0.1
107.05080	0.1
108.02193	0.6
109.02969	2.3
111.00886	0.2
111.04536	1.7
112.76052	0.1
113.02487	0.2
115.00379	0.4
121.02973	0.3
123.04533	0.3
125.02479	0.2
127.04034	2.0
133.02991	0.9
134.03731	0.3
135.04549	6.4
136.04887	0.3
137.02464	0.7
147.04544	0.4
149.06099	0.2
153.01923	0.1
155.03542	0.9
159.04546	0.4
161.02463	2.3
161.06120	1.0
162.02895	0.2
171.03041	0.6
173.04575	10.9
174.04881	0.7
177.01923	0.2
178.01990	0.1
179.03523	5.4
180.03844	0.3
187.04097	0.2
191.05630	100.0
192.05963	4.0
196.08908	0.1
199.07965	0.1
203.03514	0.2
209.05960	0.1
219.03194	0.1
221.06119	0.1
222.06735	0.1
223.07562	0.1
225.05322	0.2
229.01410	0.4
230.01718	0.1
237.05539	0.1
239.07249	0.2
241.05260	0.3
242.05841	1.2
243.06522	0.6
249.05495	0.1
251.07031	0.2
253.04889	0.2
254.05731	0.5
255.06451	0.2
267.06656	0.7
268.06964	0.2
269.08246	0.9
270.08514	0.5
271.09784	2.0
272.10159	0.3
277.05020	0.3
278.05557	0.1
289.05679	0.2
293.04578	0.3
294.05197	0.2
295.06094	0.9
296.06546	0.4
297.07492	0.4
311.05521	0.1
313.07144	0.3
321.04077	0.2
322.04376	0.2
323.05603	0.2
339.01465	0.2
339.05151	2.5
340.05414	1.5
341.05692	0.9
351.07059	0.3
352.07422	0.1
353.08798	39.1
354.09140	3.1
359.07733	0.9
487.12802	0.1
488.12949	0.2
489.13693	0.2
513.10449	1.7
514.10663	2.1
515.11115	1.9
531.11310	0.3
532.11725	0.3
533.12952	1.8
534.13538	0.3
623.31372	0.1
705.17493	0.6
706.17261	1.3
707.18378	12.1
708.18573	1.7
723.16034	0.1
803.85767	0.1
869.21075	0.2
1002.62482	0.1
1061.27295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03464	0.7
81.45947	0.2
83.01389	0.3
83.05025	0.8
85.02959	8.2
86.03291	0.2
87.00883	2.0
89.02454	0.6
93.03468	9.5
95.01385	0.4
99.04516	0.3
101.02456	1.4
105.03496	0.2
108.02243	0.3
108.31215	0.2
109.02959	1.4
111.00867	0.4
111.04524	2.6
113.02453	0.6
119.03546	0.2
127.04033	1.9
129.01968	0.3
130.04233	0.8
131.05046	0.2
133.02966	1.2
134.03728	0.7
135.04535	0.7
137.02473	2.2
143.03487	0.2
143.05055	0.2
145.05150	0.2
145.06548	0.3
146.03787	0.6
155.03516	1.7
156.05858	0.3
158.03711	1.6
159.04532	4.2
160.05318	2.8
161.02432	0.5
161.04477	0.2
161.06021	0.3
162.81956	0.2
169.06711	0.2
171.02982	0.6
171.04379	0.3
172.05313	14.6
173.04541	6.3
173.06068	5.5
174.03261	0.5
174.06825	1.4
175.07645	0.2
177.01920	0.5
178.02783	0.3
183.04494	0.6
184.05247	0.8
185.06085	2.4
186.03256	0.4
186.06871	2.1
187.04021	5.2
187.07605	0.9
188.04550	0.6
191.05623	41.3
192.05943	1.3
197.06100	1.0
198.06856	0.8
199.04022	2.7
199.07591	0.5
200.04782	2.2
201.05579	4.1
201.09251	0.2
202.06371	7.3
203.06728	0.4
204.04285	3.1
210.06572	0.2
211.04048	0.5
211.07634	0.7
212.08377	0.6
213.05589	0.4
213.09160	0.4
214.06268	0.4
216.04207	0.3
225.05542	0.3
226.06276	0.4
227.03494	6.4
227.10785	0.7
228.04243	2.7
229.04738	0.2
229.12164	0.2
232.03748	0.8
233.06563	0.2
237.12790	0.3
239.14474	1.5
241.12277	0.8
242.81584	0.2
253.12424	0.2
255.13910	2.1
257.15442	1.7
265.12332	0.8
267.13837	0.6
268.10992	0.5
277.21725	8.6
278.22067	0.6
279.51727	0.2
281.15463	1.5
283.13388	100.0
284.13739	9.4
285.14990	1.7
297.15036	0.6
299.16556	2.2
301.14450	17.1
302.14832	1.5
309.14963	10.8
310.15332	1.1
311.09235	0.4
311.12891	6.4
311.16040	0.2
312.13428	0.6
325.14413	1.0
327.12335	10.4
327.16046	21.2
328.12665	0.9
328.16397	2.4
329.13953	1.5
335.12949	0.2
339.15985	0.5
345.13348	1.5
345.17114	3.2
346.13559	0.3
346.17532	0.3
353.13950	6.3
354.14374	0.7
357.17126	0.4
371.15067	1.7
383.14764	0.2
537.23523	1.2
538.23523	0.3
563.24390	0.5
565.22961	0.3
581.26239	2.8
582.26324	0.3
607.24255	0.9
608.24353	0.3
625.25250	1.0
797.45166	1.5
798.45496	0.4
823.45605	2.3
824.46344	0.6
825.44434	1.5
826.44672	0.5
841.47504	25.9
842.47931	6.7
849.44171	0.2
867.45697	24.1
868.45972	6.8
885.46722	60.4
886.47052	18.1
921.47968	0.3
1015.49115	0.7
1041.50562	1.0
1042.51343	0.4
1059.51892	43.8
1060.52124	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	1059.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
76.86855	0.2
81.03471	0.9
83.01392	0.4
83.05025	1.0
85.02963	16.2
87.00890	3.7
89.02457	1.3
93.03474	9.7
93.04076	0.4
95.01417	0.5
97.02990	0.3
99.00938	0.3
99.04541	0.8
101.02460	1.4
107.85239	0.2
109.02979	2.1
109.66828	0.2
111.04533	3.2
113.02488	0.8
127.04044	3.2
129.01973	0.4
130.04276	0.8
133.02986	0.8
134.03780	0.6
135.04536	0.4
137.02475	1.0
143.03448	0.3
145.06683	0.3
146.03761	0.7
153.01997	0.3
155.03542	1.9
155.04823	0.3
156.05830	0.3
158.03777	1.6
159.04535	4.1
160.05321	3.6
161.02441	0.6
171.03008	1.0
171.04503	0.4
172.05321	12.8
173.04558	4.5
173.06071	4.5
174.03236	0.5
174.06784	0.9
175.03929	0.2
175.07703	0.6
177.01910	0.3
182.03723	0.2
183.04576	0.8
184.05243	0.6
185.06075	2.6
186.03241	0.5
186.06863	2.3
187.04025	5.5
187.07646	1.0
188.04630	0.5
191.05632	90.9
192.05988	2.9
196.05165	0.3
197.06116	0.8
198.06889	1.1
199.04042	5.9
199.07639	0.5
200.04764	3.3
200.08231	0.3
201.05620	3.7
202.06358	5.9
203.06723	0.3
204.04318	2.9
205.04529	0.3
209.05981	0.2
210.03212	0.3
211.04007	0.9
211.07637	0.7
212.04666	0.2
212.08331	0.5
213.05592	0.8
213.09271	0.3
214.06395	0.3
217.96356	0.2
225.05496	0.3
226.02715	0.4
226.06409	0.5
227.03517	15.3
227.07065	0.5
227.10786	0.5
227.14441	0.3
228.04277	6.1
228.11508	0.2
229.04543	0.3
232.03781	0.7
237.12801	0.4
239.14461	1.3
241.12386	0.7
253.09494	0.2
255.13950	1.6
257.15512	1.6
265.12390	0.6
267.13742	0.6
268.11041	0.4
271.13571	0.3
277.21710	4.8
278.22052	0.6
281.15399	1.5
282.15997	0.3
283.13400	100.0
284.13770	8.7
285.14911	1.4
297.14975	0.5
299.16470	2.0
301.14468	24.2
302.14755	2.0
307.13504	0.4
309.14972	13.6
310.15265	1.6
311.12912	8.8
312.13336	0.7
317.17639	0.4
325.14459	2.2
327.12338	8.2
327.16055	21.5
328.12805	0.7
328.16385	2.1
329.13983	2.9
335.12997	0.3
339.16000	0.5
343.15543	0.5
345.13361	2.0
345.17114	4.4
346.17517	0.5
353.13977	11.8
354.14346	1.3
357.17227	0.3
371.15057	4.4
372.15433	0.3
375.18311	0.4
401.15680	0.3
419.16965	0.3
537.23322	1.8
563.24713	0.8
565.22992	0.5
581.26477	3.5
582.26202	0.6
589.23175	0.5
607.23871	2.7
608.24744	0.4
625.24902	0.5
626.25903	0.3
797.45300	1.2
823.44318	4.0
824.44672	1.3
825.44489	1.9
826.43835	0.5
841.47552	20.4
842.47906	4.7
867.45740	54.3
868.45917	14.4
885.46753	48.9
886.47131	11.9
1015.49506	0.8
1041.51111	0.9
1042.51123	0.4
1059.51941	42.9
1060.52222	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	1045.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01397	0.6
85.02968	0.4
91.01896	0.1
93.03462	1.2
95.01402	0.1
97.02905	0.1
107.01402	1.7
108.02190	4.2
109.02982	2.6
110.24985	0.1
111.00897	0.1
119.01437	0.2
121.02984	1.1
124.01641	0.1
125.02470	0.4
135.00859	0.5
135.04515	0.2
137.02473	1.4
147.04594	0.1
148.01698	0.5
149.02437	0.3
151.00389	6.8
152.01184	4.2
153.01973	1.4
154.02217	0.1
159.04530	0.4
161.02477	0.2
161.06097	0.1
163.00406	1.6
163.03990	0.2
164.01105	0.4
165.01906	0.2
167.05037	0.1
169.01457	0.6
171.04536	0.1
173.04608	0.2
174.03284	0.1
175.04039	0.2
178.99876	3.6
179.03397	0.2
180.00291	0.2
183.04532	0.3
187.03990	0.2
191.05594	0.5
192.00659	0.3
193.01445	0.2
199.03972	0.4
201.02003	0.2
201.05521	0.2
203.03484	0.2
211.03963	0.6
212.04654	0.2
215.03500	0.4
216.04297	0.4
217.01170	0.1
226.02716	0.8
227.03499	1.7
228.03914	0.2
229.01418	0.2
229.05051	0.4
230.02243	0.1
231.02779	0.1
239.03459	0.2
241.01306	0.2
243.02979	5.6
244.03404	0.6
245.04547	0.9
254.02184	1.1
255.02982	15.4
256.03394	1.3
257.04620	0.4
264.66522	0.1
270.01700	0.1
271.02469	32.9
272.02893	3.5
273.04028	0.7
281.06607	0.5
283.02499	0.8
284.02820	0.1
295.02707	0.1
297.07309	0.1
299.02081	0.9
300.02762	63.8
301.03470	28.2
302.03827	2.1
315.07236	0.7
319.95557	0.1
335.26712	0.1
343.04590	0.5
372.57529	0.1
435.09351	6.2
436.09576	0.8
449.13568	0.1
536.19763	0.1
607.12823	0.3
608.13232	0.3
609.14746	100.0
610.15070	15.2
611.15277	0.5
612.15674	0.3
694.09369	0.1
1065.30151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99301	0.2
73.02950	0.4
80.02670	0.2
81.03477	0.8
83.01412	0.5
83.05038	2.0
84.02175	0.4
85.02960	8.5
87.00885	2.2
87.48360	0.1
89.02441	0.7
93.03468	6.1
94.03811	0.2
95.01408	0.4
95.05055	0.2
97.02986	0.2
98.20641	0.4
99.00902	0.2
99.04528	0.4
101.02448	1.0
108.02184	0.2
109.02953	1.2
109.06594	0.2
111.00934	0.3
111.04538	2.4
113.02467	0.8
119.03493	0.2
119.05063	0.1
125.02456	0.3
125.63786	0.2
127.04046	2.1
129.01952	0.2
130.04231	0.7
131.05122	0.2
133.02963	0.7
134.03772	0.3
135.04526	0.6
135.08177	0.3
137.02466	0.9
143.04999	0.2
144.05838	0.2
145.02951	0.2
146.03752	0.6
147.04454	0.2
151.04022	0.1
152.95940	0.2
155.03542	1.5
158.03770	1.1
159.04546	3.7
160.05319	2.9
161.02403	0.5
161.04453	0.2
161.06038	0.2
163.11313	1.0
165.12851	0.5
171.03029	0.5
171.04533	0.3
172.05321	10.8
173.04567	3.4
173.06076	4.5
174.03233	0.4
174.05067	0.1
174.06781	0.9
175.03940	0.3
175.07645	0.2
176.04848	0.2
177.02034	0.3
178.02702	0.3
179.03586	0.2
181.12334	0.2
183.04541	0.4
183.08131	0.2
184.05284	0.6
185.06088	2.0
186.03299	0.3
186.06870	2.0
187.04037	4.9
187.07602	0.7
188.04601	0.6
188.08551	0.2
191.05627	40.5
192.05965	1.5
197.06078	0.5
198.06828	0.6
199.04008	2.1
199.07652	0.5
200.04787	1.8
201.05588	3.6
201.09210	0.3
202.06357	6.0
203.03523	0.3
203.06769	0.4
204.04288	3.4
205.04761	0.2
209.11842	11.0
210.12173	0.6
211.04008	0.6
211.07683	0.6
212.04994	0.2
212.08377	0.3
213.05655	0.4
213.09229	0.3
214.06323	0.4
215.07176	0.2
226.06367	0.3
227.03514	5.9
227.07047	0.3
227.10867	0.3
227.12675	0.2
227.14648	0.2
228.04251	3.0
229.04808	0.3
232.03766	0.5
239.14427	1.1
240.14607	0.2
241.12350	0.6
247.71858	0.1
253.09247	0.4
255.13872	1.5
256.14377	0.2
257.15439	1.3
258.15753	0.2
265.12296	0.7
265.15955	0.2
267.13910	0.4
268.11093	0.2
271.13455	0.3
281.15469	0.6
283.13394	100.0
284.13739	9.5
285.14929	1.5
297.14926	0.4
299.16513	1.3
301.14453	19.3
302.14722	1.8
307.13315	0.2
309.14960	6.9
310.15350	0.7
311.12909	5.4
311.16196	0.2
312.13165	0.8
317.17676	0.2
325.14539	1.0
327.12350	9.2
327.16061	18.8
328.12720	0.9
328.16367	1.9
329.13931	1.3
339.15970	0.3
343.15637	0.3
345.13391	1.9
345.17114	4.5
346.17395	0.4
353.13931	4.8
354.14328	0.6
357.16913	0.3
370.07358	0.2
371.15015	1.8
372.15250	0.2
375.18109	0.3
379.09256	0.1
383.14865	0.2
401.15881	0.2
537.23517	1.3
538.24164	0.2
563.24353	0.5
565.23065	0.3
581.26245	1.9
582.25122	0.2
607.24426	0.7
625.25378	0.6
747.36267	0.5
773.35864	1.0
774.36182	0.2
775.35675	0.3
791.18127	0.2
791.20880	0.3
791.38708	11.5
792.39294	2.6
817.36749	12.5
818.37103	3.0
823.41180	0.5
835.37750	30.0
836.38293	7.4
849.39301	4.1
850.40161	1.3
867.40546	10.5
868.40924	2.8
952.59637	0.2
965.40680	0.2
1009.43188	17.0
1010.43512	5.0
1023.43909	0.3
1041.45728	38.2
1042.46021	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	1041.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02965	0.4
80.02691	0.2
81.03477	1.0
83.01403	0.5
83.05040	1.7
84.02183	0.2
85.02962	5.0
87.00892	1.4
88.98855	0.2
89.02447	0.9
93.03473	11.1
94.03822	0.4
95.01414	0.3
95.05049	0.3
97.02949	0.2
99.00910	0.2
99.04499	0.3
101.02458	1.2
105.03513	0.2
107.05065	0.2
108.02200	0.4
109.02984	1.0
111.00910	0.4
111.04533	2.1
113.02469	0.7
119.03534	0.2
123.78019	0.2
125.02471	0.5
127.04044	0.9
129.02019	0.2
130.04312	0.8
133.02986	1.2
134.03783	0.5
135.04556	0.9
135.08147	0.2
137.02463	3.1
144.05867	0.3
145.02975	0.2
146.03775	0.5
147.04526	0.3
155.03534	2.1
155.04785	0.3
158.03764	1.0
159.04535	3.7
160.01645	0.2
160.05325	3.0
161.02475	0.5
161.04539	0.2
161.05861	0.4
163.11340	1.1
165.12875	0.4
169.06638	0.2
171.03078	0.3
171.04503	0.3
172.05328	11.0
173.04573	8.8
173.06079	4.3
174.03287	0.4
174.04897	0.3
174.06918	0.8
175.04031	0.3
177.01949	0.7
178.02713	0.4
179.03534	0.5
183.04477	0.3
184.05278	0.6
185.06111	2.5
186.03238	0.6
186.06877	1.5
187.04050	4.9
187.07567	0.9
188.04622	0.5
191.05637	23.8
191.10751	0.5
192.05989	1.0
197.06097	0.6
198.06903	0.6
199.04039	1.4
199.07622	0.3
200.04836	1.3
201.05588	3.5
202.06389	5.9
203.03566	0.3
203.06798	0.3
204.04289	3.3
205.04895	0.2
209.11850	11.9
210.12204	0.7
211.04137	0.5
211.07710	0.6
212.08470	0.4
213.05554	0.4
215.07025	0.2
217.03398	0.3
225.66975	0.2
226.06425	0.2
227.03510	3.2
227.10768	0.4
227.12738	0.3
228.04257	1.5
232.03932	0.2
239.14397	1.4
241.12315	0.8
253.09358	0.3
255.13972	1.5
257.15469	1.4
265.12390	0.7
265.16116	0.3
267.13840	0.5
268.11075	0.3
271.13422	0.3
281.12149	0.2
281.15527	0.7
283.13406	100.0
284.13745	9.2
285.14948	1.5
286.15323	0.3
297.15192	0.3
299.16565	1.4
300.17004	0.2
301.14474	19.9
302.14847	1.9
309.14984	7.6
310.15433	0.8
311.12918	5.0
311.16086	0.2
312.13129	0.7
315.16080	0.2
325.14590	0.5
327.12366	11.5
327.16083	18.8
328.12695	1.0
328.16409	2.0
329.13974	1.2
339.16022	0.4
343.15198	0.2
345.13382	2.1
345.17133	4.9
346.13718	0.3
346.17532	0.5
353.13928	3.2
354.14264	0.4
357.17035	0.4
371.15143	1.2
375.18158	0.5
401.15704	0.3
419.16727	0.4
537.23492	1.7
538.24268	0.2
563.22211	0.3
565.23462	0.3
581.26178	2.6
582.25977	0.4
607.23914	0.4
625.25452	0.6
650.23529	0.2
747.36017	0.4
773.37061	1.2
774.37714	0.3
775.35931	0.4
791.38678	15.0
792.39063	2.8
805.37274	0.2
817.36737	6.9
818.37103	1.7
823.40039	0.8
824.40503	0.2
831.34827	0.2
835.37811	35.6
836.38275	8.7
849.39447	2.6
850.39850	0.5
867.40576	13.3
868.40900	3.2
965.41321	0.6
991.42200	0.3
997.43665	0.3
1009.43219	18.3
1010.43359	6.2
1023.43951	0.4
1024.42688	0.3
1041.45740	31.7
1042.46094	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	1027.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
81.69295	0.2
83.01392	0.7
91.01927	0.2
93.03495	0.9
93.88001	0.2
98.19733	0.4
107.01408	2.0
108.02219	0.7
109.02980	1.2
117.03547	0.2
121.02253	0.2
121.02986	1.4
124.01605	0.2
125.02476	0.3
131.05099	0.2
132.02214	0.3
133.02956	0.2
135.00891	1.0
143.05005	0.4
148.01656	0.8
149.02449	0.4
151.00392	7.5
152.00871	0.4
153.01965	0.6
157.06659	0.2
159.04547	0.8
161.02502	0.3
163.00412	3.0
164.01137	0.6
165.01968	0.4
167.05051	0.3
169.01434	0.5
169.06548	0.4
171.04463	0.5
173.06097	0.2
174.03287	0.4
175.04004	0.3
178.77301	0.2
178.99895	3.3
183.04478	0.6
183.50053	0.2
185.06050	1.0
187.03989	1.7
189.05585	0.7
190.99936	0.3
191.05614	0.4
192.00525	0.2
195.04539	0.5
197.06078	0.6
199.03941	0.9
200.04713	0.3
201.01860	0.2
201.05571	0.5
211.04021	1.9
212.04625	0.4
213.02097	0.2
213.05528	1.5
214.02611	0.3
215.03500	0.5
216.04361	0.4
223.04025	0.3
226.02739	0.8
227.03516	14.1
228.03920	1.2
229.05042	6.0
230.05333	0.4
239.03456	1.1
240.04216	0.6
241.05066	1.0
243.02985	5.2
244.03522	0.3
245.04607	0.7
254.02271	1.7
255.02985	41.3
256.03442	4.8
257.02118	0.1
257.04565	4.0
267.02942	0.7
270.01779	0.2
271.02475	31.5
272.02866	3.1
273.03946	0.6
283.02481	1.5
284.03268	37.9
285.04028	51.1
286.04401	3.9
298.01089	0.2
299.02014	0.7
300.02762	57.6
301.03494	30.9
301.07147	0.3
302.03854	2.0
327.05148	0.8
350.35236	0.2
431.06241	0.5
432.06473	0.3
433.07776	61.7
434.08105	6.2
541.04303	0.3
593.15155	100.0
594.15497	13.0
852.70355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	10.1
72.99298	0.9
73.02946	0.7
78.95886	0.7
83.01386	1.0
84.20358	0.4
85.02962	2.4
87.00880	0.5
88.04713	0.4
89.02451	4.3
92.89684	0.4
95.01388	1.2
96.78091	0.3
96.96072	0.7
98.20612	0.6
99.00880	0.6
99.92614	2.8
101.02457	6.1
113.02469	3.7
116.92886	20.0
117.01948	0.5
117.92883	1.2
119.03500	1.5
131.04971	0.5
133.02951	0.6
134.03760	1.5
145.06525	0.5
146.03777	2.9
147.04538	1.9
149.06084	0.4
158.03720	0.8
159.04541	4.9
160.05315	4.7
161.05946	0.6
171.04601	0.5
172.05348	4.2
173.06100	7.3
174.03241	1.4
174.06744	1.3
175.04051	1.1
180.06291	0.4
184.05305	0.4
185.06012	0.6
186.06937	2.1
187.04036	7.1
187.07701	1.5
188.04651	0.5
189.05553	0.6
191.05571	1.1
199.07616	0.4
201.05589	5.5
202.06378	31.0
203.06715	2.3
204.04211	0.7
211.13396	7.1
227.10880	0.5
239.14346	0.5
244.73216	0.4
255.13963	0.6
257.15472	1.1
264.61655	0.5
265.14890	0.6
267.14169	0.5
271.13489	0.6
272.97607	0.4
277.21725	4.3
278.21994	0.5
281.15421	0.6
283.13419	27.7
284.13693	3.1
285.14938	3.3
297.14954	0.6
299.16501	2.2
301.14505	9.7
302.14786	1.0
309.14996	7.6
310.15161	0.7
315.16043	1.1
317.14059	0.5
317.17642	0.9
325.14404	0.8
327.16031	26.2
328.16333	3.4
345.17084	8.0
346.17593	0.9
363.17963	0.7
382.12924	1.3
505.26379	0.7
507.22345	9.3
508.22681	1.1
525.23370	6.9
743.31659	2.1
761.32739	27.3
762.32733	4.8
841.48029	1.4
994.36676	0.4
1021.54126	100.0
1022.54382	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0246
Annotation	(S)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01875	11.5
57.03175	3.5
57.03452	55.8
59.01384	24.6
59.04564	1.9
70.77733	6.6
71.01395	18.2
73.02583	3.8
73.02955	40.1
82.29218	2.1
83.01406	6.4
84.43786	2.1
93.59141	2.3
101.02460	100.0
101.07449	2.1
102.02808	3.7
116.21826	2.5
118.41196	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	1009.432
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	2.2
72.99317	0.2
73.02946	0.5
80.02677	0.4
81.03466	1.1
83.01397	0.5
83.05040	1.8
84.02198	0.3
85.02960	6.4
87.00883	1.9
89.02437	0.9
93.03471	5.6
94.25707	0.2
95.01404	0.4
95.05034	0.3
97.03004	0.2
98.19786	0.3
99.00906	0.2
99.04539	0.2
101.02455	1.6
108.02229	0.2
109.02941	1.1
111.00884	0.2
111.04527	1.9
113.02472	0.9
119.05096	0.3
123.04538	0.3
125.02543	0.3
127.04044	1.5
129.01926	0.3
130.04268	0.7
130.34892	0.2
133.02977	0.9
134.03761	0.6
135.04529	0.6
135.08194	0.4
137.02473	0.9
145.02914	0.2
145.06615	0.2
146.03749	0.7
155.03571	1.4
155.04817	0.3
158.03720	1.1
159.04536	4.2
160.01682	0.2
160.05327	2.8
161.02472	0.6
161.04541	0.3
161.05876	0.3
163.04034	0.3
163.11320	1.3
165.12880	0.6
171.03014	0.3
171.04445	0.4
172.05322	13.2
173.04564	2.6
173.06082	4.2
174.03287	0.3
174.06839	1.1
175.04042	0.5
177.01973	0.3
179.03481	0.4
181.12387	0.2
183.04500	0.5
183.08171	0.2
184.05258	0.5
185.06116	2.3
185.79538	0.2
186.03241	0.6
186.06857	2.1
187.04033	5.0
187.07680	0.7
188.04602	0.5
189.01964	0.2
191.05629	30.8
192.05930	1.1
197.06119	0.6
198.06868	0.6
199.04018	1.9
199.07672	0.5
200.04802	2.0
201.05588	4.1
201.07462	0.2
201.61572	0.2
202.06378	6.2
203.03455	0.2
203.06633	0.2
204.04289	3.2
205.04729	0.2
209.11855	10.9
210.12146	0.8
211.04114	0.3
211.07608	0.6
212.08333	0.4
213.05602	0.4
213.09039	0.2
226.06360	0.5
226.09943	0.2
227.03508	4.6
227.06975	0.2
227.10738	0.4
227.12927	0.5
228.04243	2.4
230.92421	0.2
232.03778	0.5
239.10857	0.2
239.14406	1.3
241.12349	0.6
253.09399	0.3
254.08228	0.7
255.13962	1.7
256.14337	0.2
257.15530	1.3
265.12280	0.7
267.13895	0.4
268.10992	0.3
281.15491	0.6
283.13403	100.0
284.13739	9.6
285.04105	0.2
285.14948	1.5
297.14987	0.4
299.16525	1.6
301.14465	18.0
302.14801	1.9
309.11432	0.3
309.14957	5.9
310.15298	0.6
311.12930	5.4
311.16028	0.1
312.13367	0.6
325.14490	1.0
326.14563	0.2
327.12354	8.3
327.16064	16.8
328.12695	1.0
328.16406	1.8
329.13934	1.4
339.15973	0.2
343.15454	0.2
345.13422	1.5
345.17130	3.1
346.13632	0.3
346.17435	0.5
353.13907	4.1
353.17984	0.3
354.14276	0.5
357.17087	0.3
371.14999	1.7
375.18118	0.2
537.23315	1.2
538.23535	0.2
563.24438	0.4
581.26349	3.3
582.26440	0.3
607.24072	0.8
625.25220	0.6
747.36035	1.2
773.37238	1.5
774.36877	0.4
775.35858	0.5
791.17578	0.3
791.20874	0.3
791.38580	15.3
792.38995	3.0
817.36798	11.5
818.37164	3.3
835.37799	42.5
836.38342	11.8
836.54840	0.3
965.40259	0.2
1009.43243	43.2
1010.43500	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	1009.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	2.4
71.04736	0.4
71.24384	0.2
73.02952	0.3
80.02672	0.2
81.03472	1.1
83.01400	0.5
83.04340	0.2
83.04585	0.3
83.05025	2.0
85.02970	4.4
87.00890	1.2
89.02462	0.7
93.03471	10.1
94.03799	0.3
95.01395	0.4
95.05061	0.3
99.04509	0.3
101.02467	1.2
108.02190	0.3
109.02961	1.0
111.00888	0.5
111.04535	2.2
113.02460	0.6
125.02429	0.3
127.04034	1.2
130.04243	0.9
133.03029	1.1
134.03825	0.3
135.04539	0.6
137.02478	2.0
144.21844	0.2
146.03738	0.5
149.08841	0.2
155.03545	2.1
158.03758	1.4
159.04524	3.6
160.05324	2.8
161.02437	0.5
161.05957	0.2
163.11325	0.8
165.12897	0.4
171.03014	0.3
172.05324	12.5
173.04564	9.0
173.06050	4.5
174.03256	0.3
174.04897	0.4
174.06807	0.9
177.01991	0.6
179.03510	0.4
183.04590	0.6
184.05307	0.5
185.06090	2.7
186.03218	0.5
186.06902	1.4
187.04027	4.7
187.07675	0.5
188.04469	0.3
188.08336	0.2
191.05634	21.0
192.05963	0.9
197.06090	0.7
198.06891	0.5
199.04047	1.3
199.07668	0.5
200.04768	1.3
201.05585	3.8
201.09196	0.2
202.06374	6.0
203.03566	0.3
203.06763	0.3
204.04280	2.4
209.11848	10.6
210.12199	0.7
211.04068	0.3
211.07686	0.4
211.11456	0.2
212.08421	0.4
213.05583	0.2
213.09164	0.4
215.03636	0.2
217.03606	0.5
225.09244	0.3
226.06367	0.5
227.03511	3.9
227.10785	0.4
227.12733	0.4
228.04222	1.5
229.12106	0.2
237.12939	0.2
239.14502	1.1
241.12286	0.6
253.09047	0.2
255.13892	1.6
257.15509	1.4
265.12357	0.8
265.15164	0.2
267.13947	0.4
268.11072	0.3
281.15509	0.6
283.13400	100.0
284.13742	9.9
285.14960	1.2
297.14972	0.4
299.16501	1.4
301.14468	19.7
302.14893	2.1
309.14963	6.7
310.15317	0.5
311.12936	4.7
311.16245	0.2
312.13397	0.7
317.17758	0.2
325.14569	0.7
327.12347	10.5
327.16077	15.8
328.12637	1.3
328.16455	1.4
329.14029	1.4
329.17361	0.3
343.15268	0.4
345.13385	2.1
345.17136	4.3
346.17554	0.3
353.13953	2.9
354.14111	0.3
357.16907	0.3
371.15091	1.3
419.16684	0.2
529.94470	0.2
537.23499	1.5
563.24896	0.3
581.26465	3.9
582.25800	0.4
607.23895	1.0
625.25366	1.2
734.14069	0.2
747.36194	1.4
748.36847	0.3
773.36987	1.7
774.37244	0.4
775.35834	0.5
791.38519	17.9
792.38947	4.3
817.36761	9.2
818.37183	2.4
835.37775	48.3
836.38287	12.5
965.40088	0.9
966.42310	0.3
991.42639	0.7
1009.43201	36.0
1010.43451	12.3
1033.15686	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02942	0.1
77.45480	0.1
83.01393	0.4
85.02955	0.2
87.12474	0.1
87.16573	0.1
91.01875	0.2
92.30413	0.1
93.03476	0.7
95.01363	0.1
98.19817	0.2
99.04527	1.6
99.45672	0.1
101.02457	0.6
107.01417	1.2
109.02966	0.4
117.03461	0.2
121.03017	0.2
123.00911	0.2
125.02450	1.0
131.05081	0.2
132.02200	0.4
133.68459	0.1
135.00882	0.7
136.06972	0.1
141.07103	0.2
143.05043	0.5
145.02943	0.1
151.00400	1.5
153.01988	0.4
157.06645	0.3
159.03313	0.1
159.04460	0.6
161.02571	0.2
161.04645	0.3
163.00368	1.3
164.01193	0.2
164.22902	0.1
165.01927	0.3
167.05031	0.3
169.01505	0.1
169.06631	0.6
171.04501	0.4
173.02434	0.2
173.06035	0.2
175.04022	0.2
178.99867	0.2
183.04582	0.2
185.06068	1.2
186.06496	0.1
187.04031	1.5
188.04451	0.2
189.05554	0.6
191.05644	0.3
195.04489	0.4
197.06090	0.5
199.03960	0.6
200.04514	0.2
201.05565	0.2
211.03995	1.2
212.04674	0.3
213.05574	1.0
214.02600	0.1
216.89973	0.1
217.04970	0.2
223.04030	0.2
227.03496	15.2
228.03865	1.5
229.05058	6.2
230.05417	0.5
239.03496	1.0
240.04239	0.5
241.04974	0.8
243.02917	0.2
255.02979	28.3
256.03519	3.7
257.04529	3.8
258.04825	0.3
267.02985	0.7
269.10272	0.6
283.02420	0.2
284.03256	39.8
285.04016	53.9
286.04382	4.7
311.11356	0.4
327.05066	1.0
413.14508	1.6
414.15189	0.2
468.25464	0.2
593.15125	100.0
594.15485	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	1003.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47060	1.7
71.01395	1.1
73.02946	0.6
84.11679	0.2
85.02978	0.8
89.02477	0.3
91.63904	0.2
93.03474	24.5
94.03810	0.6
95.01419	0.4
97.02975	0.2
97.09561	0.1
97.10273	0.2
98.20718	0.2
99.00898	1.0
101.02480	0.5
108.02196	25.4
109.03020	4.1
110.03287	0.2
112.99620	0.2
113.02457	0.4
121.03009	0.4
123.00913	0.5
123.04572	0.2
125.02483	0.4
133.02965	0.4
133.05185	0.2
134.03748	0.3
135.04552	0.7
137.02473	36.1
138.02820	1.4
151.00388	0.3
151.04044	0.6
152.01181	47.7
153.01952	3.4
161.02460	0.4
161.04578	0.7
163.04048	2.2
165.02100	0.2
166.45276	0.2
173.04614	0.2
175.03975	0.2
177.01996	0.6
179.03554	0.7
191.05627	0.5
207.03143	0.2
237.04076	0.2
253.07280	0.3
271.08365	0.4
285.04089	0.7
297.06168	0.5
315.07156	0.9
429.10376	3.4
430.10864	0.3
435.09351	2.5
436.09888	0.3
447.11478	10.7
448.06396	0.2
448.11697	1.2
567.13635	100.0
568.13971	16.3
602.35461	0.2
847.78168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6031
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	8.0
69.07058	22.3
71.00842	1.8
71.04980	5.1
71.08630	0.8
73.02906	3.2
74.09717	0.7
77.03963	1.0
79.05480	57.2
81.03410	11.3
81.07041	89.1
83.04965	6.1
83.08601	13.1
85.02884	10.7
85.06528	4.9
91.03948	5.2
91.05003	0.7
91.05461	46.7
93.07027	71.4
95.04956	12.8
95.08591	53.5
96.08913	0.7
97.02875	7.8
97.06514	10.5
97.10160	5.3
99.04451	2.1
99.08084	2.3
103.05431	1.4
105.04498	1.3
105.07009	32.7
107.04935	4.5
107.08575	42.5
109.02852	1.7
109.06502	5.1
109.10135	23.7
111.04414	1.5
111.08054	4.7
111.11655	0.8
113.09659	0.8
115.03933	0.7
115.05460	1.4
117.07000	18.3
119.08561	28.6
121.06492	3.3
121.10123	30.1
123.04433	0.8
123.08057	3.4
123.11677	6.4
125.09601	3.9
127.03934	3.6
127.07498	0.9
128.06223	1.7
129.05463	2.0
129.06972	7.0
130.07811	1.2
131.08540	23.4
133.06458	1.4
133.10109	24.6
135.08061	4.2
135.11674	19.5
137.09608	3.0
137.13229	1.6
139.11151	1.8
141.06987	1.8
142.07748	1.2
143.08533	5.9
145.04945	2.5
145.06473	1.4
145.10092	19.3
145.11185	1.3
147.08054	1.4
147.11658	14.1
149.09596	6.8
149.13234	13.0
151.11192	1.7
153.09079	0.9
155.08572	2.7
157.10097	5.8
159.08051	1.3
159.11676	16.0
161.09656	1.0
161.13245	6.4
163.06010	1.7
163.11150	4.7
163.14821	2.0
165.12749	2.4
167.08517	1.1
169.10144	2.6
171.11627	4.8
173.04446	2.9
173.09618	0.9
173.11821	1.0
173.13210	9.6
175.11203	1.4
175.14821	2.2
177.12694	3.5
177.16431	0.9
179.14261	1.5
181.10100	1.2
181.12302	1.0
183.11702	2.5
185.13239	3.3
187.11278	0.7
187.14709	3.0
189.11229	1.3
189.12762	1.1
189.16383	1.2
193.12157	0.8
195.12154	0.9
195.13745	4.0
197.13228	3.0
199.14781	3.0
201.16373	1.7
203.14340	1.2
203.17958	0.7
211.14920	1.3
213.14673	1.0
213.16481	1.1
215.14255	1.0
215.17876	1.0
217.15837	1.5
219.17471	1.6
227.12755	2.6
229.14308	3.2
229.19478	1.4
235.16910	1.2
239.17947	2.3
243.21051	3.6
247.20613	1.5
255.15900	5.4
257.18961	7.1
259.20578	2.6
261.22086	12.1
267.15820	2.8
269.17419	25.0
273.18573	0.7
275.20016	19.6
277.21649	1.4
283.19144	1.0
291.19516	1.8
293.21121	2.3
299.20090	0.9
299.23639	0.6
309.20563	6.3
315.23071	1.0
317.24820	3.0
331.22729	3.1
333.24127	3.0
335.25760	100.0
336.26129	2.0
349.23669	24.3
367.24811	4.9
413.21545	2.3
423.32553	0.9
437.34058	1.9
455.35110	0.8
477.36731	1.1
489.35818	5.1
507.36832	0.8
511.37875	1.1
515.37299	15.3
517.40454	1.0
527.37390	0.7
529.38806	88.4
530.39056	2.1
543.40265	2.2
547.39856	1.8
551.40619	1.0
555.40485	0.8
569.41937	19.4
609.45062	37.7
610.46045	0.8
627.46143	13.3
633.38806	0.7
637.40295	0.7
649.39307	0.8
655.41785	0.9
673.43060	3.5
686.04364	0.7
691.44415	1.1
753.48572	1.1
771.50128	2.3
822.99585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	6.5
69.07060	14.8
71.04934	1.6
71.97811	0.4
73.02885	0.9
79.05481	24.7
81.03397	2.9
81.07043	29.8
83.04970	3.0
83.08607	7.4
85.02887	3.3
85.06484	0.9
89.93133	0.4
91.03898	1.9
91.05466	17.1
93.07028	26.6
95.04951	6.1
95.08591	23.7
97.02319	0.5
97.02877	7.1
97.06521	3.3
97.10153	8.8
99.08009	0.6
100.25854	0.5
105.04467	1.1
105.07018	12.8
107.04936	4.0
107.08577	16.5
109.02824	0.6
109.06526	2.2
109.10140	11.6
111.04462	0.5
111.08012	1.4
115.05387	1.0
117.07004	7.1
119.04861	0.9
119.08562	12.0
121.06492	2.4
121.10131	10.8
123.08032	2.3
123.11638	1.9
125.09619	5.6
127.03915	0.7
128.06175	0.6
129.06937	2.0
131.08551	9.4
133.06430	2.0
133.09293	0.5
133.10109	5.8
135.08067	2.5
135.11676	7.0
137.09552	1.6
137.13188	0.9
141.06966	0.6
143.08501	2.5
145.04872	0.5
145.06441	0.8
145.10118	6.0
147.08020	3.5
147.11671	4.4
149.09537	1.7
149.13246	3.5
151.11133	0.7
153.09003	0.6
155.08559	0.5
157.10104	2.4
159.07962	0.9
159.11668	3.6
161.09578	1.1
161.13190	2.1
163.11203	1.2
163.14775	0.5
165.09097	0.7
171.11591	1.2
173.09602	0.5
173.11713	0.8
173.13200	1.9
175.11276	0.9
175.14778	1.2
177.12766	0.9
180.43761	0.4
183.11578	0.6
185.13219	0.8
187.14818	1.4
189.11217	2.5
189.12599	0.6
193.12230	1.2
195.13686	1.0
205.12122	0.9
206.66934	0.6
211.13239	0.5
223.13268	15.2
227.12730	2.6
243.21045	2.0
245.19113	0.6
249.14828	2.3
259.20514	0.6
261.22089	5.8
263.19891	0.6
267.15848	1.0
273.18478	7.4
285.16702	0.6
291.19495	66.2
292.19742	1.6
294.15289	0.5
317.24649	2.1
335.25766	64.1
336.26028	1.2
342.72684	0.5
347.22095	1.7
365.23193	40.6
366.23383	0.8
505.35785	0.6
527.37396	1.1
533.40051	0.7
545.38141	4.9
607.43372	3.2
625.44550	100.0
626.45007	3.5
643.45978	1.4
787.48865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	5.8
69.07059	2.6
71.01325	0.6
71.04989	1.9
71.79189	0.8
73.02875	0.5
79.05020	0.4
79.05477	9.4
81.03403	28.1
81.06594	0.6
81.07041	9.5
81.84871	0.3
82.03693	0.5
83.04967	7.3
83.08606	5.4
83.94106	0.3
85.02898	5.3
85.06506	0.5
86.96980	0.4
91.05464	11.3
93.03362	0.6
93.07022	5.1
95.04388	0.6
95.04952	10.3
95.08599	4.2
97.02864	4.3
97.06521	1.9
97.10152	2.2
99.04422	1.6
103.05475	0.9
105.03390	0.9
105.07014	7.1
107.04942	4.3
107.08582	2.6
109.02846	5.6
109.06500	2.1
109.10114	1.5
111.04432	5.4
111.08067	2.2
115.05425	3.2
117.06980	1.8
119.04897	0.8
119.08553	5.2
121.02814	1.1
121.06443	1.2
121.10115	2.8
123.04418	2.9
123.08010	1.6
123.11640	0.5
125.09575	1.1
127.03871	3.2
128.06175	0.8
129.05437	1.2
129.06992	4.0
131.04874	1.1
131.08546	3.8
133.06491	2.1
133.10150	2.1
135.04378	1.0
135.08006	0.6
135.11700	0.9
137.02310	0.5
137.05963	0.8
137.09590	0.8
139.03865	1.0
139.05467	0.7
141.06979	1.7
142.07721	1.3
143.04904	0.4
143.08514	0.9
145.06459	1.3
145.10072	1.5
147.04346	1.8
147.07996	1.1
147.11659	4.2
149.05978	0.7
149.09569	1.8
151.16899	0.5
152.06146	0.6
153.05566	0.5
153.06969	2.7
153.12695	0.6
155.04880	0.5
155.08568	0.7
157.04959	0.7
157.06419	0.7
157.10103	3.1
161.05956	8.3
163.03891	1.7
163.11101	1.3
165.06972	1.0
165.12747	0.9
167.08525	1.4
169.06467	0.8
171.04332	0.6
171.06586	1.0
171.07993	1.2
173.05952	46.4
174.02890	0.4
174.06329	1.2
175.03838	0.5
175.07478	0.8
175.11186	2.9
177.05420	1.1
181.06461	3.6
181.10190	0.6
181.12207	0.8
183.04431	0.5
183.08037	1.0
185.05960	2.6
185.09550	0.5
187.03864	1.5
187.05951	0.7
187.07515	5.1
189.05460	3.9
191.10637	0.8
191.14224	0.9
193.06429	0.5
193.12202	8.9
195.08044	1.8
197.05952	3.2
198.06668	0.7
199.03897	2.0
199.07497	11.8
201.05435	21.8
201.09114	0.7
203.06999	0.8
205.04820	0.6
210.06708	0.7
211.07530	5.2
211.11302	0.4
211.13252	9.9
212.08133	0.6
213.05475	5.3
213.09048	6.8
214.06155	0.6
215.03435	0.8
215.07022	2.5
217.04922	100.0
218.05301	1.6
219.11859	0.6
219.13773	2.2
221.09589	0.5
223.07523	2.3
224.08299	0.5
225.05486	3.7
225.09044	1.6
227.06964	5.3
227.10643	1.0
227.12700	0.9
229.04942	3.4
229.08545	0.9
231.06381	0.5
234.06850	0.5
235.07449	0.5
237.09071	1.1
239.07024	2.0
239.10623	1.1
241.04956	2.3
241.08488	1.7
241.12212	0.8
243.06487	2.3
247.07472	0.7
247.11119	0.8
247.13403	0.5
249.09041	1.3
249.12610	0.6
249.14874	0.5
250.09776	0.7
251.07106	1.1
251.10666	0.8
253.08571	1.0
255.06529	0.5
255.13666	2.1
257.15347	1.0
263.07108	0.7
265.08563	0.9
265.12158	3.3
267.06555	0.5
267.13266	2.3
267.16119	4.6
273.07559	1.0
273.14960	0.8
275.10526	1.3
277.08740	0.6
279.06070	0.4
283.13223	4.6
285.14536	1.2
285.17377	2.3
286.09973	0.4
291.13620	0.6
293.11615	1.7
293.14725	0.4
301.14325	1.2
307.05969	0.5
309.14825	1.5
311.12741	24.9
312.13049	0.5
313.14307	7.7
319.12881	0.5
327.15906	1.5
329.13776	63.2
330.14130	1.2
337.14029	3.6
343.17242	0.4
347.14795	3.1
353.13986	0.7
355.15118	5.3
373.16537	2.1
377.17813	0.4
385.16385	63.4
386.16629	1.7
387.17941	1.5
403.17548	6.5
411.17828	3.2
419.14438	0.6
421.16238	0.5
427.17969	0.8
429.18915	4.0
437.16031	0.6
447.20081	0.7
455.17261	0.7
457.18365	0.6
485.17996	1.1
493.18570	0.6
501.26694	0.8
503.24411	0.6
529.19476	0.6
529.26526	0.8
535.26514	0.5
547.26447	0.6
559.21619	1.1
573.23199	1.9
577.28241	3.4
579.29736	0.6
593.30963	1.3
595.28906	16.0
596.90454	0.5
597.30566	0.6
603.30573	3.7
613.29755	4.8
621.30548	8.9
637.29846	1.1
639.31299	3.1
685.29669	0.6
695.30042	0.6
703.30627	1.1
721.32086	1.6
729.32849	1.0
739.33289	7.2
747.32935	1.3
751.32507	0.6
757.33783	4.6
765.34265	2.8
769.33942	5.9
783.35626	6.7
787.35254	2.4
795.35919	3.0
813.36450	5.8
831.37317	0.6
877.36395	0.5
913.37646	1.2
931.39276	0.6
939.38977	0.5
957.40460	4.0
975.42310	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	6.0
69.07047	2.2
70.03743	0.4
71.01316	0.8
71.04971	2.2
71.81033	0.7
79.05477	9.0
81.03403	30.5
81.06599	0.6
81.07043	9.7
83.04499	0.5
83.04965	8.7
83.08607	5.9
85.02881	4.8
85.06544	0.5
86.43542	0.4
86.99705	0.4
91.05468	11.3
93.03362	0.7
93.07027	6.0
95.01300	0.5
95.04381	0.6
95.04951	10.3
95.08601	3.7
97.02874	4.7
97.06506	1.8
97.10135	1.9
99.04414	1.6
103.05428	1.3
105.03337	0.9
105.07009	7.6
107.04926	3.5
107.08566	3.3
109.02857	5.8
109.06504	2.5
109.10110	1.7
111.04421	5.5
111.08047	2.5
115.05457	1.9
117.06985	2.3
119.08565	4.8
121.02824	1.6
121.06471	1.4
121.10132	2.9
123.04405	2.4
123.08016	1.3
123.11629	0.5
125.09613	1.3
127.03899	3.2
128.06177	0.6
129.05446	1.8
129.06978	3.4
131.04898	0.5
131.08533	3.4
133.06483	2.6
133.10143	2.4
135.04359	1.2
135.08040	1.0
135.11708	0.6
137.02281	0.8
137.09586	0.6
139.03841	1.2
141.06964	1.3
142.07700	0.9
143.08508	0.8
145.06442	1.8
145.10068	1.3
147.04413	2.1
147.07993	0.9
147.11646	4.0
149.05936	1.1
149.09564	1.8
151.03880	0.5
153.01768	0.5
153.05476	0.8
153.06955	2.0
153.12730	0.6
155.04869	0.7
155.08511	1.0
157.04980	0.7
157.06456	1.1
157.10124	3.9
159.04335	0.4
161.05959	7.9
163.03935	2.3
163.11125	1.2
165.05518	0.7
165.06932	0.7
165.12709	1.2
167.08508	1.6
169.06450	1.5
171.04405	0.6
171.06497	1.0
171.07939	0.7
173.05956	51.4
175.03833	0.5
175.07408	1.0
175.11194	3.3
177.05415	1.1
177.12793	0.4
179.08447	0.9
181.06453	4.2
181.10118	0.7
181.12068	0.5
181.31699	0.4
183.08051	0.9
185.05891	2.6
185.07368	0.4
186.47591	0.4
187.03873	2.1
187.05923	0.7
187.07483	5.1
189.05458	3.3
191.14352	0.5
193.06522	0.5
193.12215	8.5
193.62964	0.4
195.07971	2.3
197.05879	2.4
198.06721	1.0
199.03900	1.3
199.07507	12.9
201.05435	22.1
201.09146	1.2
203.06966	0.7
205.04948	0.5
207.08002	0.4
209.09502	0.8
210.06706	1.4
211.07515	5.7
211.13237	11.0
212.08067	0.4
213.05467	6.4
213.09035	7.5
215.03433	0.8
215.07036	2.8
215.10664	0.5
217.04922	100.0
218.05247	1.5
219.11772	0.5
219.13635	1.9
221.09601	0.7
223.07491	2.9
224.08246	0.5
225.05418	3.3
225.09036	2.1
226.06239	0.9
227.03525	0.5
227.06982	5.6
227.10617	1.1
228.07692	0.4
229.04958	2.6
229.08543	0.5
229.14342	1.0
231.06299	0.9
235.07448	0.8
236.08380	0.6
237.05612	0.6
237.09050	1.7
239.07066	2.2
239.10513	0.8
241.04866	1.9
241.08458	2.0
241.12166	1.0
243.06445	1.8
247.11208	0.5
248.08110	0.5
249.09103	1.4
250.10007	0.8
251.06999	1.0
251.10657	0.8
253.08546	1.0
255.06592	0.6
255.13785	2.0
257.15363	0.7
263.07092	0.6
265.08542	1.0
265.12204	3.5
267.13599	1.8
267.16019	3.8
273.07513	1.4
273.14883	0.9
275.10590	1.8
277.08514	0.5
279.06390	0.6
281.15433	0.8
283.13095	4.3
285.14316	0.7
285.17322	2.6
291.13834	0.8
293.11551	2.4
295.13193	0.6
299.16254	0.5
301.14474	1.0
309.14783	1.8
311.12741	23.0
313.14240	8.2
319.12808	0.7
327.15860	1.8
329.13785	67.2
330.14142	1.3
337.13998	4.2
347.14899	3.4
349.17474	0.5
355.15189	6.1
363.15826	0.5
367.16202	0.5
373.16537	2.3
385.16388	68.2
386.16803	1.8
387.17896	1.3
391.15207	0.6
403.17490	7.2
411.17828	2.7
417.17099	0.6
419.14651	0.5
421.16809	0.7
429.18958	5.9
437.15814	0.7
447.20172	0.7
455.16898	0.7
463.17752	0.6
485.17975	1.6
493.18591	0.6
499.19849	0.7
501.26828	0.9
503.24881	0.8
511.19360	0.7
529.19183	0.5
529.25659	1.5
541.21100	0.6
547.26520	1.1
559.21472	1.2
573.23138	1.8
575.30035	0.7
577.28516	3.5
579.29285	1.2
585.23132	0.6
593.30774	1.6
595.28888	17.0
597.30255	0.8
603.30206	4.4
613.29950	5.0
621.30597	9.9
629.30981	0.5
637.30023	1.0
639.31628	3.6
703.30804	1.4
705.31665	0.6
715.31299	0.5
721.31610	1.4
729.32214	0.9
739.33087	7.6
747.33136	1.3
751.32910	1.3
757.34131	4.7
765.34283	3.0
769.34192	7.7
783.35950	7.0
787.34869	2.3
795.35522	3.1
801.36267	0.5
813.37006	5.7
831.35547	0.5
895.36047	0.6
913.38049	1.1
931.38995	0.6
939.40131	1.0
957.41406	3.9
975.42126	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	970.6081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	3.1
69.06680	1.2
69.07053	22.9
69.75844	8.7
70.87988	1.0
71.04971	3.2
73.02888	3.4
76.00617	1.0
79.05478	66.2
81.03397	2.5
81.07039	79.8
83.04951	3.3
83.08600	10.2
85.02890	18.0
85.06525	3.0
91.03941	10.4
91.05460	63.2
93.07024	77.6
95.04956	10.9
95.08586	64.0
97.02872	7.9
97.06521	6.3
97.07061	1.0
97.10109	4.6
99.04438	1.8
99.08066	2.3
105.04509	2.1
105.07009	68.8
107.04951	1.8
107.08571	45.4
109.06493	4.2
109.10133	26.2
111.08080	2.1
111.11681	1.2
113.09647	1.2
115.05384	1.8
117.06991	24.0
119.08558	56.5
120.08880	1.1
120.68008	1.0
121.06448	1.8
121.10120	37.4
123.08088	2.3
123.11683	9.5
125.09604	2.4
126.80651	1.1
127.03905	4.7
128.06216	1.8
129.05472	1.2
129.06967	11.4
130.07710	1.4
131.08540	31.6
133.10101	49.5
134.73938	1.2
135.08047	2.1
135.11670	27.6
137.09615	1.6
137.13197	2.9
139.11082	1.3
141.06966	1.9
142.07735	2.4
143.08525	12.7
144.09315	1.6
145.04950	7.4
145.06039	1.0
145.10100	27.2
147.07979	2.0
147.11661	38.1
149.09644	1.8
149.13219	14.6
151.11166	1.3
155.08504	3.3
156.09296	1.1
157.10081	13.0
159.11668	25.3
161.09589	1.2
161.13231	25.2
163.05948	7.9
163.11182	1.6
163.14766	4.8
165.12756	1.3
167.08514	1.0
169.10049	3.3
171.11644	14.8
173.13211	17.4
175.11095	0.9
175.14796	8.9
177.12651	1.4
177.16389	1.9
179.08447	1.1
181.10120	2.1
183.11688	3.4
185.11653	1.7
185.13196	12.6
187.14783	5.7
189.12720	1.4
189.16461	1.6
195.11600	2.0
197.13258	3.4
199.14807	6.3
201.16348	2.0
203.14317	2.1
203.17892	1.1
211.14857	2.3
213.16322	4.1
215.17937	1.6
225.16344	1.9
229.16077	1.3
229.19431	1.3
231.21057	3.8
239.17966	3.0
241.17406	1.7
241.19545	21.3
243.21028	4.0
257.18967	8.3
259.20523	59.5
260.21100	1.7
261.22107	13.3
263.23550	1.3
271.20663	1.6
275.19965	1.9
277.21707	1.2
289.21570	1.6
297.21973	1.8
299.23859	1.4
301.21631	1.9
313.21555	1.3
315.23160	3.4
316.51682	1.0
331.22614	4.0
333.24173	54.7
334.24506	1.9
335.25748	82.2
336.26010	2.8
337.27307	6.0
339.26810	1.3
349.23926	1.9
351.25305	1.9
353.28421	1.6
367.22681	2.6
385.23779	1.5
393.27271	1.1
403.24316	1.5
418.19580	1.1
459.27609	1.5
477.36331	1.2
501.41129	1.4
503.36990	1.9
515.37415	2.5
519.41681	7.8
529.38934	1.2
537.42517	3.2
541.38501	1.2
543.39954	1.5
593.45593	19.3
609.45770	1.3
611.46545	100.0
612.47198	7.1
623.47058	2.2
635.45612	1.8
701.47101	5.0
719.48621	2.9
737.49347	3.5
755.50464	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	964.6189
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	42.7
69.03397	9.1
69.07056	20.6
70.00559	15.5
71.04963	4.0
71.08617	28.4
73.02895	2.4
77.93552	2.1
79.05477	28.9
81.03397	10.2
81.07038	54.5
83.04943	7.1
83.08592	16.8
85.02884	13.1
85.06511	3.1
85.10141	12.9
91.03931	5.7
91.05469	25.6
93.07025	35.1
94.07321	2.2
95.04955	7.5
95.08588	42.9
97.02864	9.2
97.06509	8.1
97.10165	11.0
104.74915	2.3
105.07001	20.7
107.04904	7.6
107.08581	24.9
109.02821	2.7
109.06492	5.7
109.10122	19.3
111.08013	5.6
117.07001	11.5
117.18016	1.9
119.08559	16.0
121.06470	4.5
121.10110	10.4
123.11657	7.2
125.09568	3.3
127.03917	5.2
129.06981	4.3
131.08556	13.4
133.10095	17.8
135.08049	2.6
135.11664	10.3
137.09605	4.2
143.08447	3.9
145.04919	4.4
145.10089	8.8
147.11678	6.7
149.09575	8.4
149.13229	6.7
151.11131	2.5
157.10123	4.5
159.11641	10.1
161.88757	2.3
163.11165	6.8
171.11656	3.4
173.04384	2.4
173.13252	3.5
175.11203	2.4
175.67303	2.0
176.54730	2.3
185.13298	2.9
195.13771	4.7
217.15755	3.1
227.12653	3.6
229.14330	11.4
230.08827	2.2
239.17842	2.6
239.23627	4.1
255.15881	8.9
257.18997	7.7
269.17401	35.5
275.20020	24.8
291.19382	2.9
309.20718	5.7
313.27301	100.0
314.27512	3.6
331.22388	4.7
349.23654	30.7
367.24826	3.9
467.36996	6.9
493.38760	16.8
507.40408	88.1
508.40305	4.2
521.41626	5.3
547.43433	20.5
569.45636	2.8
587.46539	43.8
605.47729	10.6
749.51453	2.9
903.21130	2.5
985.84717	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	956.6288
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	100.0
69.03407	4.0
69.07053	16.9
70.66415	1.3
71.01340	3.5
71.04958	5.0
71.08609	10.9
71.79308	2.1
73.02888	2.0
79.05479	44.6
81.03413	15.9
81.07037	66.6
83.04961	9.3
83.08603	16.2
85.02876	12.8
85.06514	2.7
85.10149	4.7
87.04436	3.8
91.05451	30.5
93.07020	42.4
95.04948	12.8
95.08585	46.5
97.02870	4.9
97.06512	4.0
97.10152	16.3
99.04391	2.0
99.08077	2.8
105.06996	17.7
107.04917	3.0
107.08578	24.4
109.06503	4.2
109.10135	59.7
111.04471	2.8
111.08060	3.6
117.06988	6.7
119.08546	15.9
121.10133	18.9
123.08022	2.4
123.11663	4.4
125.09606	15.9
125.43990	1.6
129.06940	3.0
131.08536	11.6
133.10097	8.7
135.07961	2.4
135.11688	11.1
137.09598	2.6
137.13187	2.6
143.10678	2.4
145.10063	6.4
147.11642	6.8
149.09599	1.8
149.13203	4.5
153.12686	3.0
155.10641	1.8
155.14262	9.7
157.10060	2.1
159.11699	3.4
161.13182	3.4
163.11154	4.8
163.14795	2.6
173.09694	1.4
173.10208	2.1
173.11681	18.1
173.13194	6.4
175.14821	3.2
181.12285	1.7
187.14749	1.9
193.12190	3.2
199.13226	6.0
199.16905	4.3
209.11713	3.3
211.13263	2.3
227.12744	5.6
229.14297	29.1
243.21086	3.0
261.22079	11.4
264.24860	1.6
267.15823	5.6
272.10040	1.6
296.10614	1.8
301.16547	9.8
317.24622	1.9
327.23669	1.9
335.25739	92.2
336.26028	1.6
457.45761	1.6
477.35590	4.6
485.34622	1.7
489.35733	14.7
499.32574	79.0
527.37036	4.2
543.36560	3.5
545.38043	2.1
561.37549	6.5
624.13928	1.6
759.40625	2.7
759.53876	54.6
760.53302	1.9
761.89136	1.8
821.04236	1.8
858.72388	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	86.0
69.03406	3.3
69.07056	30.6
70.84911	3.3
71.04953	2.4
71.08611	2.0
73.02897	6.3
79.05478	42.4
81.03404	2.5
81.07040	100.0
82.07388	1.7
82.64288	0.8
83.04967	2.8
83.08599	18.0
83.58333	0.8
85.02892	25.9
85.06525	3.4
91.03941	16.3
91.05455	25.6
93.06416	1.8
93.07027	55.6
95.04949	5.4
95.08589	75.8
96.08932	1.0
97.02876	13.9
97.06501	4.3
97.10147	10.1
98.61105	0.9
99.04429	1.5
99.08064	2.2
101.02320	1.0
105.07011	22.1
107.08571	32.7
109.06487	2.3
109.10133	36.5
111.08081	3.5
111.11713	2.4
111.12498	1.0
112.04967	1.1
113.09675	0.9
117.06994	8.5
119.08558	20.7
121.09235	1.6
121.10117	26.6
123.08037	1.6
123.11677	13.9
125.09599	2.1
125.58739	1.1
127.03894	7.8
131.08543	13.1
133.10103	18.8
135.11664	18.0
135.12622	1.4
137.13228	3.0
139.11159	1.8
140.57475	0.9
143.08517	1.3
145.04947	8.0
145.10104	12.0
147.11659	12.2
149.13242	13.5
151.14824	1.2
157.10150	1.1
159.11662	8.3
161.13237	11.9
163.05995	13.4
163.14816	8.0
165.16362	1.5
171.11658	2.8
173.11919	1.4
173.13220	7.1
175.14809	5.8
177.16336	2.7
180.08853	1.0
185.13249	1.2
187.14777	5.3
189.16374	1.8
199.14867	1.0
201.16350	1.7
205.19585	1.1
205.48102	0.9
217.19363	1.2
233.22675	1.1
241.19516	3.4
243.21043	8.9
245.22604	3.5
259.20541	7.7
261.22092	26.8
263.23645	5.1
279.23181	1.1
301.24850	1.1
309.28436	1.0
317.24847	4.9
319.26276	1.5
329.24622	1.2
329.28564	1.0
333.24118	5.3
335.25748	89.9
336.26047	2.7
337.27301	95.1
338.27603	1.4
339.28864	9.7
350.58981	1.0
375.28574	1.0
505.44330	1.8
523.45197	5.3
541.46411	1.9
545.42389	1.3
597.48682	48.0
615.49707	71.2
616.50098	2.0
772.95648	1.4
775.68335	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6133
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	55.3
69.03422	2.4
69.07056	13.9
69.46385	2.6
69.46810	1.6
71.04979	1.8
71.11555	0.4
71.48979	0.4
73.02903	4.2
77.03934	0.7
79.05478	34.6
80.05801	0.5
81.03410	1.7
81.07040	59.2
82.07365	0.8
83.04968	2.0
83.08604	7.3
85.02890	17.7
85.06528	1.8
91.03940	10.7
91.05463	22.9
93.07025	45.3
94.07312	0.5
95.04965	4.2
95.08588	48.1
96.08916	0.5
97.02877	9.3
97.06502	2.8
97.10159	4.0
99.04461	1.1
99.08073	1.0
103.03923	0.4
103.05450	0.8
105.04517	0.9
105.07011	18.7
107.08572	26.1
109.02853	0.9
109.06472	2.0
109.10136	22.6
111.08049	1.4
111.11704	1.1
113.09624	0.6
115.03947	0.6
115.05445	0.7
115.57759	0.4
117.06998	7.8
119.07707	0.9
119.08559	17.0
121.06583	0.4
121.10121	23.3
123.08055	1.2
123.11684	9.1
123.12595	0.5
125.09562	0.9
127.03896	5.1
129.05508	0.5
129.06985	1.8
131.08539	14.0
133.10106	14.5
135.01019	0.4
135.08076	0.6
135.11664	16.1
137.09584	1.3
137.13252	2.8
139.11183	0.8
143.08530	2.3
143.09492	0.4
144.06604	0.6
145.04922	6.2
145.10092	10.7
147.11659	11.2
149.09550	0.8
149.13229	11.1
151.11229	0.6
151.14781	1.1
155.08484	0.5
157.10056	2.1
159.11665	8.9
161.13239	9.2
162.07704	0.5
163.05986	7.2
163.11185	0.9
163.14755	3.7
165.12711	0.5
165.16295	0.5
169.10092	1.0
171.11598	2.0
173.13232	8.6
175.14795	3.8
177.12729	0.8
177.16335	1.5
179.14302	0.8
179.17952	0.4
183.11809	0.5
185.13242	3.3
187.14799	3.7
189.16376	1.2
191.14229	0.4
191.17964	0.7
193.15947	0.5
196.23123	0.4
197.13269	0.7
199.14825	1.9
201.16324	1.9
203.17992	0.6
205.15805	0.5
213.16505	0.8
215.17978	0.9
217.15990	0.5
217.19444	0.8
225.16313	0.5
227.18120	0.6
229.19447	0.5
231.17320	0.6
231.21013	0.9
233.18881	0.5
233.22580	0.7
239.17934	0.4
241.19614	4.5
243.21034	5.7
245.22675	0.8
257.19055	0.8
259.20523	10.4
261.22101	19.5
262.22552	0.5
263.23645	1.7
273.22058	1.0
275.19919	0.6
277.21597	0.9
279.23175	0.5
283.22601	0.7
285.22144	0.7
289.25079	0.5
299.23636	1.1
309.24170	0.5
313.25247	0.5
315.23145	0.9
317.24805	4.5
317.28299	0.8
327.26758	0.7
333.24182	8.5
334.24719	0.5
335.25748	100.0
336.26016	2.7
337.27313	14.3
343.26096	0.5
347.25766	0.6
350.78305	0.4
353.26935	0.7
355.29990	0.6
369.31537	0.5
430.97754	0.4
451.35675	0.6
471.34634	0.6
489.35999	0.6
491.37421	0.5
503.42697	0.9
505.39050	0.6
517.38892	0.8
521.43549	3.6
529.39398	0.6
531.40070	0.7
539.44318	1.3
543.40106	1.2
595.47119	19.7
596.47711	0.4
613.48169	28.6
614.48132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	3.9
67.06313	0.3
69.03420	3.3
69.07069	1.1
69.51335	1.5
69.51762	2.2
71.04989	1.1
73.02901	4.4
79.05477	2.6
81.03394	2.9
81.07039	3.2
83.08622	1.2
85.02882	6.3
86.09698	0.4
87.04446	0.4
91.03931	3.8
91.04359	0.3
91.05447	2.6
93.07032	2.6
95.04972	1.3
95.08579	2.7
97.02863	6.1
97.06512	0.5
97.10191	0.6
98.21523	0.4
99.04449	0.9
101.02346	2.0
103.03920	0.5
105.07037	1.2
107.08599	1.6
107.80516	0.4
109.02879	0.8
109.10183	0.9
115.03941	0.6
117.07016	0.4
118.75821	0.3
119.08596	1.0
121.10120	1.8
126.58850	0.3
127.03913	1.5
129.06941	0.4
131.08557	0.9
133.10149	1.0
134.09746	0.4
135.11710	0.8
142.21558	0.4
145.10118	0.5
147.11697	0.7
149.09631	0.7
157.10124	0.4
185.04259	1.2
193.12227	0.6
203.05309	0.6
243.08334	2.2
267.15915	0.7
283.15125	3.6
335.25851	0.7
337.26544	0.4
347.09479	3.0
363.09286	0.4
365.10565	0.8
405.13596	6.4
501.22934	6.3
502.23007	0.4
519.29126	7.9
597.47839	0.4
617.39856	0.4
663.28174	4.7
681.34473	8.5
779.45166	1.8
941.50629	100.0
942.50891	7.9
942.69611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	5.1
66.97874	1.5
67.05492	89.6
69.03419	7.2
69.07055	23.2
71.04971	6.3
71.81073	1.7
71.81434	1.7
73.02895	4.0
79.05012	2.5
79.05479	65.6
81.03402	10.3
81.07042	80.4
83.04974	14.6
83.08606	17.5
85.02895	17.8
85.06508	5.8
91.03931	10.5
91.04903	3.0
91.05464	54.2
93.07025	81.8
95.04944	10.9
95.08589	59.5
97.02870	18.9
97.06506	9.8
97.10142	10.2
99.04432	3.6
99.08067	3.5
101.05962	1.4
105.07012	40.9
107.04932	9.0
107.08572	50.4
109.02877	2.7
109.06487	8.9
109.10133	36.4
111.04431	14.3
111.08052	5.1
111.11682	1.9
115.05400	2.7
117.06996	18.0
119.08570	37.1
121.06463	5.3
121.10127	49.2
123.08066	7.9
123.11692	9.2
125.05954	3.3
125.09579	7.4
127.03887	7.0
129.07005	8.4
131.08551	27.9
133.06474	2.7
133.10100	23.2
135.08015	5.2
135.11671	27.7
137.05916	1.7
137.09586	7.8
137.13301	1.8
139.07442	2.8
139.11139	8.1
141.06941	2.8
143.08549	10.7
145.04955	5.3
145.06473	3.6
145.10095	29.6
147.08014	4.8
147.11671	14.0
149.09586	10.6
149.13269	9.4
151.11163	4.5
155.08586	2.6
157.10054	8.5
159.07971	2.1
159.11656	16.3
161.09624	3.9
161.13219	9.7
163.05988	5.8
163.11171	9.2
163.14693	1.5
167.10643	4.7
169.10168	2.1
171.11662	5.5
173.09599	5.9
173.11676	4.6
173.13237	11.0
175.11151	3.0
175.14772	4.4
179.10817	1.7
181.10107	2.8
181.12190	4.1
183.11630	3.2
185.11728	2.3
185.13232	4.6
187.11200	3.1
187.14728	4.5
189.11179	4.9
191.10663	9.2
193.12180	2.6
197.13239	3.8
199.14902	3.8
201.16341	3.4
203.12657	2.5
209.11687	46.9
209.13141	2.2
211.14850	1.8
213.14799	2.4
217.15752	1.6
225.16420	1.5
227.12712	13.6
229.14311	11.2
241.14281	8.2
241.19521	1.9
243.15941	2.7
243.21007	5.1
255.15776	2.1
259.15305	4.4
259.20502	6.3
261.22064	14.1
265.14429	1.9
267.15778	2.8
271.20511	1.8
273.22147	2.9
283.15344	23.4
283.20193	1.8
285.21970	2.4
289.21518	3.6
291.23199	1.7
299.23544	1.8
301.16434	27.4
301.21655	4.2
303.23196	9.3
304.76520	1.5
315.23254	7.9
317.24588	5.0
319.22409	1.8
333.24127	4.0
335.25760	57.5
375.24936	3.2
377.26791	3.0
389.26801	4.3
409.25906	1.9
415.29388	2.2
433.30707	5.2
451.32175	7.7
463.21744	1.6
469.33014	9.3
487.34256	7.3
501.35779	9.6
507.34753	2.4
515.37421	3.5
519.36713	2.7
521.56812	1.8
525.35632	13.1
543.36755	78.2
544.37061	2.6
561.37787	100.0
562.37830	3.5
579.38794	22.6
705.41064	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	937.584
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.8
69.03413	3.4
69.07079	0.8
70.80123	0.5
71.01340	0.5
71.04977	0.8
71.08644	1.3
71.81054	0.6
73.02898	3.4
79.05480	1.2
81.03423	1.5
81.07053	1.9
83.08612	0.6
85.02885	6.4
85.10187	0.7
88.01865	0.5
91.03949	3.8
91.05505	1.0
93.07043	1.6
95.08568	2.4
97.02879	6.1
99.04452	1.0
101.02386	1.8
105.07016	0.7
107.08584	0.6
109.02890	0.5
109.10185	0.8
123.11694	0.6
127.03955	1.6
145.04996	0.6
185.04170	0.8
203.05295	0.9
234.89108	0.6
243.08434	1.2
253.25940	0.5
313.27322	1.0
336.76254	0.6
347.09546	1.2
363.01276	0.5
365.10666	1.3
405.13620	5.4
449.70984	0.6
497.30789	3.6
519.29431	5.8
659.35992	3.6
681.34460	6.6
692.86780	0.7
775.53119	1.2
810.45929	0.6
937.58398	100.0
938.58832	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	936.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.9
67.05493	61.2
69.03418	3.3
69.07056	13.1
71.01363	0.6
71.04993	3.8
71.08622	0.8
72.24596	0.5
73.02895	2.3
74.38689	0.5
79.05479	42.1
81.03404	82.3
81.07040	65.0
82.03725	1.0
82.07385	0.7
83.04962	6.7
83.08604	22.7
85.02882	8.6
85.06532	2.5
89.41170	0.7
91.03946	5.9
91.05463	32.2
93.07026	49.9
95.04950	32.6
95.05569	1.3
95.08588	47.7
97.02887	6.7
97.06511	4.3
97.10143	9.5
98.20637	1.4
99.04422	0.7
99.08071	1.7
99.85291	0.5
103.05453	0.9
105.04498	0.7
105.07012	28.0
107.04939	8.3
107.08575	30.8
109.02850	1.5
109.06491	5.3
109.10138	23.7
111.04424	1.7
111.08068	7.6
111.11707	0.7
115.05452	1.4
117.06985	9.3
119.04919	1.0
119.08562	26.5
121.06454	3.7
121.10122	27.4
123.04417	2.8
123.08044	4.2
123.11674	7.7
125.09585	5.9
127.03883	2.8
128.06154	0.7
129.05431	0.7
129.06982	10.4
131.04837	0.8
131.08546	20.7
133.06488	3.3
133.10104	16.3
135.08064	2.1
135.11678	15.2
135.12720	0.8
137.06026	0.9
137.09602	2.2
137.13258	2.0
139.11174	0.9
141.06929	0.8
142.07722	2.8
143.08563	3.1
145.04947	3.1
145.06470	0.9
145.10098	11.9
147.04382	1.5
147.08003	3.8
147.11650	17.1
149.09612	5.4
149.13228	7.8
151.11165	1.9
153.09064	0.7
155.08553	1.8
157.10103	10.9
159.07956	0.8
159.11687	8.2
161.06007	0.7
161.09555	1.3
161.13263	5.7
163.05975	5.4
163.11122	3.7
163.14775	4.9
165.12730	2.1
169.10036	1.3
171.10263	0.6
171.11664	2.3
173.09630	0.9
173.13222	6.6
175.11165	9.7
175.14771	3.3
177.12718	1.2
177.16347	1.3
179.14285	0.7
183.11734	1.4
185.13306	2.6
187.11140	0.9
187.14786	4.0
189.05418	1.4
189.11185	2.6
189.12630	1.1
191.14314	1.3
193.12206	22.6
193.15889	0.8
195.11592	0.8
199.14825	1.5
201.16315	2.0
203.10619	0.6
205.12289	1.2
207.13814	0.9
209.13248	0.6
211.13245	2.0
213.16443	0.8
215.17953	0.6
219.17451	1.1
223.13196	1.1
227.12715	7.5
231.13808	0.8
233.15401	0.8
233.18977	0.6
233.22656	1.0
235.13199	3.5
237.14708	0.6
243.15895	0.7
243.21027	6.9
247.16867	1.3
249.14836	2.6
255.13779	0.6
259.13287	1.9
259.20581	0.9
261.22104	23.2
265.14395	0.8
267.15860	99.0
268.16263	2.0
273.14850	1.9
279.23184	2.1
281.21240	0.8
283.23868	0.7
285.22128	1.7
287.19894	0.7
293.21054	0.9
295.22815	0.8
299.23624	0.6
301.14334	2.4
301.25146	6.2
303.23315	1.3
307.18832	0.8
309.16940	6.1
317.24677	3.6
319.15375	0.9
323.22208	0.6
333.16971	0.8
335.25754	100.0
336.26028	4.0
341.24725	1.2
359.25647	2.0
389.23236	0.8
393.18829	0.8
403.24484	0.9
411.20395	0.8
417.31046	0.8
421.25705	3.1
431.28113	0.8
435.27188	2.6
435.32523	4.9
443.57645	0.6
447.27316	0.7
449.28818	2.0
453.33542	7.8
461.29010	1.2
463.30551	0.9
471.34772	5.8
475.30554	1.1
497.30127	0.6
509.36130	2.2
527.37250	81.5
528.37311	3.7
545.38306	91.0
546.38599	4.7
559.39618	2.5
569.38348	13.2
570.38696	1.0
577.40814	1.5
587.38818	2.8
593.37891	0.8
611.39343	3.1
623.39417	4.1
624.40503	0.7
635.39282	4.2
653.40485	3.6
671.41309	4.5
672.41864	0.7
689.42224	0.9
833.65350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.3
66.04714	0.9
67.05491	41.3
69.03411	2.9
69.07057	12.1
71.01319	1.7
71.04980	6.8
71.08588	1.2
71.79929	1.1
73.02899	1.8
79.05474	39.5
81.03401	16.9
81.07037	45.6
83.01293	1.3
83.04962	8.6
83.08610	8.2
85.02415	1.5
85.02887	10.1
85.06509	3.1
88.85275	1.0
91.03932	6.3
91.04899	1.8
91.05457	25.8
91.37090	0.8
93.07026	44.3
95.04955	11.8
95.07982	1.9
95.08587	33.0
97.02869	9.8
97.06513	6.7
97.10138	3.3
99.04428	2.2
99.08066	1.8
103.05441	1.2
104.41554	0.8
105.07009	17.8
107.04939	11.8
107.07883	1.8
107.08569	24.2
109.06490	6.4
109.10130	13.8
111.04430	16.7
111.06352	0.9
111.08051	4.4
112.07573	2.4
113.05977	3.4
113.79580	0.9
115.05444	1.6
117.06998	12.5
119.08565	15.1
121.06479	6.0
121.10125	19.6
123.08058	5.0
123.11689	3.2
125.05972	4.1
125.09588	2.1
127.03869	1.5
129.07016	2.5
130.07835	1.2
131.08543	12.2
133.10120	8.1
135.08028	2.2
135.11665	19.8
137.09625	2.1
137.13266	1.7
143.08510	1.6
145.06418	1.7
145.10094	21.5
147.08038	3.5
147.11638	4.7
149.09613	2.4
149.13281	4.8
151.11153	1.3
153.12698	6.3
155.08490	3.3
157.10081	1.9
159.11649	3.8
161.09615	1.2
161.13219	3.3
162.56680	0.9
163.11153	21.4
173.09535	6.2
173.13239	3.9
177.12633	1.2
181.12184	3.9
183.11534	1.1
185.13216	1.4
187.11060	1.7
187.14777	1.7
191.10652	7.6
209.11688	7.6
223.13245	10.8
227.12793	6.3
241.14305	12.5
243.21036	2.3
261.22165	7.0
262.22604	1.0
265.14288	5.4
267.15634	2.2
280.99783	1.0
283.15369	13.7
297.16882	1.3
299.23651	1.2
313.27448	1.2
314.27805	1.5
315.17960	31.2
316.18475	1.1
317.24728	2.1
321.22424	1.0
333.24222	1.7
335.25742	63.6
336.26147	3.2
433.30923	1.7
451.31879	2.7
525.35651	9.7
543.36731	71.7
544.37158	2.5
557.38129	1.7
561.37775	2.4
575.39343	100.0
576.39490	1.7
610.45392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	1.4
67.05491	32.4
69.03393	1.3
69.07054	10.5
71.04965	1.2
71.08615	18.2
71.81591	0.7
73.02897	4.0
77.03899	0.7
79.05473	18.5
79.15790	0.3
81.03370	1.0
81.07035	36.8
82.07370	0.3
83.04935	0.8
83.08601	9.6
85.02886	14.8
85.06489	1.0
85.10165	10.6
89.05994	1.3
91.03353	0.5
91.03937	10.0
91.05460	8.9
93.07021	24.4
95.04947	2.3
95.08583	36.6
96.04479	0.6
96.08928	0.8
97.02320	0.6
97.02876	8.1
97.06499	1.7
97.10142	4.4
99.04395	0.7
99.08034	0.6
99.11664	0.5
102.27038	0.4
103.07538	1.1
105.04459	0.4
105.06319	0.5
105.06997	7.3
107.08567	13.8
109.02874	0.6
109.06498	0.8
109.10134	16.1
111.08056	0.9
111.11691	0.8
113.09621	0.6
115.03893	0.8
117.06999	2.7
119.08559	7.3
121.10120	12.8
123.08044	0.4
123.11674	6.8
125.09583	0.6
127.03881	4.9
129.06905	0.4
131.08533	7.2
131.10597	0.4
133.10106	5.5
135.11664	9.5
137.09547	0.7
137.13222	2.3
139.11118	0.6
145.04924	5.5
145.10100	4.7
147.11662	4.1
148.97704	0.4
149.13225	7.2
151.14749	1.4
159.11670	4.3
161.13249	3.1
163.05975	6.5
163.14764	4.3
165.12622	0.4
165.16344	0.5
173.13210	5.0
175.14815	1.5
177.12746	0.5
177.16333	1.6
179.14395	0.4
180.08568	0.5
187.14760	2.2
201.16310	0.7
215.17946	0.6
221.22559	0.4
233.22586	1.6
239.23627	2.8
243.21016	8.9
257.24722	2.3
261.22083	40.1
262.22406	1.0
279.23013	0.9
298.27316	0.6
298.58456	0.3
299.23663	0.8
313.27286	100.0
314.27515	3.0
317.24680	5.9
335.25720	80.7
336.26056	3.0
339.05164	0.4
497.30991	0.5
499.44962	1.1
517.45782	0.4
520.78333	0.4
573.48639	44.8
574.49091	3.3
591.49701	11.3
592.49969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03900	2.5
67.05495	50.4
69.03425	3.1
69.07059	10.4
71.01313	1.5
71.04977	2.9
71.08600	1.0
71.79256	0.6
71.79668	0.9
73.02895	3.4
79.05008	0.8
79.05480	29.7
81.03399	5.3
81.07043	51.5
82.07336	1.0
83.04978	4.1
83.08604	14.9
85.02889	12.6
85.06497	2.0
87.04450	0.8
91.03947	8.7
91.05465	32.0
93.07030	45.9
95.04951	10.0
95.08591	36.3
96.04448	0.8
97.02317	0.6
97.02882	9.4
97.06509	4.4
97.10157	4.0
99.00800	15.1
99.04404	1.7
99.08052	1.3
103.05425	2.3
105.06328	1.0
105.07021	24.3
107.04929	5.3
107.08575	25.3
109.02258	0.7
109.02872	9.3
109.06480	3.4
109.10138	18.9
111.04411	1.7
111.08070	4.5
112.07550	2.7
112.08253	0.7
113.06000	3.4
114.53481	0.6
115.03896	2.5
115.05404	0.8
117.07006	8.2
119.08565	16.9
121.06489	6.4
121.10129	17.0
123.04417	1.7
123.08014	2.9
123.11706	7.0
125.09560	1.0
127.03904	6.0
127.11289	0.7
128.06175	1.2
129.06976	1.6
130.07741	0.7
131.08546	9.3
133.06432	1.7
133.10107	38.9
134.10445	1.3
135.07997	1.7
135.11674	12.8
137.05939	1.7
137.09628	1.5
137.13228	1.8
139.07503	2.5
143.08540	6.3
145.04932	3.9
145.06465	1.0
145.10100	7.2
147.04337	0.9
147.08041	1.2
147.11661	4.6
149.09656	1.2
149.13248	5.8
151.11177	11.6
153.06963	0.7
157.10071	0.9
159.11647	5.5
160.12178	0.6
161.09590	18.4
161.13217	3.5
163.06064	3.8
163.07210	0.8
163.11234	1.4
163.14731	3.3
164.80879	0.7
165.09131	1.1
169.10080	1.1
171.08099	3.5
171.11647	1.4
173.08014	0.8
173.13226	4.6
175.14807	1.9
177.16301	1.5
179.10631	9.2
187.14784	3.1
189.09100	8.9
189.10881	0.8
197.11739	3.3
197.13307	0.7
205.15918	0.8
207.10138	3.4
225.11165	12.9
227.12711	1.5
233.22615	1.1
243.12315	2.8
243.21046	6.8
259.20499	0.9
261.22107	21.8
277.21634	1.7
279.23172	1.0
281.13809	4.6
287.23843	0.8
291.23059	0.7
299.14856	97.9
300.15353	1.9
315.23187	2.9
317.24710	4.4
333.24371	0.7
335.25760	100.0
336.26154	3.8
341.72339	0.6
416.74838	0.7
421.31100	1.1
439.31747	0.8
449.30588	2.1
467.31497	4.7
485.32690	4.8
499.30334	0.7
503.33963	1.3
513.35754	4.3
515.37341	2.2
523.34015	1.4
531.36816	4.9
533.38794	0.7
541.35193	18.8
542.35858	0.8
559.36230	73.8
560.36560	3.5
566.18677	0.8
577.37488	4.5
671.41223	1.4
918.45392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.8
67.05495	38.5
69.03405	2.2
69.07060	8.6
69.57221	10.1
70.55081	1.0
71.01308	0.9
71.04975	2.9
73.02912	2.6
79.05482	25.5
81.03407	3.7
81.07044	38.7
83.04973	2.6
83.08603	11.5
85.02891	9.8
85.06532	2.5
91.03944	7.2
91.05464	25.6
93.07030	33.9
95.04965	8.9
95.08590	28.0
97.02881	8.9
97.06511	2.7
97.10164	3.4
99.00797	11.6
99.04477	1.3
99.08106	1.5
103.05421	1.5
105.04520	1.7
105.07012	18.3
107.04967	4.9
107.08575	18.1
109.02877	6.2
109.06488	3.8
109.10149	13.7
109.40034	0.9
111.04446	1.5
111.08065	5.3
112.07579	1.9
113.05950	2.9
115.03904	2.2
115.05509	0.9
117.06996	6.2
119.08573	14.5
121.06496	6.3
121.10122	15.6
123.04443	1.6
123.08047	2.1
123.11714	6.9
125.09602	1.2
127.03889	5.8
128.06198	1.4
129.06923	1.8
131.08524	7.6
133.06477	2.2
133.10110	33.4
135.08012	1.5
135.11673	8.8
137.05954	1.4
137.09584	1.7
137.13297	1.3
139.07492	1.9
141.05392	1.0
143.08543	5.4
145.04942	2.8
145.09122	1.1
145.10052	6.0
147.08090	1.4
147.11653	4.4
149.13261	5.9
151.11179	10.2
159.11653	3.4
161.09598	14.7
161.13245	3.2
163.06007	2.6
163.11166	1.4
163.14787	1.7
171.08084	3.7
173.13234	3.3
175.14815	1.4
177.16347	1.4
179.10664	10.6
187.14847	1.7
189.09085	8.3
191.10728	1.1
197.11607	2.0
201.16321	1.0
207.10149	3.5
225.11180	10.1
227.12682	1.8
233.22725	1.1
243.12320	2.6
243.21011	5.6
259.20477	1.0
261.22125	20.2
267.15900	1.5
279.23065	1.2
281.13803	4.6
299.14850	92.8
300.15201	1.9
315.23178	3.6
317.24661	2.7
335.25763	100.0
336.25977	2.5
435.53760	0.9
449.30371	2.0
467.31537	6.0
485.32565	4.4
513.36035	4.7
515.37225	2.6
523.33594	1.1
531.36707	4.1
541.35089	22.7
559.36249	68.0
560.36768	3.0
577.37079	3.9
671.40900	1.6
703.40009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.6
67.05492	10.3
69.03408	1.6
69.07056	5.8
70.04607	1.5
71.04980	1.8
71.08618	16.8
73.02895	0.9
74.82928	0.3
75.04475	0.3
79.05015	0.3
79.05475	5.8
81.03401	46.2
81.07037	14.3
81.07530	0.6
81.82565	0.3
82.03725	0.5
82.07391	0.3
83.04960	2.5
83.08601	16.3
85.02890	4.7
85.06540	0.7
85.10165	11.0
87.04436	0.4
89.05566	0.3
89.05987	1.4
91.03939	3.3
91.05463	8.4
91.06025	0.6
93.07022	4.9
95.04949	14.7
95.08585	13.0
96.08966	0.2
97.02873	3.3
97.06512	0.9
97.10155	4.6
99.08078	0.4
99.11718	0.4
103.07558	1.1
104.09483	0.3
105.07017	6.8
107.04945	3.1
107.08569	2.6
109.02859	0.4
109.06503	1.9
109.10132	7.0
111.04452	1.2
111.08058	4.5
111.11687	0.8
113.13269	0.4
115.05427	0.5
117.06995	1.0
119.04890	0.4
119.08562	7.1
121.02897	0.3
121.06499	1.6
121.10110	3.9
121.92815	0.3
123.04396	1.4
123.08060	1.2
123.11687	3.3
125.09627	0.8
125.13253	0.6
127.03923	1.6
128.06203	0.3
129.06982	4.9
131.08540	4.7
133.06445	2.2
133.10109	3.0
135.08057	0.5
135.11662	1.0
137.05930	0.3
137.09608	0.9
137.13220	1.1
142.07733	1.3
145.04926	1.8
145.10112	1.5
147.04393	0.7
147.08026	2.0
147.11644	5.0
149.09593	3.0
151.14810	0.5
157.10095	6.6
158.10437	0.4
163.05994	2.7
163.11165	1.2
165.12767	1.2
170.25737	0.3
171.11713	0.3
173.05922	0.3
173.09508	0.5
175.11154	6.0
179.14293	0.5
185.13348	0.4
189.12657	0.4
193.12207	24.2
205.12242	0.8
207.13902	0.4
211.13211	1.3
221.15395	0.6
221.22633	0.4
223.13300	0.3
235.13239	1.7
239.23613	1.5
249.14781	1.5
257.24792	1.9
259.13190	1.3
267.15857	100.0
268.16232	3.9
273.14819	0.6
275.20029	0.4
286.38437	0.3
295.18930	0.4
298.27322	0.4
301.14316	1.8
309.16980	3.3
313.27295	98.1
314.27701	4.5
319.15405	1.0
333.16949	0.6
335.25684	0.5
337.16220	0.4
375.18216	0.5
383.21844	0.3
393.19205	0.6
431.03964	0.3
431.35068	0.3
437.46048	0.4
505.38788	80.3
506.39185	5.3
523.39764	3.6
547.39813	6.9
548.39850	0.4
555.40045	1.7
565.40808	1.2
571.39288	0.4
589.40497	1.2
601.40936	2.5
609.45404	0.4
613.40540	1.6
631.42053	2.4
649.42798	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5714
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.0
66.74238	0.7
67.05501	13.4
69.03415	3.0
69.07053	7.7
71.04992	1.9
71.08618	14.5
71.79047	0.9
73.02916	2.1
79.05476	10.8
81.03407	30.0
81.07040	17.2
83.04962	8.4
83.08607	15.7
85.02890	20.5
85.06508	1.7
85.10165	8.2
87.04484	0.9
89.06055	0.8
91.03954	5.6
91.05465	13.3
93.07023	8.3
95.04960	13.0
95.08591	15.5
97.02869	5.7
97.06516	2.1
97.10159	6.0
99.08086	0.9
105.07008	9.4
107.04926	2.7
107.08568	3.2
109.06521	2.2
109.10136	5.7
111.04433	1.7
111.08046	5.2
119.08576	8.3
121.10133	4.9
123.08057	0.9
123.11702	2.7
125.09623	1.4
127.03898	1.7
129.07018	3.9
131.08553	5.6
133.06532	1.7
133.10124	5.0
145.04958	3.4
145.10164	1.2
147.07954	1.1
147.11646	7.4
149.09592	2.4
157.10126	8.0
163.06021	2.6
165.12804	1.7
175.11153	8.6
189.88783	0.8
193.12224	20.9
211.11191	1.2
211.13260	35.4
267.15866	14.9
285.16928	55.4
286.17328	0.9
341.30457	51.4
342.30933	1.5
351.36441	0.9
506.52808	0.8
533.41895	11.6
543.41754	1.0
551.42999	100.0
552.43073	3.3
643.84357	0.8
701.13312	0.9
776.38739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	3.8
67.10945	0.3
69.03412	4.1
69.07056	1.0
71.01349	0.7
71.04970	0.9
71.79650	0.6
73.02903	5.1
79.05479	3.0
81.03399	3.3
81.07050	3.5
83.04953	0.8
83.08605	0.7
85.02892	6.9
91.03944	4.5
91.05450	2.6
93.07033	3.4
95.04947	1.1
95.08578	2.4
97.02871	7.0
97.03452	0.5
99.04464	1.3
103.03959	0.5
105.07022	1.5
107.08577	1.3
109.02887	1.2
109.10143	1.1
115.03945	0.7
119.08577	1.5
121.10137	1.6
127.03913	2.1
131.08530	0.9
133.10176	0.6
135.11676	0.6
142.83997	0.4
147.11642	0.6
167.19958	0.4
185.04251	1.1
200.41859	0.5
203.05301	0.9
211.13313	0.5
243.08450	2.0
251.12599	0.8
335.25903	1.5
341.74469	0.4
347.09485	3.4
363.08932	0.6
365.10736	1.1
372.72006	0.4
405.13626	7.1
468.54614	0.3
469.20380	5.1
469.25845	0.5
519.29211	6.9
631.25720	3.0
654.41168	0.4
681.34399	6.9
747.43115	1.5
909.48010	100.0
910.48297	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	907.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03903	0.5
67.05493	6.6
69.03425	4.1
69.07063	2.1
69.88951	3.3
71.01340	0.6
71.04965	0.6
71.08229	0.4
73.02914	4.2
79.05483	4.6
81.03402	5.5
81.07041	7.9
83.01324	0.4
83.04971	1.9
83.08599	2.4
84.08881	0.5
85.02898	9.6
85.03387	0.9
87.04473	0.7
91.03940	6.0
91.05469	3.8
93.07029	5.1
95.04967	2.0
95.08594	5.7
96.08888	0.6
97.02881	7.7
97.06565	0.8
97.10173	1.1
98.21466	0.8
99.04460	0.9
101.02341	2.2
103.03922	0.8
105.07018	2.9
107.08585	2.3
108.08916	0.5
109.02857	1.0
109.06511	0.7
109.10131	2.9
111.08073	0.6
112.53219	0.4
115.03912	0.9
117.07045	0.6
119.08569	2.1
121.10165	1.7
123.08015	0.6
127.03865	2.6
129.07036	0.9
131.08568	1.4
133.10146	1.7
135.11713	1.5
137.09700	0.5
144.43376	0.4
145.10139	0.8
147.11684	1.4
157.10159	0.8
163.11197	1.3
164.11461	0.5
175.11244	0.5
185.04280	1.1
193.12308	1.7
203.05263	0.7
208.81416	0.4
211.13350	1.5
243.08437	2.7
267.16019	0.6
275.32129	0.5
285.16919	3.2
286.17087	0.6
335.25839	1.5
337.27432	3.2
338.27722	1.6
347.09436	2.1
360.11209	0.5
363.08759	0.7
365.10666	0.9
405.13657	5.0
467.18839	4.8
519.29346	5.0
529.38672	0.6
530.39136	0.7
543.69238	0.5
547.39856	3.7
548.40179	5.6
587.88617	0.5
629.23730	2.6
637.53473	0.5
681.34625	6.5
745.41309	1.8
907.46448	100.0
908.46521	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	906.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03888	1.4
67.05493	36.7
67.05827	1.2
68.86419	0.4
69.03417	3.8
69.07056	12.0
69.28955	0.4
69.64207	1.8
69.64642	2.2
71.04985	4.1
71.08582	1.2
73.02859	2.1
79.05479	19.3
81.03404	37.1
81.07040	38.0
82.07313	0.6
83.04967	10.0
83.08602	19.3
85.02888	22.4
85.06535	2.2
91.03944	6.5
91.05460	22.0
93.07026	18.8
95.04954	17.8
95.08586	25.6
96.08880	0.5
97.02304	0.5
97.02875	7.5
97.06516	4.1
97.09577	0.4
97.10149	6.1
99.04388	0.7
99.08028	1.7
101.02277	0.5
104.86893	0.5
105.04476	0.6
105.06318	0.8
105.07009	14.9
106.07333	0.5
107.04932	4.5
107.08578	9.8
109.06501	3.6
109.10133	14.6
111.04369	1.8
111.07394	0.5
111.08057	6.8
111.11666	0.5
113.05970	2.4
113.09632	0.5
115.03951	0.5
115.05403	0.9
117.06953	2.0
119.03236	0.4
119.07741	0.8
119.08558	15.4
121.06456	0.9
121.10123	9.9
123.08006	1.9
123.11683	4.4
125.09558	2.0
127.03912	2.4
127.07434	0.4
129.05482	0.8
129.06973	6.6
131.08536	7.1
133.06419	1.4
133.09158	0.6
133.10106	9.3
135.11667	3.5
137.09573	1.9
137.13176	1.4
142.07718	1.3
143.08507	0.5
145.04941	2.7
145.10066	1.7
147.08040	2.1
147.11652	12.5
149.09572	3.7
149.13190	1.1
151.11092	0.6
157.10095	10.3
161.13133	1.9
163.05939	2.6
163.11145	1.2
163.14752	0.8
164.17470	0.5
165.12720	2.7
173.11665	1.4
173.13052	0.6
175.11163	10.8
175.14735	0.8
187.14833	0.5
189.11295	0.7
193.12204	27.6
211.13251	45.4
212.13551	1.2
227.12721	0.7
229.14377	2.7
245.22520	0.9
246.40024	0.5
263.23581	2.2
267.15872	13.5
283.15320	0.8
285.16907	59.0
286.17188	0.9
335.25769	1.3
337.27295	46.1
338.27637	1.1
421.25485	0.5
439.26779	2.2
445.61337	0.5
489.35654	2.5
499.32492	3.1
515.37274	0.9
529.38788	11.5
547.39850	100.0
548.40265	5.6
565.40961	1.0
691.44244	1.4
709.45117	6.4
710.46100	0.5
906.51056	2.5
907.47711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.4
67.05493	72.6
69.03411	1.4
69.06719	1.0
69.07059	10.8
71.01345	0.7
71.04979	16.1
71.52956	1.1
73.02891	2.7
79.05014	0.9
79.05481	26.1
81.03408	4.2
81.07042	37.8
82.31982	0.7
83.04966	3.2
83.08144	1.0
83.08605	7.1
85.02893	9.5
85.06523	3.1
91.03947	6.0
91.05464	17.0
93.07030	35.1
95.04952	4.8
95.08594	27.8
97.02869	5.4
97.06511	3.1
97.10156	1.8
97.33054	0.6
99.04469	1.0
105.07011	9.7
107.04957	1.0
107.07884	1.3
107.08578	19.1
109.06487	2.2
109.10139	58.0
110.10481	0.7
111.08086	3.1
113.09575	0.7
117.07016	4.9
119.08559	13.6
121.06474	1.0
121.10130	15.1
123.11689	1.6
125.09603	1.6
127.03899	2.6
129.06989	1.6
131.08559	6.3
133.10109	6.8
135.08121	0.7
135.11667	15.9
137.09587	9.1
139.11157	0.9
145.04956	2.2
145.10106	7.3
147.11658	3.6
149.13251	2.8
151.11176	1.2
155.10658	1.7
157.10092	1.3
159.11703	3.4
161.13240	2.1
163.05984	2.2
163.11145	3.4
163.14835	0.9
165.12679	1.0
169.12230	1.2
171.11723	1.1
173.11742	8.5
173.13246	2.9
175.14902	1.1
181.12189	2.2
184.07338	1.3
185.13261	1.1
187.14822	1.7
193.12251	0.8
211.13181	1.3
213.14874	0.8
229.14368	1.7
243.15936	0.9
243.21173	0.8
255.15825	4.1
259.20578	1.3
261.22165	2.7
267.15814	0.7
285.17078	0.9
287.18488	13.8
317.24667	0.8
335.25754	22.5
336.26212	0.8
337.27609	1.2
363.25623	0.8
397.31155	1.1
423.32468	1.0
431.23145	0.9
456.14206	0.6
471.34616	2.8
489.35706	81.9
490.36035	2.4
497.36243	1.0
503.37445	1.9
515.37268	19.6
529.39148	0.8
533.38318	1.1
547.39862	100.0
548.40283	2.7
633.39539	1.2
659.41711	1.0
691.43707	2.2
780.38098	0.7
906.50024	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.6
66.04719	0.2
67.05491	34.5
68.05821	0.2
69.03418	4.4
69.07054	9.8
69.56886	2.3
71.01333	0.5
71.04984	3.6
71.08599	0.3
73.02900	3.0
74.09709	0.2
77.03913	0.5
79.05476	28.4
81.03401	43.7
81.07037	40.1
82.03738	0.4
82.07359	0.5
83.04962	10.9
83.08601	17.9
85.02887	26.5
85.06523	2.1
87.04453	0.5
91.03939	6.8
91.05006	0.4
91.05461	26.7
93.07023	31.0
94.07366	0.4
95.04314	0.3
95.04465	0.3
95.04945	20.0
95.08585	25.9
96.04447	0.4
96.05309	0.3
97.02870	8.8
97.06503	4.1
97.10143	3.7
98.20546	0.3
99.04440	1.2
99.08045	1.1
101.02385	0.2
105.04520	0.5
105.07011	21.0
107.04935	4.1
107.08573	15.5
107.09653	0.3
109.02854	0.6
109.06496	3.7
109.10138	10.6
110.10513	0.2
111.04419	1.6
111.08061	7.6
113.05971	2.1
113.09605	0.2
115.03912	0.4
115.05374	1.2
117.05500	0.2
117.06992	3.8
119.04954	0.3
119.08557	19.3
121.06493	1.5
121.10120	15.6
123.08040	2.2
123.11682	4.2
125.05972	0.4
125.09609	1.7
127.03893	2.8
127.07540	0.4
128.06212	0.4
129.05508	0.3
129.06975	7.7
131.08539	13.5
133.06458	1.9
133.10098	11.5
133.11118	0.5
134.10439	0.2
135.08046	0.5
135.11652	7.0
137.09602	1.6
137.13203	1.2
139.11156	0.5
141.06982	0.2
142.07739	1.9
143.08533	0.7
145.04906	3.0
145.06616	0.3
145.10097	5.3
147.08015	2.0
147.11653	14.1
149.09589	4.7
149.13202	2.9
151.11153	0.7
153.12688	0.5
155.08525	0.4
157.10097	10.6
158.10580	0.3
159.11699	3.0
161.13216	1.8
163.06001	3.4
163.11154	0.9
163.14827	1.6
165.12721	2.5
169.10149	0.3
171.08003	0.2
171.11682	0.9
173.09615	0.4
173.13234	2.5
174.86353	0.2
175.11154	11.5
175.14793	1.0
176.11449	0.3
177.16438	0.6
183.11662	0.7
185.13284	0.8
186.93512	0.2
187.14793	1.3
189.11200	0.8
189.16429	0.5
191.10594	0.4
193.12206	33.5
194.12575	0.7
197.13239	0.5
201.16408	0.6
211.13249	56.5
212.13637	1.0
227.12735	1.0
229.14291	0.5
233.22614	0.4
243.15652	0.3
243.21013	2.6
249.14735	0.4
259.20541	0.3
261.19217	0.4
261.22083	8.6
265.14301	0.3
267.15845	13.5
268.16229	0.3
269.17398	0.6
277.21744	0.3
279.23245	0.6
283.15402	0.7
283.20538	0.3
285.16904	69.1
286.17200	1.4
299.23544	0.4
301.25247	0.9
303.23203	0.3
317.24686	2.5
327.23322	0.3
333.24246	0.5
335.25742	59.1
336.26062	2.1
353.27002	0.3
359.25952	0.4
373.27353	0.3
417.31583	0.5
428.46332	0.3
435.27399	0.5
435.32602	2.5
453.33621	2.8
471.34756	1.2
509.35913	0.6
527.37238	13.3
528.37463	0.8
545.38287	100.0
546.38660	5.5
563.39166	1.0
639.42383	0.4
689.42743	0.6
896.52759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26540	0.2
65.03920	2.1
66.04734	0.3
67.05489	40.8
68.05817	0.5
69.03419	3.7
69.07053	10.5
69.62572	1.9
71.01326	0.3
71.04977	3.6
71.08611	0.5
73.02898	2.9
73.06529	0.2
75.32098	0.2
77.03922	0.8
79.05475	32.7
80.05804	0.3
81.03400	37.7
81.07036	42.6
82.03724	0.3
82.07351	0.6
83.04572	0.2
83.04961	9.2
83.08598	16.3
85.02886	23.5
85.06510	1.8
87.04453	0.3
91.03940	6.6
91.05460	27.8
92.05784	0.4
93.07023	34.7
94.07359	0.5
95.04947	18.0
95.08583	29.1
96.04460	0.3
96.08920	0.5
97.02867	7.4
97.06503	3.1
97.10143	3.7
97.62547	0.2
98.20718	0.4
99.04432	0.8
99.08080	1.2
105.04517	0.7
105.07005	19.7
106.07253	0.3
107.04930	3.9
107.08568	17.6
109.02876	0.4
109.06485	3.7
109.07162	0.3
109.10133	11.5
111.04429	1.7
111.08056	6.6
111.08793	0.4
112.08351	0.2
113.05973	1.9
113.09642	0.3
114.52544	0.2
115.03876	0.6
115.05399	1.1
116.06217	0.4
117.06991	4.1
119.04884	0.4
119.08554	17.8
120.08888	0.3
121.06484	1.3
121.10117	16.8
122.10481	0.3
123.04435	0.3
123.08033	2.4
123.10841	0.3
123.11680	3.7
125.05975	0.2
125.09600	1.5
127.03885	2.1
127.07545	0.3
128.06216	0.6
129.05531	0.3
129.06975	6.9
131.08539	13.7
133.06464	1.6
133.10101	11.6
135.08026	0.6
135.11655	7.5
137.09564	1.4
137.13237	0.8
139.11166	0.3
141.06996	0.3
142.07732	1.7
143.08510	1.0
144.06474	0.2
145.04929	2.2
145.10094	5.3
147.08006	2.4
147.11647	11.7
148.11978	0.3
149.09570	4.3
149.13232	3.9
151.11172	0.6
153.12737	0.3
155.08528	0.5
157.10091	9.9
159.07945	0.3
159.11658	3.6
161.13234	2.9
163.06007	2.5
163.11137	1.1
163.14780	1.6
165.12730	2.1
169.10118	0.4
171.11665	0.9
173.13211	2.8
175.11154	9.0
175.14749	1.2
177.12709	0.3
177.16367	0.5
179.14323	0.2
183.11674	0.5
185.13239	0.9
187.14781	1.3
189.11180	0.4
189.12764	0.2
189.16348	0.3
191.14320	0.4
193.12199	25.6
194.12535	0.6
195.11693	0.4
197.13235	0.5
199.14830	0.3
201.16325	0.6
211.13245	33.6
212.13571	0.8
215.17946	0.3
227.12746	0.8
229.14302	0.4
233.22491	0.3
243.21046	2.9
249.14838	0.8
259.20514	0.3
261.19202	0.4
261.22098	8.5
267.15857	10.6
279.23129	0.5
283.15396	0.4
285.16898	43.3
286.17191	1.5
299.23599	0.2
301.25211	0.5
317.24619	2.0
333.24173	0.5
335.25732	63.8
336.26083	2.3
341.24774	0.3
417.31232	0.3
435.27512	0.3
435.32581	1.7
453.33722	1.6
471.34537	0.8
473.33804	0.5
491.34326	0.3
509.36182	0.5
527.37201	14.7
528.37421	0.7
545.38269	100.0
546.38666	5.2
563.38977	0.5
689.42084	0.7
701.95276	0.2
917.21399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03893	1.6
67.05495	32.4
69.03418	2.3
69.07057	9.7
70.34621	0.4
71.04972	2.9
71.31966	0.9
73.02871	1.7
75.55402	0.4
79.05480	29.2
81.03414	2.7
81.07043	33.8
83.01303	0.9
83.04561	0.4
83.04964	3.5
83.08150	0.6
83.08600	7.5
85.02887	4.8
85.06493	1.4
85.10152	0.4
91.03907	1.9
91.05465	13.5
93.07029	38.2
95.04960	5.5
95.08591	40.6
97.02872	4.1
97.06511	3.6
97.10163	2.0
99.04450	2.7
99.08034	0.5
103.05421	0.7
105.04445	0.5
105.06335	0.6
105.07009	9.6
107.04925	5.1
107.08575	25.9
109.06487	2.1
109.10140	9.7
111.04376	1.2
111.08029	1.4
112.28264	0.4
113.05967	0.8
113.09584	0.6
114.09121	1.6
116.06223	0.5
117.06995	7.4
119.08565	11.3
121.05767	0.4
121.06487	3.7
121.10121	16.4
123.08026	1.6
123.11682	2.9
125.05930	1.9
125.09555	0.8
127.03874	1.0
127.78607	0.5
129.06937	1.0
130.07721	1.2
131.08546	5.2
133.06456	0.6
133.10114	6.1
133.91669	0.5
135.08087	2.1
135.11670	35.3
137.09531	0.8
137.13214	0.5
139.07463	1.0
143.08514	1.2
145.04913	1.2
145.10101	20.6
147.11650	2.6
149.09645	0.5
149.13219	3.7
153.12708	1.1
155.08522	0.7
159.11687	2.5
160.09654	2.6
161.13206	2.3
163.05965	1.3
163.11157	38.4
163.14767	1.6
173.09560	0.8
173.13162	2.3
175.14778	0.6
177.12741	0.6
177.16306	0.7
181.12209	6.6
187.14809	0.7
201.16405	0.6
209.11649	1.4
227.12744	38.6
228.12987	0.7
243.21146	2.4
261.22098	9.1
267.15881	0.7
275.20016	0.6
283.15363	58.5
284.15723	0.7
300.78506	0.5
317.24683	1.7
335.25751	93.1
336.26083	1.9
451.31775	0.6
469.33365	0.7
519.32269	0.5
525.35992	1.4
543.36731	100.0
544.36908	2.7
561.37775	1.6
756.06036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.509
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13723	0.5
65.03893	1.7
65.35291	0.3
67.05493	35.5
68.05833	0.4
69.03080	0.3
69.03417	3.0
69.07058	8.3
70.00914	2.4
71.01315	1.0
71.04983	3.6
71.08581	1.4
73.02903	3.6
74.01971	0.3
79.05479	31.6
80.05766	0.4
81.03405	9.8
81.07042	39.5
82.03663	0.4
82.07351	0.7
83.00922	0.6
83.01331	5.6
83.04507	0.6
83.04967	10.1
83.08599	11.1
85.02890	19.1
85.06504	1.5
85.10131	0.6
90.64512	0.4
91.03945	9.4
91.05465	18.8
93.07030	40.3
95.04959	7.8
95.08590	27.3
96.04472	0.6
97.02878	10.6
97.06518	5.1
97.10155	4.6
99.04451	2.6
99.08058	0.9
100.80214	0.4
103.05409	0.5
105.07015	13.6
107.04324	0.5
107.04938	6.3
107.08573	21.9
109.02834	0.9
109.05836	0.4
109.06503	5.9
109.09385	0.7
109.10133	12.1
111.04445	2.1
111.08041	2.6
111.11669	0.5
115.03882	0.6
115.05375	0.7
117.06993	8.7
119.08557	13.4
121.06477	2.4
121.10128	18.3
123.04399	0.9
123.08035	7.2
123.11679	4.0
125.05931	1.4
125.09605	3.5
127.03902	3.7
128.06209	0.4
129.06982	1.9
130.07712	1.4
131.07628	0.6
131.08543	10.1
133.06477	0.6
133.10109	7.7
135.08080	2.4
135.11673	16.7
137.09560	1.6
137.13210	0.8
139.07529	0.7
143.08504	1.3
145.04910	5.0
145.06363	0.7
145.10097	16.0
147.07974	1.5
147.11656	5.3
149.09578	0.9
149.13232	4.7
151.11093	0.9
153.12730	3.0
155.08487	1.5
157.10051	1.1
159.11659	5.2
161.13249	3.1
163.05995	5.3
163.11150	19.5
163.14807	2.5
171.11641	1.9
173.09584	2.6
173.13217	5.0
175.11134	0.5
175.14746	1.7
177.12764	0.5
177.16339	0.5
180.08560	0.5
181.12221	3.1
183.11664	0.6
185.13217	0.9
187.14717	1.7
189.11200	2.3
191.10609	3.1
193.12210	1.9
195.11623	0.7
199.14792	0.8
201.16341	1.0
209.11682	5.9
211.13097	1.9
219.17397	0.5
227.12726	10.2
234.43880	0.4
235.13283	0.9
241.19508	1.2
243.21039	4.7
245.13687	0.7
259.20557	1.6
261.22107	12.5
261.67325	0.4
267.15790	3.2
268.16193	0.4
277.21475	0.4
283.15356	100.0
284.15640	1.4
285.16876	1.5
288.49478	0.5
297.22025	0.4
299.23636	4.8
301.21445	0.6
313.27417	0.5
315.23129	0.7
317.24625	4.3
333.24207	2.4
335.25748	65.0
335.49542	0.4
336.26144	1.3
340.08911	0.4
355.26294	0.4
357.24112	0.5
371.26498	0.4
415.29626	0.7
423.32431	0.9
433.30942	2.9
451.31982	4.1
463.30521	0.9
469.33255	3.2
487.33987	1.6
515.37238	1.3
525.35718	7.6
543.36725	66.9
544.37073	2.4
558.84863	0.4
561.37817	5.6
655.41760	1.4
711.60175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03900	1.7
66.15894	0.4
67.05491	38.9
69.03410	3.3
69.07055	9.7
70.90112	1.2
71.01316	0.9
71.04978	2.7
71.08588	0.8
73.02895	4.4
77.03899	0.4
79.05477	35.2
81.03400	9.0
81.07038	45.0
81.54317	0.4
83.00922	0.5
83.01328	6.5
83.04504	0.5
83.04964	8.7
83.08602	13.2
85.02885	19.3
85.06519	2.2
87.04405	0.7
91.03940	11.3
91.05460	21.0
91.65477	0.4
93.07025	45.1
94.07301	0.5
95.04952	7.9
95.08587	32.9
96.04449	0.6
97.02869	9.1
97.06017	0.4
97.06506	4.5
97.10138	4.8
98.20768	0.6
99.04469	2.4
99.08032	0.6
103.05444	0.6
105.06341	0.9
105.07012	15.2
107.04940	7.2
107.08571	25.8
109.02821	0.9
109.06505	6.0
109.10136	13.1
111.04402	2.3
111.08050	2.2
111.11669	0.9
115.03889	0.5
117.06258	0.7
117.06999	10.0
119.08556	15.1
121.06485	3.0
121.10119	21.3
123.04382	0.5
123.08044	6.9
123.10988	0.4
123.11692	4.2
125.05908	1.2
125.09606	3.2
127.03906	4.1
128.06053	0.5
129.06989	2.3
130.07721	1.0
131.04866	0.5
131.08542	10.3
133.09148	0.6
133.10098	8.9
135.08070	2.3
135.11664	18.0
137.09569	1.8
137.13174	0.7
139.07489	0.7
139.11151	0.5
141.06937	0.5
141.35287	0.5
143.08514	1.6
144.06564	0.8
145.04951	5.5
145.06166	0.8
145.06395	0.7
145.10092	18.8
147.07994	1.8
147.11665	5.2
148.58105	0.4
149.09566	1.2
149.13245	5.0
151.11172	0.6
153.12733	2.3
155.08539	1.6
157.10075	1.4
159.11662	4.9
161.13229	4.1
163.05998	7.1
163.11147	18.1
163.14771	3.2
171.08009	0.5
171.11577	1.0
173.09607	1.9
173.13216	5.3
175.11191	0.5
175.14815	2.3
177.16315	0.9
180.08653	0.5
181.12248	2.8
183.11635	0.5
185.13234	1.0
187.14777	2.7
189.11169	2.8
191.10634	2.4
193.12218	1.5
197.13246	0.7
199.14862	1.0
201.16325	1.0
205.15852	0.5
209.11656	5.3
209.13271	0.6
210.59340	0.5
211.13179	1.4
215.17787	0.5
217.19376	0.5
223.14778	0.5
227.12724	9.7
240.07343	0.5
241.19463	1.0
243.21066	5.1
259.20471	2.3
261.22092	18.7
267.15860	1.7
273.22214	0.8
277.21722	1.0
279.23227	1.0
281.22430	0.5
283.15347	95.3
284.15619	1.4
285.16724	0.7
291.89328	0.5
292.60550	0.5
294.60867	0.5
297.22034	0.6
299.23587	4.3
314.28278	0.5
317.24765	6.1
333.24277	3.0
335.25739	91.8
336.26053	1.6
355.26251	0.7
373.27393	0.6
415.29926	0.6
423.32288	0.6
433.31018	2.7
451.32047	5.0
460.25342	0.5
469.33075	3.2
487.34161	1.5
506.77222	0.5
515.37366	1.4
525.35681	8.7
543.36713	100.0
544.36969	3.2
551.50873	0.4
561.37799	7.1
687.40771	0.5
746.68445	0.4
752.09180	0.5
826.45825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.1
67.05491	28.8
69.03411	1.2
69.07053	6.5
71.04970	1.6
71.08614	0.7
71.79181	0.7
73.02880	0.6
79.05478	30.0
80.05801	0.4
81.02972	0.5
81.03404	2.8
81.07039	27.9
81.22586	0.5
82.07381	0.6
83.04965	4.4
83.08601	3.2
84.43112	0.5
85.02882	2.9
85.06510	1.0
91.03934	1.7
91.05462	24.3
93.07024	35.6
94.07343	0.6
95.04948	8.1
95.08589	21.4
96.08881	0.5
97.02882	1.6
97.06496	2.5
97.10146	2.0
103.05470	0.5
105.04491	0.6
105.07008	16.9
106.07319	0.4
107.04920	2.3
107.08570	13.0
109.06510	2.4
109.10139	6.8
111.08022	0.6
115.05434	0.5
117.06987	4.3
119.08558	12.1
121.06525	1.2
121.10121	8.3
123.08047	2.2
123.11681	2.1
127.03884	0.5
129.06981	5.7
130.08694	0.5
131.08551	4.4
133.06468	0.5
133.10089	6.7
135.08046	0.5
135.11668	4.3
137.13327	0.6
143.08554	3.4
145.04979	0.5
145.10080	5.5
146.08086	1.8
146.09219	0.6
147.08028	0.5
147.11652	12.7
149.13234	1.7
151.11156	0.6
159.08029	0.4
159.11627	2.5
161.09607	1.1
161.13232	4.4
163.06021	0.9
163.14816	0.6
166.36235	0.4
169.10091	0.6
171.11649	7.2
171.13013	0.5
172.12094	0.5
173.13220	1.3
175.14795	0.9
176.09102	0.5
185.13278	0.5
187.14806	0.6
189.12682	2.2
207.13744	6.7
211.07306	0.4
238.58324	0.4
243.21170	0.7
259.20419	0.6
261.22165	3.5
267.15903	0.6
279.15933	1.1
281.17422	23.0
301.16559	0.5
302.16693	0.8
313.27344	0.7
314.27667	0.5
317.24557	0.6
335.25732	37.0
336.26047	1.7
428.25113	0.5
449.34387	0.7
467.34885	0.5
523.39124	0.8
541.38794	100.0
542.39209	6.8
559.39752	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	899.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	3.9
67.05493	42.8
69.03413	3.0
69.07061	10.3
69.58176	11.8
70.06592	1.3
71.04977	2.2
73.65694	1.3
79.05480	39.4
81.03406	11.1
81.07046	41.0
83.04964	4.2
83.08604	6.7
85.06532	1.9
91.05467	25.7
93.07031	33.5
95.04961	10.0
95.08591	25.1
97.06503	2.7
97.10159	4.6
105.07015	19.6
107.04940	1.9
107.08577	15.0
109.06505	3.6
109.10144	9.3
111.04410	3.1
111.08030	2.2
113.35522	1.4
115.05437	5.8
117.06995	5.9
119.08572	16.6
121.10131	15.8
123.04400	5.1
123.08004	1.9
123.11671	4.0
125.09632	1.4
128.06247	1.7
129.06969	5.6
131.04900	2.0
131.08556	11.5
133.06494	1.3
133.10153	10.0
135.04369	2.8
135.11658	8.3
137.02280	1.8
137.09584	1.9
139.03876	1.3
139.05368	2.0
141.06987	2.9
143.04892	1.4
143.08530	3.4
145.06477	3.4
145.10045	7.7
147.04341	3.3
147.11664	7.9
149.05934	2.6
149.09586	3.5
149.13235	4.0
153.07007	6.1
155.08556	1.7
157.06445	4.2
157.10106	2.8
159.04285	2.8
159.07993	1.3
159.11678	5.4
160.05095	2.0
161.02301	2.6
161.05949	14.7
161.13228	4.6
163.03865	11.2
163.11154	1.9
165.05470	3.5
165.06932	3.8
165.12604	1.5
167.08516	3.7
169.06461	4.1
171.04414	2.1
171.07991	1.6
173.02390	3.6
173.05957	79.1
173.13289	3.8
175.03860	3.1
175.07484	4.0
175.11047	1.8
175.14848	1.4
177.05382	1.6
179.08403	2.1
181.06439	9.9
181.09998	2.2
183.08005	2.9
185.04546	1.4
185.05983	8.8
185.09569	1.5
185.13264	1.7
187.03935	8.3
187.07484	15.0
187.14735	2.1
189.05470	6.6
193.06419	2.5
193.12282	2.1
195.08008	6.4
197.05965	10.0
198.06633	1.4
199.03850	5.4
199.07526	24.5
201.05432	37.9
201.09029	2.0
203.06950	2.5
207.08112	2.3
209.09669	2.4
210.06656	1.8
211.07524	15.5
211.13133	2.3
212.08028	1.5
213.05447	17.3
213.09041	10.5
215.03427	2.7
215.06903	7.2
217.04936	100.0
218.05252	3.2
221.05989	2.1
221.09637	1.7
223.07530	5.5
224.08217	2.3
225.05414	5.8
225.09077	5.6
227.07021	11.6
227.10657	1.6
228.07655	1.4
229.04912	10.5
229.08481	2.4
231.06462	5.0
235.07477	2.7
237.09036	2.7
239.06995	5.4
239.10579	3.3
241.04906	3.6
241.08575	4.8
241.12199	2.3
241.19569	2.6
243.06555	2.9
243.21095	2.7
247.11301	1.6
249.09142	2.0
249.12671	1.9
251.10715	2.1
253.08493	1.8
253.12231	1.5
255.13596	1.7
257.07922	1.9
257.15164	1.5
259.20563	5.9
261.22110	8.7
265.12244	3.8
267.13724	8.4
273.12610	2.5
275.10690	2.1
281.15295	2.7
283.13214	7.0
285.14807	4.1
291.13708	2.4
293.11703	2.7
309.14832	7.4
311.12799	24.2
311.16315	3.6
313.14352	12.5
319.13220	1.9
325.14423	1.9
327.15836	11.5
329.13791	60.8
330.14087	2.2
333.24112	3.3
335.25748	23.6
337.14255	11.5
339.15887	3.2
347.15033	1.7
353.13770	1.4
355.15338	29.9
357.16760	4.5
373.16315	9.1
383.18658	1.6
385.16388	72.2
386.16510	3.4
387.17847	2.6
401.19464	2.5
403.17307	6.4
411.17889	6.1
429.19043	54.6
430.19574	3.6
431.20496	3.0
433.23514	1.7
447.20050	4.3
501.20612	1.4
516.63849	1.5
529.20929	1.7
547.21191	1.4
597.35474	3.0
603.24268	2.1
615.36633	3.8
621.24548	3.3
633.37610	1.5
645.37689	8.0
661.40405	4.9
663.38647	16.1
671.39276	1.9
679.41681	3.3
689.29535	1.7
689.40369	20.8
690.40558	2.3
707.29926	2.3
707.41406	31.0
708.41479	1.9
742.03534	1.8
881.46356	4.4
899.46960	2.8
923.50378	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68896	1.6
65.03912	7.2
67.05493	100.0
68.97260	1.9
69.03422	10.3
69.07056	41.9
71.04983	16.6
71.08604	2.5
71.81349	2.0
73.02901	2.0
79.05015	2.3
79.05479	65.7
81.03413	17.9
81.07040	98.7
83.04956	15.0
83.08608	22.9
84.04455	3.4
85.02885	7.7
85.06516	6.4
87.25504	1.7
91.04898	4.1
91.05460	55.0
93.07027	76.7
94.07364	2.9
95.04958	20.4
95.08591	44.4
97.02866	4.3
97.06506	22.9
97.10146	11.5
99.04462	3.2
99.08095	3.5
105.07014	46.4
107.04948	10.5
107.08573	47.8
109.06494	10.4
109.10141	37.4
111.04381	2.1
111.08055	10.7
113.06012	1.9
115.05408	2.6
117.06998	23.0
119.08564	34.8
121.06499	7.4
121.10110	23.4
123.04346	2.1
123.08012	8.6
123.11678	5.8
125.09614	8.4
127.03909	2.1
129.05438	2.1
129.06998	11.7
131.08542	30.7
133.06485	3.7
133.10098	32.2
135.04295	1.9
135.08017	7.0
135.11682	21.7
137.09572	6.8
139.11182	2.2
141.06956	6.3
142.07703	3.2
143.08577	10.4
145.06470	1.9
145.10094	28.4
147.08052	5.6
147.11667	19.1
149.09604	17.0
149.13205	18.9
151.07558	1.9
151.11168	3.2
155.08513	7.1
157.10121	10.7
159.08087	3.1
159.11681	21.9
161.09589	2.9
161.13219	6.6
163.11156	10.0
167.08510	2.3
169.10100	8.2
171.11626	9.5
173.04453	4.0
173.09610	2.8
173.11708	6.6
173.13226	8.7
177.12700	6.0
181.10081	2.5
181.12257	2.5
183.11676	5.9
184.07327	4.2
185.13242	4.2
187.11172	4.0
187.14780	2.4
189.11240	4.6
193.12216	2.6
195.11783	3.5
195.13780	7.5
197.13283	3.7
199.14838	2.5
201.12666	2.4
211.14978	2.9
213.16412	2.4
227.12762	8.8
229.14265	20.5
229.19514	2.9
233.15302	2.2
234.48637	1.8
239.17888	3.2
247.20531	3.5
255.15880	6.2
257.18878	13.1
267.15897	4.5
269.17438	30.5
275.19980	41.3
276.20303	1.8
283.18887	3.0
289.21567	2.5
293.21005	3.4
331.22632	3.4
339.17972	2.5
349.23627	43.5
350.23651	2.3
357.28314	2.4
367.24539	2.2
381.26538	2.0
409.25699	7.5
413.21683	3.1
423.22211	3.0
423.27383	35.3
431.27823	4.3
433.31201	3.6
445.29492	10.6
447.30811	2.3
449.29010	21.0
451.31949	3.0
463.30481	33.3
464.30402	2.4
469.33054	3.9
503.33643	12.2
513.35223	2.5
515.37067	4.6
521.34723	3.2
525.35608	16.8
529.34912	7.2
543.36713	74.7
544.36938	4.9
557.38690	2.2
561.37811	17.4
567.31592	2.2
575.39270	10.3
589.33514	3.9
593.32898	4.1
605.40558	2.6
607.34766	17.0
623.43134	9.7
641.43927	5.6
687.40277	6.5
705.42017	2.9
889.47522	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	887.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	7.0
69.03409	0.7
69.07049	2.5
69.72717	0.5
70.86989	1.2
70.87349	1.8
70.95841	1.6
71.08611	4.4
71.92985	0.7
72.93768	5.1
79.05470	5.2
80.99939	0.5
81.03414	3.3
81.07034	5.0
83.08609	1.5
85.10153	2.3
88.96864	1.2
90.94819	3.1
91.05450	4.5
93.07027	4.7
95.04934	0.9
95.08590	5.6
105.07012	1.8
107.08571	2.2
108.95827	1.8
109.02876	4.6
109.10141	1.8
111.64836	0.7
113.96381	1.0
113.97626	0.8
119.08533	1.7
121.10088	1.1
123.11678	1.0
128.96347	0.8
130.97871	0.8
131.08495	1.0
133.10104	1.1
135.11642	1.2
144.95778	0.8
144.99431	1.5
145.10091	0.8
146.97351	1.8
149.00444	0.7
151.02065	0.6
151.97661	0.9
158.97211	0.8
162.96912	1.4
164.98598	0.9
164.99960	2.6
165.97067	0.9
170.91405	2.8
170.97444	0.8
178.97861	1.4
183.98155	1.1
186.92854	0.7
187.00468	0.9
188.92418	17.3
192.99399	1.0
193.92981	1.3
196.98688	0.7
199.00465	1.0
206.93484	1.2
208.92934	2.6
211.94016	2.3
212.92441	0.9
213.03645	1.8
215.05211	0.9
226.93968	14.2
227.05139	2.1
230.93500	2.7
237.05690	1.1
241.05003	0.9
244.94894	3.5
249.95563	2.7
253.95026	0.8
254.93311	0.8
255.06667	1.2
264.08002	1.3
265.08786	0.7
268.95029	1.9
278.09198	0.6
278.93512	1.8
279.08218	1.9
281.09784	5.8
282.09277	0.8
283.11349	3.2
285.12781	0.7
289.08737	0.9
296.94540	2.4
313.27298	11.0
314.95538	3.9
327.10513	0.8
329.11896	5.4
331.13400	11.0
332.96884	1.3
333.15030	100.0
334.15445	5.1
334.96063	2.2
335.25870	3.3
337.97052	1.1
352.97025	1.1
365.13882	3.0
370.98007	1.0
372.15930	1.4
374.17783	3.6
385.20306	1.0
389.17831	2.2
397.58112	0.7
407.18866	1.0
445.13080	0.6
465.17050	1.9
467.12665	0.8
469.14325	31.4
470.14352	1.7
487.15335	0.9
506.19507	1.0
507.17926	3.4
519.18018	1.0
521.19653	1.5
545.19135	1.1
547.17596	0.9
548.20270	1.1
549.19342	3.2
549.27008	0.6
557.15863	1.1
573.18744	3.4
573.48712	12.2
574.48975	1.7
609.21149	4.5
627.21722	1.0
631.18958	2.2
645.41687	9.2
725.37756	1.7
887.44220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.0
67.05493	14.3
69.03416	3.5
69.07059	3.7
70.06589	0.3
70.25330	0.6
70.25689	1.6
71.01360	0.5
71.04974	2.9
73.02908	0.9
75.02240	0.3
77.03920	0.3
78.60680	0.3
79.05479	16.0
81.03403	71.6
81.07041	16.4
81.07524	0.7
82.03748	0.6
83.04964	7.1
83.08601	17.4
85.02889	11.6
85.06535	1.0
91.03949	1.8
91.05463	20.3
93.07024	11.2
95.04952	23.0
95.08585	7.5
97.02868	4.7
97.06509	2.3
97.10149	5.3
99.04458	0.7
99.08103	0.7
103.03973	0.4
103.05453	0.4
103.30530	0.3
105.03380	0.9
105.07012	15.8
107.04939	6.2
107.08578	6.7
109.02867	0.8
109.06501	4.4
109.10117	4.3
111.04396	1.9
111.08062	7.9
113.05997	1.3
115.03853	0.3
115.05433	1.3
117.06999	2.9
119.04927	0.8
119.08564	14.3
120.09068	0.3
121.02884	0.4
121.06480	3.3
121.10126	6.8
123.04400	1.3
123.08052	3.3
123.11697	0.8
125.05999	0.6
125.09609	3.1
127.03886	1.2
128.06200	0.9
129.05507	0.4
129.06981	11.0
131.04897	1.3
131.08537	10.5
133.06467	3.8
133.10103	7.8
135.04500	0.5
135.08041	1.3
135.11664	1.2
137.05933	1.0
137.09584	1.9
141.07014	0.7
142.07776	2.2
143.08542	1.1
145.04993	0.9
145.06468	4.9
145.10117	2.7
147.04379	0.8
147.08031	4.6
147.11653	9.6
149.05969	0.4
149.09576	6.4
149.13155	0.4
151.07520	0.3
153.09081	0.5
155.08545	0.9
157.06517	0.6
157.10104	11.7
157.11375	0.7
159.08049	1.1
159.11607	0.8
161.05899	0.8
161.09566	0.8
161.13211	0.4
163.05998	0.7
163.11130	2.0
165.06802	0.3
165.12752	2.1
167.08510	0.5
169.06474	0.3
169.10135	0.5
171.08032	1.3
171.11685	1.0
173.09573	0.8
173.11742	0.6
175.11157	12.3
177.12654	0.5
179.08528	0.6
181.10101	0.7
183.11635	0.5
185.09685	0.7
185.13217	0.7
187.11128	0.9
189.11240	1.8
189.12766	0.7
191.10637	0.5
193.12212	31.4
194.12596	0.6
195.11522	0.8
197.09514	0.4
197.13176	0.5
199.11194	0.5
203.14287	0.7
205.12230	1.0
209.11623	0.5
211.11234	1.0
211.13232	12.0
213.12761	0.9
215.14272	0.6
223.13182	0.7
227.12711	1.3
227.14517	0.9
229.14268	1.6
231.13849	0.7
233.15320	1.5
235.13319	0.5
237.12798	0.8
243.13724	0.5
249.14850	2.0
255.13739	1.6
259.13174	0.4
267.15860	100.0
268.16190	2.0
273.14801	4.5
281.15387	0.4
283.15271	1.6
285.16919	10.9
286.17227	0.5
287.16141	0.4
299.16479	0.4
301.14151	0.5
309.16977	1.0
323.19064	0.4
339.23129	0.8
341.21002	1.9
343.66028	0.3
349.21573	2.8
357.24078	0.6
367.22632	5.8
375.18179	0.6
385.23663	9.7
403.24808	1.9
405.24142	0.8
415.24652	0.6
421.26019	0.4
433.25800	15.9
434.26337	0.4
437.25348	0.5
441.26227	6.9
459.27359	82.5
460.27640	3.4
477.28409	47.9
478.28473	1.7
491.29868	1.5
501.28314	1.8
509.31604	1.6
519.29395	2.3
543.29248	1.0
567.29120	0.8
573.30981	0.5
585.30591	2.3
603.31964	1.7
621.32764	0.9
899.51013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.6
67.05489	9.8
69.03403	1.7
69.07056	2.5
70.06565	0.6
71.01355	0.4
71.04963	1.4
71.79208	0.9
73.02880	0.8
79.05476	9.8
81.03400	23.9
81.06590	0.7
81.07037	10.2
83.00854	0.5
83.01314	2.5
83.04960	5.1
83.08147	0.7
83.08601	9.5
85.02888	4.6
86.83414	0.4
91.03920	1.7
91.05458	9.4
93.07023	9.6
95.01345	0.5
95.04945	9.2
95.05496	0.8
95.08587	3.7
97.02859	2.9
97.06525	2.3
97.10141	4.2
99.04423	1.1
103.03922	0.6
105.03367	0.9
105.07011	7.0
107.04945	5.4
107.08564	6.2
109.02846	1.2
109.06514	2.8
109.10128	2.7
111.04440	2.2
111.08085	2.6
113.05923	0.4
115.05429	0.5
117.06985	3.3
119.04926	0.9
119.08556	6.1
121.02866	2.3
121.06483	2.3
121.10130	3.2
123.04418	1.0
123.08025	2.9
125.05988	0.8
125.09608	4.2
127.03857	1.0
128.06169	0.5
129.06963	3.2
130.07759	0.7
131.04932	0.6
131.08536	4.6
133.06462	1.6
133.10088	3.0
135.04427	0.5
135.08026	1.6
135.11656	4.4
137.05884	0.5
137.09573	0.9
141.07050	0.5
142.07758	0.9
143.08533	1.7
145.02802	0.6
145.04927	1.0
145.06462	2.0
145.10103	5.7
147.04361	1.9
147.08040	2.5
147.11690	2.4
149.05910	0.8
149.09581	2.1
153.09019	0.5
153.12711	1.5
155.08530	1.6
157.10092	3.7
159.08028	0.7
159.11652	0.8
161.05994	2.7
161.09605	1.1
163.05991	1.5
163.11133	7.2
171.08060	1.1
171.11656	0.7
173.05956	1.0
173.09593	1.7
173.11812	0.7
173.13217	0.5
175.03986	0.5
175.11172	3.1
177.05411	1.0
181.12270	0.6
184.07387	0.5
185.09587	0.7
185.13307	0.6
189.09117	0.9
189.11205	1.4
189.12738	0.6
191.10623	1.1
193.12204	7.4
195.11687	0.8
197.09610	0.5
199.11127	0.9
205.12177	1.0
209.11705	1.7
211.11293	0.8
211.13190	0.9
213.12714	0.8
219.13754	0.4
225.12598	0.6
227.12744	1.5
229.12357	0.5
231.13762	1.3
235.07677	0.4
235.11079	0.6
243.13838	1.0
249.14882	0.6
257.11703	0.5
263.06955	0.7
267.15866	14.1
269.15305	1.0
271.05630	0.5
271.13309	1.4
273.14670	1.4
283.15372	11.1
285.16974	0.7
289.14304	2.4
291.06299	0.5
301.14252	0.6
303.15851	0.7
309.16830	0.4
313.18103	0.5
319.06094	1.1
337.06888	0.6
337.21710	1.1
347.05453	0.7
347.19904	0.5
355.22647	1.4
365.21155	2.7
383.22049	10.1
401.23190	5.0
419.24338	1.3
421.23846	0.6
431.24258	0.8
439.24869	1.2
445.20001	0.9
457.25778	18.0
459.18015	0.9
473.19440	2.2
475.26837	100.0
476.27386	2.4
477.18829	0.7
491.20279	0.8
493.27893	9.6
499.26462	0.6
501.18970	1.8
517.27618	2.0
519.20172	1.6
525.30206	0.5
541.28339	0.9
571.29126	0.9
583.28937	0.8
601.30035	1.6
619.30975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.6
67.05492	14.2
69.03419	2.7
69.07059	6.8
69.54266	0.5
69.54610	2.8
71.01331	0.3
71.04977	2.2
71.08618	14.0
72.08953	0.3
73.02911	2.3
73.06529	0.4
79.05012	0.3
79.05479	10.0
81.03401	33.2
81.07040	19.5
82.03703	0.2
83.04490	0.4
83.04965	6.7
83.08601	16.9
84.08921	0.2
85.02889	21.6
85.06525	1.3
85.10168	8.3
87.04460	0.6
89.06021	0.8
91.03944	5.9
91.05461	14.6
93.07027	7.2
93.07635	0.3
95.04950	13.8
95.08589	14.6
97.02877	6.3
97.06511	1.6
97.10151	4.6
99.04444	0.9
99.08084	0.8
99.11678	0.7
103.07562	1.0
105.07009	10.4
107.04929	3.4
107.08572	3.4
109.02892	0.3
109.06485	2.6
109.10137	6.1
111.04422	1.3
111.08057	6.1
111.11718	0.6
113.05969	1.5
113.13328	0.3
114.09140	1.0
115.03918	0.3
115.05457	0.5
117.06989	0.7
119.07709	0.6
119.08557	9.8
121.06481	0.9
121.10117	4.5
123.08057	0.9
123.11678	2.8
125.05962	0.4
125.09602	0.9
125.13242	0.4
127.03899	2.1
129.05504	0.4
129.06985	6.1
131.08537	6.2
133.06442	1.6
133.10104	6.8
135.11665	0.4
137.09601	0.8
137.13214	1.0
142.07761	1.2
144.06422	0.3
145.04953	2.3
145.10101	0.8
147.08032	1.6
147.11661	8.2
147.12852	0.5
149.09583	3.3
149.13206	0.3
151.11197	0.4
151.14775	0.4
157.10097	8.8
160.09677	2.8
163.05986	3.3
163.11189	0.7
165.12738	1.8
175.11168	9.1
193.12206	27.8
194.12540	0.6
211.13252	39.0
212.13589	0.7
229.14401	0.3
239.23743	1.5
249.14787	0.5
257.24689	1.0
267.15869	15.3
285.16910	59.6
286.17276	1.1
298.27493	0.3
313.27298	56.8
314.27698	1.5
345.36417	0.3
353.98126	0.3
384.93323	0.3
429.21173	0.4
505.38828	13.0
506.39273	0.4
523.39850	100.0
524.40277	4.0
667.43762	0.5
722.35205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.54
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15831	0.3
65.03898	0.5
67.05493	12.1
68.93868	0.3
69.03424	2.0
69.07055	6.6
69.50991	1.7
69.51414	1.5
71.04983	2.3
71.08620	15.1
73.02894	2.1
79.05481	7.6
81.03405	24.3
81.07043	16.7
83.04968	5.3
83.08604	13.1
84.15939	0.3
85.02890	16.2
85.06482	1.0
85.10170	8.1
87.04411	1.0
88.10152	0.3
89.05971	0.9
91.03427	0.4
91.03936	4.3
91.05470	11.5
93.06421	0.3
93.07022	6.9
95.04950	9.7
95.08588	14.9
96.04420	0.3
97.02296	0.4
97.02871	5.3
97.06521	1.6
97.10149	4.1
99.04386	0.5
99.08033	0.9
99.11656	0.4
103.07517	0.9
105.07014	8.4
106.07282	0.3
107.04946	2.6
107.08578	2.4
109.02848	0.5
109.06495	2.1
109.10136	5.8
111.04367	1.3
111.08059	4.6
111.11655	0.9
113.05939	1.2
115.05381	0.7
117.06934	0.9
119.04869	0.5
119.07730	0.4
119.08566	6.9
121.06435	0.5
121.10115	4.0
123.08023	1.1
123.11694	2.4
125.09589	0.7
126.05418	0.4
127.03915	1.8
128.06157	0.3
129.06975	4.9
131.08543	4.2
133.06429	1.2
133.10101	4.6
135.11623	0.5
137.09583	0.7
137.13228	0.9
142.07671	0.9
145.04929	1.8
145.10060	1.0
147.08070	1.7
147.11658	6.2
149.09602	2.6
157.10094	5.8
163.05971	1.6
163.11113	0.6
165.12691	1.1
175.11159	6.4
184.07404	0.4
193.12212	17.7
211.13258	19.6
212.13409	0.4
239.23610	1.2
249.14696	0.5
257.24637	1.4
267.13159	0.6
267.15881	10.4
285.16922	33.8
286.17264	0.5
313.27307	65.4
314.27588	2.1
381.49490	0.3
407.64633	0.3
505.38809	16.6
506.39319	0.6
523.39862	100.0
524.40222	4.3
592.57751	0.3
667.44196	0.6
867.34930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01863	1.0
67.05489	1.4
69.03416	2.7
69.07056	68.3
70.07385	0.7
71.04986	1.5
73.02919	0.8
73.06548	0.4
79.05464	0.5
81.03408	5.4
81.07014	0.5
83.08607	0.5
85.02892	4.0
85.06505	1.7
87.04453	0.6
87.08089	100.0
88.08398	0.9
93.07042	0.7
97.02872	4.1
97.06512	12.0
99.04437	9.7
101.02355	0.5
105.07052	0.7
105.09113	1.9
107.08599	0.6
107.46324	0.4
109.02860	12.9
109.06541	0.5
110.09679	0.4
110.42652	0.4
111.04423	3.6
115.07557	3.0
125.02347	1.5
127.03892	59.8
128.04256	0.6
128.10692	6.8
129.05469	0.5
133.08569	2.1
145.04950	6.7
149.09625	0.4
153.05450	0.4
163.06006	3.8
169.08569	7.1
173.15346	45.4
174.15652	0.7
174.23766	0.4
175.03656	0.3
177.09126	0.5
183.13760	0.6
187.09636	2.2
195.10115	5.8
201.14772	2.1
210.18506	0.8
211.13260	2.4
219.15910	1.7
223.09595	3.5
229.14308	48.4
230.14697	0.5
231.12242	1.8
241.10669	18.6
247.15375	2.1
259.11731	4.0
277.12762	2.4
283.15271	2.3
301.16443	1.0
309.16861	1.1
313.27396	0.4
337.12878	0.4
337.16171	2.1
343.21030	6.0
355.17462	20.8
361.21896	0.5
373.18542	9.3
374.18539	0.4
391.19562	6.5
412.47510	0.4
415.23270	1.9
451.23251	0.6
469.24274	25.3
470.24628	0.7
487.25287	3.2
488.26056	0.4
505.26425	6.2
536.94250	0.3
583.30469	0.4
601.31549	1.1
619.32751	1.1
830.96936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02892	0.7
62.87033	0.8
63.64313	0.7
65.03924	4.4
67.05492	36.5
69.03403	3.1
69.07053	10.7
70.80302	1.1
70.80653	2.6
71.04967	1.8
77.03902	1.0
79.05478	34.9
81.03401	4.8
81.07039	32.9
81.11890	0.7
83.04967	7.8
83.08595	5.4
83.53787	0.7
85.02897	1.0
85.06508	0.9
85.18054	0.6
89.03928	0.9
91.05465	25.6
93.03368	1.8
93.07027	31.8
95.04954	11.5
95.08586	24.3
97.02872	0.9
97.06490	2.2
97.10143	2.9
99.08009	0.8
103.05431	2.1
105.07011	17.3
107.04933	1.9
107.08579	15.9
109.02790	0.7
109.06477	2.6
109.10128	7.6
111.04420	5.2
111.08052	1.9
115.05443	4.4
117.06992	6.6
119.08556	12.2
121.02858	3.5
121.10122	11.8
123.04407	5.0
123.08042	1.7
123.11703	2.8
125.72077	1.0
128.06180	1.9
129.05484	1.4
129.06976	5.6
131.04898	1.6
131.08545	7.9
133.06470	2.1
133.10126	8.5
135.04382	1.2
135.11678	6.9
137.02295	0.8
137.09563	0.8
139.03877	1.9
139.05418	1.4
141.06961	3.5
143.04903	1.7
143.08554	2.4
145.02823	0.9
145.06447	3.3
145.10094	6.3
147.04385	1.8
147.11697	5.1
149.05949	3.2
149.09593	1.9
149.13205	2.6
153.06970	5.7
155.04929	1.5
155.08517	1.7
157.05147	1.0
157.06468	4.1
157.10072	2.7
159.04372	1.4
159.08069	0.9
159.11662	2.7
160.05133	0.8
161.02303	1.0
161.05949	13.6
161.07166	1.5
161.13216	2.4
163.03871	10.0
163.11136	1.7
163.14772	0.9
165.05447	2.5
165.06970	2.2
167.08524	2.7
169.06480	4.6
171.04326	0.8
171.08015	3.1
171.11591	0.8
173.05956	74.7
173.13210	2.7
174.06328	1.2
175.03882	3.5
175.07451	3.8
175.14767	1.3
177.05467	2.2
179.08560	1.7
181.06467	9.6
183.04390	1.6
183.07997	2.8
185.05937	9.4
185.13214	1.6
187.03922	4.8
187.07512	15.0
187.14717	1.7
189.05470	7.9
193.06464	1.7
193.10133	1.7
193.11996	1.6
195.08037	5.1
197.05965	9.9
197.09598	1.3
198.06760	2.3
199.03854	1.8
199.05690	1.4
199.07509	24.1
199.14783	0.9
200.08073	1.0
201.05423	34.0
201.09113	3.5
203.06923	2.6
207.07994	2.2
209.05942	2.6
209.09601	1.4
210.06714	1.9
211.07510	13.1
211.13223	1.6
212.08145	1.3
213.05443	17.0
213.09024	10.9
214.06210	1.3
215.03409	2.1
215.07014	7.7
215.10646	1.1
217.04919	100.0
218.05309	1.7
219.08044	1.8
221.05997	1.2
221.09561	1.2
223.07495	5.1
224.08276	1.5
225.05434	10.1
225.09006	4.1
226.06189	2.7
226.09659	0.8
227.06972	13.6
227.10635	2.0
229.04909	10.6
229.08575	1.9
230.05411	1.2
231.06435	2.8
235.07486	1.8
236.08368	1.6
237.09044	3.2
237.12602	0.9
239.06990	5.3
239.10638	2.7
240.07930	0.8
241.04893	3.1
241.08563	2.5
241.12195	1.9
241.19547	1.1
243.06433	3.3
243.20941	1.7
249.09113	3.0
249.12679	2.0
250.09758	1.0
251.07002	1.2
251.10507	1.9
253.08548	2.8
253.12418	1.2
254.09422	0.8
255.13776	1.7
257.15454	1.1
259.20496	3.5
261.22092	8.0
263.10629	1.4
265.12134	4.5
267.10825	1.4
267.13766	7.1
273.07355	0.9
273.12546	1.5
275.10617	1.7
279.13824	0.9
281.15228	2.7
283.13251	4.7
283.16202	0.9
285.14880	4.0
291.13663	3.9
293.11591	2.3
293.15024	0.7
295.13281	2.2
299.16296	1.7
301.12076	2.2
309.14835	5.8
311.12775	23.7
311.16241	2.5
313.14310	10.6
319.13251	4.3
327.15875	9.8
329.13782	64.8
329.85736	0.9
330.14059	1.7
333.24207	2.3
335.25754	23.2
337.10495	1.6
337.14267	16.7
339.15802	2.3
343.15469	0.9
345.16718	1.4
347.14926	4.2
355.15341	36.8
357.16895	2.3
363.25113	1.2
373.16449	12.7
383.18268	1.0
385.16394	49.9
386.16660	1.1
387.18201	0.9
401.19629	1.5
403.17456	6.0
411.18054	7.3
417.26251	1.1
421.16492	1.0
429.19040	20.1
435.26898	1.3
439.17322	1.2
447.19943	1.8
485.17874	3.5
487.19171	1.0
489.62213	0.9
503.18808	2.1
511.19556	1.2
513.21582	1.0
529.20477	3.5
541.20074	1.2
559.21503	2.2
560.24371	1.0
569.36224	1.1
571.33966	2.0
585.23407	2.0
597.35614	1.7
603.24432	6.0
605.25879	1.3
615.36584	1.1
625.40576	1.0
643.39899	0.9
645.37579	6.2
661.40472	4.3
663.38745	12.7
671.39368	3.9
689.40344	25.8
707.41364	5.8
819.42322	2.1
837.43048	1.6
845.43701	1.0
863.45673	3.6
881.46582	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	881.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.4
67.05495	40.6
69.03424	2.2
69.07060	10.8
71.04974	2.5
71.41714	0.9
71.42054	1.4
78.57011	0.8
79.05481	36.4
81.03410	5.3
81.07044	32.8
83.04966	7.9
83.08611	6.8
85.02851	1.0
89.03913	1.1
91.05466	28.0
93.03415	1.9
93.07030	35.9
95.04955	14.8
95.07989	1.1
95.08592	22.9
97.02871	1.0
97.06529	2.7
97.10139	2.6
103.05413	1.6
105.04506	1.6
105.07016	16.3
107.04959	1.9
107.07890	1.0
107.08583	14.8
109.06516	1.9
109.10149	7.6
111.04431	6.4
111.08101	1.0
113.05993	2.5
115.05462	3.4
117.06992	5.6
119.04952	0.9
119.08557	11.6
121.02824	5.7
121.06527	1.1
121.09334	1.3
121.10135	13.0
123.04432	2.7
123.08081	2.7
123.11713	1.9
125.09653	1.4
128.06198	2.1
129.06976	4.9
131.04939	1.1
131.08554	7.8
133.06468	2.5
133.10127	8.0
135.04405	3.0
135.08044	1.0
135.11699	6.4
137.09592	1.2
137.13257	0.8
139.03880	3.6
139.05437	1.9
141.06984	3.7
142.07742	0.9
143.04938	1.2
143.08595	2.7
145.06409	2.1
145.10101	7.1
147.04373	2.3
147.11638	5.4
149.05974	2.0
149.13231	4.5
152.06161	0.9
153.06952	5.3
155.04919	1.8
155.06052	1.0
155.08549	2.5
156.16936	0.8
157.05043	1.1
157.06480	3.8
157.10120	2.7
159.04457	1.0
159.08026	1.2
159.11674	3.0
161.05949	14.9
161.13251	4.0
163.03882	10.4
163.11159	1.5
163.14812	1.3
165.05457	3.1
165.06981	1.9
165.12782	0.8
165.41643	0.7
167.04927	1.3
167.08521	3.2
169.06473	4.0
171.04410	1.3
171.08078	2.0
171.11620	1.1
173.05962	90.7
173.13283	3.4
174.06389	1.0
175.03915	3.0
175.07529	3.8
175.11179	1.2
177.05457	3.1
177.16379	0.8
179.08565	1.9
181.06459	10.3
181.10135	0.8
183.08046	3.2
185.05991	7.6
185.09619	1.1
185.13249	1.3
186.06607	0.9
187.03847	5.0
187.07507	17.9
187.14874	0.9
189.05460	7.1
193.06465	2.3
193.10185	1.2
193.12238	2.6
194.07248	0.9
195.06430	1.0
195.08093	3.8
197.05977	10.4
197.09619	1.7
198.06728	1.5
199.03877	2.8
199.05666	1.1
199.06119	0.7
199.07526	25.3
201.05435	38.2
201.09126	3.4
203.07021	2.1
205.04990	0.9
205.09988	1.0
207.08032	2.6
207.11795	1.0
209.05956	2.2
209.09547	1.8
210.06676	1.2
211.07498	12.5
211.13243	1.1
212.08168	1.6
213.05481	20.8
213.09088	11.5
214.05998	1.1
215.03535	1.2
215.07001	7.9
217.04927	100.0
218.05238	1.5
219.08105	0.9
221.09616	1.4
223.07541	4.5
224.08315	1.0
225.05453	8.7
225.08961	4.5
226.06282	1.1
227.07005	15.7
227.10687	3.3
229.04935	14.1
229.08536	1.8
231.06374	1.8
235.07481	2.3
237.09129	2.2
237.12698	1.0
239.07053	5.8
239.10750	1.9
241.04967	2.0
241.08586	3.2
241.12212	1.1
241.19446	1.8
243.06552	4.3
243.21123	2.3
247.11237	1.1
249.09122	2.3
249.12752	3.0
251.07065	1.2
251.10628	1.9
253.08600	2.2
253.12303	1.1
255.13797	2.2
257.08038	0.8
257.15225	0.9
259.20599	5.0
261.22104	8.5
263.14395	1.0
265.12238	5.4
267.13788	8.4
275.10544	1.6
277.12057	1.2
281.15335	4.9
283.13278	5.6
285.14981	4.6
287.23709	1.3
291.13861	4.4
293.11612	2.3
295.13306	2.0
299.16278	2.5
309.14737	7.4
311.12735	27.8
311.16223	2.2
313.14288	15.1
317.24796	1.0
319.13263	2.1
319.16623	0.9
325.14322	1.2
327.15875	9.6
329.13794	82.9
330.14151	2.8
331.15503	0.9
333.24048	3.3
335.25735	22.8
336.26193	1.7
337.14322	16.9
337.17996	1.6
339.16104	1.3
345.17169	1.0
347.14954	4.6
355.15332	39.6
357.17020	2.2
358.18323	0.9
359.18109	0.8
361.27356	1.2
363.25647	0.9
373.16434	13.6
383.18549	1.1
385.16391	59.3
386.16840	2.5
387.17966	2.2
401.19708	1.7
403.17456	10.6
411.18112	6.7
417.26450	1.7
421.16507	1.9
427.17239	1.0
429.19019	26.7
430.19229	0.8
435.27304	1.7
447.19983	1.9
467.16949	2.1
485.18094	4.8
487.18948	1.1
503.19305	1.0
527.83441	0.8
529.20599	2.6
541.20764	1.1
559.21661	2.8
571.33881	2.1
573.35553	0.9
585.22644	1.5
603.24091	3.9
605.25653	1.5
615.36365	1.3
645.37482	5.8
661.40710	3.0
663.38879	17.1
664.38922	1.3
671.39221	1.9
672.40118	0.9
689.40350	24.4
690.40277	1.9
707.41437	7.9
819.42773	2.7
837.43781	2.1
863.44739	3.6
864.44733	0.9
881.46490	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	880.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	6.6
65.03907	0.5
67.05490	10.1
69.03382	2.0
69.06680	0.5
69.07052	8.4
71.01324	0.6
71.04941	1.9
71.08616	17.5
71.79250	0.7
73.02908	2.8
77.03873	0.5
79.05473	9.2
81.03404	5.7
81.07038	16.2
83.01324	3.7
83.04965	4.2
83.08098	0.6
83.08597	12.4
85.02891	12.2
85.06523	0.8
85.10169	9.7
89.05992	1.1
91.03432	0.6
91.03937	6.8
91.05457	4.4
93.07027	12.5
95.04952	3.3
95.08585	19.9
96.43649	0.4
97.02873	6.8
97.06514	2.8
97.10155	4.4
99.04392	1.8
99.11700	0.7
103.07543	1.1
105.07021	3.6
107.04940	4.7
107.08580	7.5
109.02798	0.6
109.06524	3.0
109.10133	6.3
111.04367	1.6
111.08051	0.9
111.11679	0.9
117.06992	3.9
118.58554	0.4
119.08580	4.6
121.06493	2.2
121.10119	6.0
123.08031	4.0
123.11683	3.1
125.05943	1.7
125.09588	0.5
127.03921	2.3
129.06952	1.0
130.07745	1.0
131.08478	1.6
133.10072	1.8
135.08012	0.8
135.11668	15.7
137.09590	0.6
137.13179	1.1
139.07501	0.9
145.04869	2.4
145.06425	0.7
145.10098	11.9
147.07982	0.9
153.12680	1.6
155.08469	1.0
163.05986	3.4
163.11148	24.4
173.09543	2.1
181.12207	3.8
191.10588	1.5
209.11725	3.0
227.12727	12.6
233.21080	0.4
239.23607	1.9
257.24612	2.1
283.15347	82.6
284.15665	2.0
313.27298	93.0
314.27606	3.3
446.22934	0.5
458.75934	0.5
521.38281	100.0
522.38550	4.9
538.01892	0.5
561.14703	0.5
655.05634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	7.0
61.25919	0.2
61.91385	0.1
63.94722	0.1
65.03889	0.3
67.05489	8.4
69.03411	1.8
69.07055	4.5
69.70490	0.1
70.35999	0.5
71.01310	0.7
71.04976	1.8
71.08617	12.6
73.02895	2.8
74.09660	0.2
75.04436	0.1
77.03889	0.2
79.05478	7.7
79.32738	0.1
80.05796	0.2
81.03400	5.6
81.07038	12.9
83.00841	0.3
83.01323	4.2
83.04964	4.8
83.08601	9.0
85.02886	11.3
85.06528	0.9
85.10164	7.0
87.04459	0.4
89.05985	1.0
91.03936	6.4
91.05455	5.2
93.07024	10.7
94.07334	0.2
95.04382	0.2
95.04950	3.0
95.08585	11.6
96.04449	0.4
97.02870	6.6
97.06508	2.0
97.09575	0.2
97.10146	2.9
99.03870	0.2
99.04444	2.0
99.08020	0.5
99.11676	0.5
101.02364	0.2
103.05444	0.3
103.07529	0.6
105.04436	0.2
105.06325	0.2
105.07008	3.9
107.04938	3.7
107.08573	5.5
107.09296	0.3
109.02811	0.4
109.05814	0.2
109.06494	3.5
109.10132	5.0
111.04431	1.2
111.08062	1.0
111.11684	0.8
113.05882	0.2
115.03876	0.6
115.05429	0.2
117.07001	3.8
119.08551	4.3
121.06478	1.3
121.10126	3.7
123.04385	0.2
123.08040	4.6
123.11681	1.7
125.05963	0.9
125.09587	0.5
125.13203	0.4
127.03897	2.8
129.05461	0.3
129.06953	0.8
130.07727	0.4
131.04842	0.2
131.08543	1.7
133.10124	0.8
135.08060	0.9
135.11668	6.7
137.09590	0.8
137.13155	0.5
139.07565	0.2
143.08507	0.5
144.06473	0.3
145.04936	3.2
145.06268	0.3
145.10097	8.5
146.10468	0.2
147.08031	1.0
147.11600	0.2
149.09523	0.5
151.11113	0.3
151.14722	0.2
153.12688	1.4
155.08495	0.8
163.05988	3.6
163.11150	12.7
164.11452	0.2
165.16289	0.2
173.09581	1.7
180.08710	0.3
181.12175	1.8
191.10652	1.7
209.09824	0.1
209.11653	3.4
209.13512	0.3
227.12753	1.9
239.23642	1.2
257.24713	1.3
283.15341	100.0
284.15714	1.8
298.27393	0.2
299.14761	0.2
302.24612	0.2
313.27295	68.5
314.27661	1.9
353.15829	0.3
521.38287	50.0
522.38623	1.8
624.00745	0.2
767.27594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	5.3
65.03922	1.2
67.05493	38.4
69.03411	1.2
69.07058	10.9
71.01334	1.6
71.04973	2.1
71.08601	1.0
71.39253	1.5
73.02871	1.3
76.70496	0.7
77.73569	0.6
79.05477	30.4
81.03403	2.5
81.07040	30.6
83.04971	6.1
83.08597	4.6
85.02885	6.6
85.06525	2.8
91.03932	3.7
91.05459	15.5
93.07029	41.4
95.04951	5.1
95.08591	21.7
95.22198	0.7
97.02313	0.6
97.02861	3.5
97.06514	7.0
97.10150	5.7
99.04396	0.8
99.08071	1.9
105.07007	8.9
107.04945	1.1
107.08571	25.3
109.06495	1.4
109.10140	9.7
111.08067	2.7
111.11684	0.7
113.09592	0.6
117.06994	3.5
118.96835	0.6
119.08568	6.9
121.10125	12.7
122.49155	0.6
123.08065	1.0
123.11694	1.9
127.03906	1.6
131.08542	4.9
133.10103	6.6
135.11667	28.6
137.09610	0.9
143.08522	0.9
145.04982	1.1
145.10101	7.6
147.11658	3.0
148.78847	0.7
149.13226	2.9
152.42204	0.8
153.01874	1.0
153.12729	3.3
159.11693	3.2
161.13234	1.9
163.05954	1.5
163.11121	3.4
163.14792	2.0
171.11624	1.3
173.13300	2.4
175.14767	0.9
181.12178	5.0
184.07343	1.5
187.14781	1.3
199.13263	0.9
201.16344	0.9
243.21080	2.4
253.14395	2.2
255.15875	47.0
256.16290	0.7
261.22086	7.6
262.14926	0.7
317.24841	2.0
333.24255	0.8
335.25754	38.0
336.26114	1.6
423.32458	2.2
441.33557	0.9
465.28696	0.7
497.35950	1.8
515.37238	100.0
516.37488	3.7
533.38739	4.2
545.38348	1.1
777.70856	0.9
874.43878	2.4
875.45099	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	870.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	2.6
65.03925	2.8
67.05491	49.5
68.09068	1.2
69.03404	7.0
69.07048	16.4
69.72052	1.2
71.01333	1.6
71.04966	5.5
71.08233	2.3
71.08616	41.6
71.81753	2.0
77.01982	1.1
79.05471	37.3
80.04990	1.9
81.03400	46.2
81.07039	56.9
82.03741	2.2
82.07358	1.8
83.04960	13.5
83.08598	21.2
85.02440	1.7
85.02892	18.3
85.06512	2.4
85.10167	23.3
91.05460	42.3
92.05775	1.5
93.07021	29.4
95.04947	39.7
95.08588	46.1
97.02855	4.5
97.06523	7.0
97.10163	8.4
99.08013	1.4
103.05463	1.7
105.07007	27.5
107.04947	13.3
107.08577	18.9
109.02855	12.0
109.06485	7.6
109.10160	10.5
111.04413	4.8
111.08076	7.5
113.05968	3.1
115.05416	1.9
117.06998	7.1
119.04874	2.1
119.08556	22.2
121.02818	1.5
121.06474	5.9
121.10110	14.4
123.04392	18.5
123.08008	5.0
123.11710	2.1
125.09589	6.7
127.03891	2.0
128.06209	1.7
129.06961	13.8
130.08620	3.7
131.08545	15.0
133.06480	5.8
133.10095	15.2
135.04393	4.7
135.08037	4.9
135.11673	6.5
135.52954	1.3
137.05986	2.6
137.09615	2.5
137.13208	4.1
141.13675	1.4
142.07765	1.5
143.08505	4.6
144.06528	5.8
145.06505	2.9
145.10098	10.2
147.04279	1.3
147.07965	6.7
147.11650	14.8
149.05981	1.7
149.09570	6.4
151.07513	1.9
153.09071	6.2
153.39716	1.3
155.08572	2.1
155.14265	29.7
157.10083	12.6
159.08025	2.0
159.11678	2.7
161.05956	3.0
161.09621	2.2
161.13206	2.0
163.03940	1.6
163.11211	7.6
164.04301	1.4
165.12723	2.8
171.11642	7.7
173.09636	2.1
175.11172	10.0
186.32608	1.5
189.12703	8.0
193.12204	26.6
195.07935	1.6
199.11160	5.3
207.13731	4.7
211.13255	42.4
216.02968	1.6
217.12149	9.9
229.17973	5.2
235.13242	100.0
237.18518	4.4
249.14909	1.7
253.14284	2.5
259.16788	1.9
267.15866	15.5
273.14664	2.8
283.15408	3.0
285.16888	34.5
291.15891	3.3
291.19284	3.1
309.16870	3.5
336.26163	2.0
343.26297	3.2
355.15128	2.1
361.27246	1.6
371.25766	10.5
373.27380	1.9
389.26828	14.3
391.22812	1.9
409.23691	3.1
421.29532	8.4
427.24481	2.6
429.19373	1.8
430.19250	2.7
439.30533	17.1
445.29904	3.1
447.30829	3.2
463.30499	75.6
483.27322	4.9
501.28336	19.8
519.29340	17.2
526.03137	1.6
545.38159	2.0
546.38385	3.1
637.40564	3.2
655.41962	36.9
656.42010	1.5
673.42957	53.2
674.43097	3.2
708.42157	3.2
751.96948	1.7
870.43378	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	869.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.1
62.43102	1.3
65.03933	4.3
67.05494	66.8
69.03418	19.4
69.07056	19.0
71.01357	1.5
71.04984	8.8
71.08624	2.6
73.02896	3.6
74.83975	1.2
79.05481	56.2
81.03407	74.8
81.07043	68.4
81.07529	3.0
83.04970	23.8
83.08611	21.8
85.02887	20.1
85.06501	2.4
86.09684	1.9
91.03941	3.1
91.05463	39.2
93.07029	59.1
95.04955	30.9
95.07984	2.6
95.08591	44.7
95.09184	2.9
97.02874	22.9
97.06516	7.3
97.10152	5.0
99.04460	4.5
99.08080	1.8
101.02374	1.7
105.03330	1.8
105.07015	35.2
107.04946	9.4
107.07887	2.4
107.08575	31.8
109.02865	11.9
109.06525	8.2
109.10139	18.5
111.04441	9.6
111.08069	10.1
113.05974	3.8
115.05445	3.5
117.06998	11.8
119.08562	28.1
121.06483	4.4
121.10125	28.2
123.04430	3.2
123.08057	5.5
123.11691	5.8
125.09611	1.9
127.03920	11.8
129.05484	5.6
129.06990	11.8
131.08543	21.5
133.06476	5.0
133.10120	17.0
135.08057	3.6
135.11693	11.4
137.09570	2.5
139.03825	1.4
140.99051	1.4
141.06969	2.2
142.07759	2.1
143.08533	4.0
145.04936	2.8
145.06482	2.0
145.10097	10.7
147.08002	3.7
147.11670	20.9
149.05956	2.8
149.09592	6.1
149.13229	4.6
151.11157	1.5
153.12660	1.5
155.08595	1.5
157.10114	14.6
159.04398	1.5
159.11670	6.5
161.05943	3.9
161.13243	4.5
163.03909	4.2
163.11191	4.3
163.14745	2.9
165.12749	5.6
169.10094	1.9
171.11670	4.2
173.02303	1.9
173.04449	3.6
173.05974	5.7
173.09592	1.9
173.13249	4.3
175.11163	10.3
175.14639	1.2
179.08501	1.4
181.06458	1.7
183.06491	1.8
183.11609	2.0
185.13216	2.8
187.14786	2.6
189.05409	2.4
189.12640	2.3
193.12193	33.6
195.08022	1.6
197.05913	1.5
197.13232	1.5
199.03868	2.1
199.07516	2.8
201.05391	2.7
211.07515	2.1
211.13255	40.2
213.05481	3.4
217.04900	12.1
221.09628	1.5
227.07196	1.6
227.12593	3.1
229.14401	3.5
243.21114	3.1
245.99113	1.6
256.26254	1.5
259.20566	2.3
261.22116	9.5
267.15894	15.5
271.20572	1.5
283.15463	2.0
285.16943	17.7
291.19547	2.3
301.14249	2.7
311.12708	3.4
317.24753	2.3
329.13760	5.5
335.02524	1.4
335.25766	71.8
341.01132	1.3
351.22894	1.7
355.14813	6.1
369.24261	3.8
373.16220	1.9
385.16364	7.1
387.25403	1.9
389.26697	3.9
405.26343	1.8
407.28351	1.7
411.19666	4.0
429.21115	14.4
443.27957	2.5
453.33411	2.8
461.29065	1.7
479.29730	1.9
499.20544	1.7
527.37158	13.2
545.38324	100.0
546.38318	4.2
569.37787	2.5
635.38739	1.5
653.40112	4.2
671.41583	18.8
689.42285	32.5
707.42297	6.8
869.44946	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	3.5
65.03908	3.5
67.05491	60.6
67.30110	1.3
69.03417	18.2
69.07055	17.0
70.06568	2.9
71.01324	1.4
71.04993	6.1
71.08601	1.5
71.78483	1.9
71.78933	1.7
73.02894	2.7
79.05005	2.3
79.05475	49.3
81.03400	75.4
81.07039	64.0
81.07426	0.8
81.07532	2.0
83.04961	17.3
83.08599	22.7
84.76508	1.4
85.02885	23.3
85.06498	3.0
85.10149	1.6
85.71013	1.4
86.09681	4.1
91.03941	1.7
91.04908	2.5
91.05461	47.0
93.03385	1.4
93.07025	50.2
95.04946	28.7
95.08588	38.0
97.02872	18.0
97.06509	6.2
97.10148	8.0
97.10701	1.4
99.04434	5.1
101.02319	1.8
102.09177	1.4
105.07008	35.9
107.04977	7.6
107.08569	28.3
109.02850	12.2
109.06501	6.0
109.10141	15.9
111.04433	9.9
111.08056	9.8
113.05977	1.6
115.05428	2.1
117.06995	8.7
117.51533	1.2
119.08553	25.6
121.06451	3.9
121.10123	24.0
123.04380	3.2
123.08032	4.2
123.11671	4.4
125.09580	2.8
127.03896	11.7
128.06194	1.8
129.05429	3.9
129.06989	11.9
129.39058	1.2
131.04889	1.8
131.08548	16.6
133.06451	3.5
133.10112	17.2
135.04361	1.6
135.08008	2.8
135.11656	11.1
137.05983	1.5
137.09590	1.9
143.08479	4.1
145.04887	2.4
145.06418	2.5
145.10075	10.6
147.08043	3.3
147.11661	19.4
149.09546	5.1
149.13228	4.7
153.06746	1.3
153.12645	1.4
155.08507	1.9
157.10103	11.8
159.04446	1.8
159.08026	2.2
159.11613	5.3
161.05907	1.9
161.13226	2.7
163.03860	2.9
163.11201	5.3
165.12714	3.7
167.08575	1.5
169.10007	2.1
171.11592	3.9
173.04480	3.3
173.05937	7.3
173.09615	1.4
173.13226	7.2
175.11151	11.4
175.14787	1.6
181.06448	1.6
181.12160	1.7
183.11635	2.2
184.07295	1.4
185.05968	1.5
185.13184	2.4
187.03860	1.6
187.14845	1.9
193.12209	36.2
197.13081	2.1
198.22063	1.7
199.03853	2.5
201.05441	3.3
211.07616	1.4
211.13255	42.2
213.05487	3.4
213.12694	1.4
217.04939	5.8
217.12053	1.2
227.12698	3.1
229.14331	3.6
243.20955	2.2
253.02129	1.6
256.26355	1.9
259.20541	1.8
261.22095	7.4
263.16037	1.4
267.15906	17.4
271.16367	1.3
285.16934	16.7
291.19482	2.8
303.41104	1.4
311.12711	3.4
313.14120	1.5
317.24814	1.7
327.15906	1.3
329.13898	3.4
333.24191	1.5
335.25787	59.3
343.26059	1.6
351.18481	1.6
351.22827	1.5
355.14835	2.8
355.18243	1.3
369.24173	3.5
373.16696	1.5
385.16385	4.7
387.25253	2.8
389.26605	4.3
393.19229	1.5
405.26096	2.1
411.19849	4.7
429.21268	16.6
435.32227	1.9
453.33405	2.6
520.20117	1.3
527.37146	14.8
545.38300	100.0
546.38635	3.1
555.05347	1.4
597.36682	1.4
635.39252	2.5
639.42480	2.8
653.40228	4.1
671.41382	17.3
672.41638	2.4
689.31146	2.4
689.42169	30.3
690.42230	1.5
707.41467	5.8
869.45074	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.6
67.01855	0.9
67.05486	1.1
68.99772	7.7
70.59831	0.4
71.01376	0.5
71.78198	0.7
77.03913	0.4
79.05480	1.1
81.03397	3.1
83.04954	0.8
85.02884	0.9
89.03907	1.8
91.05441	1.0
93.03392	1.0
95.04965	2.5
99.04432	0.7
103.05449	0.9
105.03379	0.9
107.04927	5.4
109.02852	3.3
111.00776	7.0
111.04419	7.5
115.05418	0.9
117.03336	1.4
119.04924	1.7
119.08550	0.5
121.02834	1.6
123.04401	58.4
127.03887	100.0
128.04202	1.1
129.07021	0.4
131.04916	2.8
135.04385	55.5
136.04695	1.2
137.02330	4.2
137.05962	1.1
139.03870	49.4
140.04247	0.5
141.06984	1.1
143.04909	1.3
145.02786	1.0
145.06470	0.8
147.04366	7.0
149.02316	6.6
149.05942	2.1
150.03047	0.5
151.03871	12.8
152.06082	0.4
153.01698	0.4
153.05460	0.4
153.06955	0.9
155.04895	1.5
156.01965	0.4
157.06491	1.1
159.04379	4.7
161.02263	0.5
161.05946	4.2
163.03868	54.4
164.04239	1.3
165.01863	0.5
165.05470	5.5
167.03371	6.0
169.04944	2.5
169.06470	1.4
171.04442	0.5
173.02351	0.6
173.05942	4.3
175.03883	3.7
175.07462	0.5
177.05428	6.2
179.03351	7.7
181.04959	0.9
181.06451	1.2
183.04378	1.4
185.05920	2.2
187.03833	7.9
187.07451	0.9
189.02028	0.4
189.05435	3.4
191.03333	9.6
191.04933	0.7
191.06911	0.5
193.04852	2.3
197.05954	3.9
197.07596	0.6
199.03810	0.5
199.07492	0.4
201.05428	9.5
203.03358	10.8
203.06894	1.9
205.04883	3.1
207.02821	0.8
207.06523	1.4
209.06029	0.6
211.07536	0.6
213.05379	2.1
215.03398	2.4
215.06964	3.3
217.04890	2.9
219.06488	1.2
223.02339	1.7
225.05388	2.0
227.03371	0.6
227.07076	0.4
229.04904	11.4
231.02948	0.8
231.06474	2.2
233.04396	4.9
235.02246	0.7
237.05370	1.6
241.04897	3.2
243.06453	5.0
244.03732	0.7
245.04399	49.3
246.04707	1.6
247.05966	46.1
248.06248	1.0
249.05435	0.5
251.05411	1.1
253.04878	2.5
254.05667	0.5
255.06465	2.8
257.04407	13.9
258.05087	1.7
259.05942	10.3
261.07474	2.4
263.05417	1.5
265.04898	1.6
267.06299	0.6
269.04364	3.9
270.05048	0.6
271.05939	24.5
272.06161	1.1
273.03973	0.7
273.07523	1.7
274.04590	2.2
275.05432	17.4
277.04861	0.6
279.06473	0.6
281.04343	2.8
283.05966	10.1
285.03806	1.4
285.07199	0.8
287.05453	20.1
288.05823	1.0
289.07004	31.4
290.07315	0.5
291.08582	21.7
295.05920	1.9
297.03833	1.5
297.07251	0.8
299.05472	5.9
301.06998	13.6
303.05161	0.8
303.08542	2.6
305.04242	0.5
307.05969	1.0
309.03763	1.9
311.05591	2.3
313.06952	2.0
319.05988	0.7
321.03839	0.5
321.07532	1.0
323.05478	2.4
329.06760	0.5
331.07919	1.5
333.09766	0.6
337.06802	0.9
339.04852	0.9
339.08636	0.6
341.06351	0.6
345.07559	0.7
349.06912	0.6
351.04922	2.6
361.06955	1.8
363.08578	0.9
365.06299	1.9
373.06830	0.6
377.06409	1.2
379.08099	3.2
383.07614	2.9
389.06433	1.6
391.07870	2.2
393.05942	3.1
395.07281	1.2
396.08286	0.8
397.09113	5.9
401.06442	0.5
405.05814	3.7
407.07513	18.1
408.07938	0.5
409.09100	25.7
410.09253	1.2
411.10687	3.6
415.08469	0.6
417.05621	1.0
419.07587	4.4
421.08963	4.3
425.08542	8.3
427.10144	17.3
428.10275	0.9
431.07263	0.6
433.09164	2.9
435.10544	1.3
437.08588	8.0
439.09988	1.9
449.08609	2.2
451.10117	3.9
453.11435	1.6
469.11194	0.6
517.11359	3.4
527.09863	2.8
529.11053	0.7
535.12610	2.0
541.10858	1.4
545.10706	5.4
557.10400	1.1
559.12225	1.4
561.13702	0.8
571.11768	1.1
577.13483	2.5
579.14832	9.6
589.13477	0.9
679.13751	1.1
697.15320	3.6
699.15961	0.8
715.15729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	8.8
65.03909	2.2
67.05490	39.8
69.03413	5.0
69.07055	10.8
69.65483	5.2
69.65903	1.4
71.04951	1.4
71.08595	1.0
71.91640	0.8
73.02888	2.9
77.39101	0.8
79.05476	26.6
81.03402	1.7
81.07040	36.6
83.04966	3.6
83.08601	23.2
85.02888	11.1
85.06495	1.7
87.04455	0.9
91.03941	8.2
91.05467	10.7
93.07025	29.2
94.07379	0.8
95.04949	3.5
95.08582	23.7
97.02873	6.6
97.06493	2.0
97.10149	51.5
98.20741	1.6
99.08064	0.7
99.59203	0.7
100.55746	0.8
101.09632	1.3
105.07017	8.9
107.08573	27.6
109.06477	1.0
109.10136	14.9
111.08064	2.3
111.46198	0.8
117.06996	4.3
118.30573	0.7
119.08540	6.0
121.02856	1.5
121.06509	0.8
121.09347	1.2
121.10127	13.6
123.11696	3.7
125.09608	52.8
126.09966	0.7
127.03896	2.9
131.08545	5.5
133.10083	6.6
135.08057	4.6
135.11670	8.1
137.13197	1.8
143.10646	2.2
145.04938	2.3
145.10097	5.9
147.11613	5.0
149.13214	5.4
153.09090	3.5
159.11664	4.4
161.13219	3.3
163.05960	3.5
163.14766	2.6
171.10127	2.7
173.05969	1.9
173.13193	3.2
177.16301	1.2
184.07344	1.3
187.14822	1.6
189.11194	39.5
201.05435	1.4
201.16264	1.2
217.04977	2.2
227.12743	65.2
233.22598	1.4
243.21130	5.8
245.13805	100.0
246.45831	0.8
253.21715	0.7
259.15793	1.0
261.22104	31.7
262.22339	1.1
279.23199	4.7
317.24738	3.5
329.13779	1.8
330.13947	0.9
335.25748	79.5
336.26086	3.0
338.14423	1.0
385.16284	1.1
386.16769	0.8
412.18741	1.1
431.31281	1.4
487.34143	9.4
495.97101	0.8
505.35168	77.3
506.35107	2.8
523.36255	8.6
593.84265	0.9
594.20801	0.7
663.94244	0.9
702.47028	0.9
704.89148	0.8
819.78241	0.9
847.33215	0.9
864.50067	1.5
877.20337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	5.1
67.05494	6.1
69.03418	3.9
69.07047	2.6
69.99200	2.0
71.01347	0.5
71.04977	2.1
73.02908	4.1
79.05470	3.7
81.03400	1.5
81.07042	5.7
82.56888	0.3
83.04955	0.5
83.08617	1.1
85.02886	5.4
87.04478	0.7
91.03943	3.5
91.05443	2.7
93.07027	3.9
95.04974	0.5
95.08586	4.7
96.31557	0.3
97.02880	5.6
97.06499	0.5
97.10171	1.0
99.04450	1.1
101.02343	1.8
103.03912	0.3
105.07021	2.4
107.08573	2.8
109.02880	0.8
109.10143	1.8
111.08103	0.5
115.03910	0.6
117.07026	0.8
119.08585	1.4
121.09367	0.4
121.10117	2.1
127.03907	1.5
131.08553	1.0
133.10149	1.3
135.11688	0.9
145.04974	0.6
145.10147	0.7
147.11719	0.8
149.13223	0.9
159.11745	0.8
173.13284	0.3
185.04170	0.6
203.05290	0.6
243.08357	2.7
335.25781	0.8
343.69928	0.4
365.22931	4.0
413.18121	0.5
421.25735	0.7
456.22415	0.4
485.23831	0.6
513.22943	0.5
519.29260	6.4
583.30658	5.2
838.23230	0.4
861.53186	100.0
862.53369	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	856.5761
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	2.0
65.03919	2.8
67.05493	89.1
69.03420	5.0
69.07056	21.2
70.18878	2.8
71.04982	10.4
71.08611	0.9
73.02897	1.3
79.03575	0.7
79.05479	54.1
80.25139	1.1
80.25666	0.6
81.03413	7.7
81.07041	80.2
83.04968	7.0
83.08602	13.8
85.02900	3.8
85.06528	4.2
91.03919	1.5
91.05462	36.7
93.07027	64.0
94.07369	0.9
95.04946	11.2
95.08589	46.7
97.02869	2.7
97.06516	11.2
97.10156	5.8
98.20824	1.1
99.04444	1.4
99.08070	2.6
104.82913	0.8
105.04520	1.3
105.07011	28.5
107.04952	4.5
107.08573	40.9
109.02884	1.5
109.06492	4.4
109.10136	36.0
111.04417	1.1
111.08083	4.5
111.08779	0.8
113.05899	0.8
113.09678	1.0
115.05447	1.6
116.06210	0.8
116.58776	0.8
117.06992	14.6
119.08558	21.7
120.90601	0.8
121.06517	3.7
121.10125	25.3
123.08056	2.9
123.11687	7.3
125.09618	4.4
127.03896	1.8
128.06168	1.2
129.05504	2.0
129.07002	2.9
130.07718	1.0
131.08549	19.1
133.10098	20.0
134.10561	0.7
135.08018	3.0
135.11671	17.3
137.09602	3.2
137.13257	1.8
139.11171	1.4
141.07042	0.9
143.08502	5.1
145.04965	0.8
145.06441	0.9
145.10094	15.0
147.08044	1.4
147.11665	10.2
149.09581	6.2
149.13242	11.5
151.11136	2.1
155.08543	2.3
155.10657	1.7
157.10110	4.6
158.07191	0.8
159.11653	12.8
161.09540	0.9
161.13206	5.8
163.11168	3.6
163.14819	3.1
165.12714	1.4
169.10107	2.1
171.11652	3.8
173.11716	6.0
173.13258	7.0
175.11096	1.4
175.14789	3.2
177.12717	4.0
179.14297	1.6
181.10109	1.1
183.11687	2.9
184.07452	0.7
185.13240	2.4
187.14827	3.8
189.11217	1.0
193.12094	0.9
195.13712	4.2
197.13173	1.5
199.14862	1.3
201.12672	0.9
201.16328	1.4
203.17883	0.9
213.16454	0.8
215.14336	0.7
217.15738	1.3
219.17331	0.7
227.12685	6.2
229.14307	28.7
233.15332	0.9
239.17848	2.7
241.19499	0.8
243.21085	3.2
251.16153	0.8
257.19028	4.7
259.20554	2.3
261.14798	0.8
261.22079	11.1
267.15948	1.6
269.17380	10.6
270.17429	0.7
275.20013	17.7
289.21442	1.2
293.17639	1.0
293.21024	2.0
299.23544	1.0
307.22568	1.6
309.20715	0.8
317.24692	2.0
320.58258	0.8
331.22772	1.8
333.24216	2.2
335.25742	78.9
336.26166	2.3
339.17966	3.1
349.23669	18.4
349.27786	1.6
363.25226	1.1
369.24075	1.0
381.26230	2.8
395.20709	0.9
405.26172	1.5
413.21750	8.7
437.34079	2.4
453.24655	0.8
471.34521	1.0
479.29773	1.3
483.50546	0.7
489.35703	22.7
507.36667	3.0
511.37601	2.3
529.38806	100.0
530.39026	4.0
569.41974	17.8
570.41748	0.8
591.43542	1.4
609.45062	35.0
610.45374	1.7
627.45898	3.9
637.40881	1.2
641.47693	14.1
673.43005	11.6
691.43610	2.4
713.46014	1.1
771.50281	1.2
803.52026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.3
65.03922	4.6
65.60964	1.4
67.05492	83.4
68.05829	2.3
69.03416	9.0
69.07055	39.1
69.23928	1.5
71.04970	9.5
71.08620	4.3
71.81532	1.7
71.81901	2.3
76.11457	1.5
79.05017	3.1
79.05480	71.5
81.03412	18.1
81.07041	100.0
82.07391	2.3
83.04964	18.0
83.08605	19.1
85.02892	6.6
85.06538	4.2
91.05466	65.9
92.05790	2.4
93.07026	72.7
95.04948	18.0
95.08588	47.0
96.05289	1.8
97.02900	7.3
97.06515	19.9
97.10147	8.9
99.04461	2.0
99.08092	3.7
103.05440	2.5
105.06313	2.9
105.07017	49.1
106.07320	2.2
107.04928	11.5
107.08572	46.3
109.02867	3.6
109.06502	10.7
109.10134	19.1
111.04422	2.5
111.08089	9.1
115.05460	2.9
117.06999	24.6
119.08561	38.3
121.06468	8.9
121.10134	25.4
123.04409	2.9
123.08060	7.4
123.11698	6.4
125.09588	7.8
127.03931	3.7
128.06204	3.3
129.05429	3.2
129.06978	13.4
130.07722	2.2
131.08549	31.8
133.06470	3.8
133.10107	34.4
135.08069	7.2
135.11671	23.4
137.09644	4.4
139.03934	1.6
141.06984	5.0
142.07797	4.0
143.08543	9.4
145.04897	1.5
145.06445	3.3
145.10112	23.2
147.08066	3.1
147.11676	19.2
149.02376	2.0
149.09605	20.4
149.13243	17.8
151.11157	4.1
153.01796	3.8
153.09100	2.6
155.08546	4.7
155.49103	1.5
156.85457	1.3
157.10094	9.7
159.08067	3.1
159.11676	21.8
161.09586	3.7
161.13251	6.6
163.11147	12.1
165.12743	2.8
167.08603	2.9
169.10126	4.7
171.11673	8.5
173.04475	3.9
173.13202	8.6
175.11079	2.5
175.14806	3.1
177.12750	6.9
179.14317	3.4
181.10126	1.7
181.12196	2.8
183.11694	6.7
184.07309	7.5
185.13242	2.5
187.11166	2.8
187.14841	2.7
189.11215	2.1
189.12759	1.9
191.10475	1.6
193.05072	1.6
193.10307	1.6
193.12291	4.2
195.11882	2.1
195.13815	7.7
197.13239	6.0
198.13959	1.7
199.14789	3.7
201.12701	3.0
211.13200	2.7
211.14948	2.0
213.16373	2.4
213.50826	1.6
215.17982	1.7
217.04953	3.9
218.05568	1.5
225.16434	2.0
227.12717	8.1
227.17854	1.9
229.14340	3.6
229.19481	3.0
233.18864	1.8
239.17973	2.8
247.20534	2.8
251.16203	1.9
255.15894	17.0
257.18930	12.2
259.20657	2.1
267.15863	6.3
269.17438	49.2
273.18512	1.6
275.20029	42.3
276.20477	2.1
285.16895	1.8
286.17282	2.1
291.19507	2.6
293.21216	3.4
329.13791	1.7
331.22650	2.2
349.23697	40.0
355.19046	1.6
365.23419	1.7
367.24814	7.8
373.27396	3.4
374.27524	4.0
386.16809	2.7
413.21426	2.8
423.27069	1.7
429.45685	1.6
431.27771	3.1
435.27173	4.4
447.31033	6.0
448.31131	4.7
449.28864	22.0
463.30597	29.1
485.32913	2.5
503.33267	3.7
525.35699	9.4
529.35394	7.4
543.36737	40.5
544.37097	4.7
547.35797	3.2
561.37665	7.0
623.42950	8.4
640.42871	3.6
641.43475	6.0
658.43573	6.4
677.32935	3.1
705.42981	2.3
857.46240	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	856.54
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46424	0.6
60.16842	0.6
61.02912	5.2
65.03934	4.3
66.04772	0.6
67.05492	100.0
68.05844	1.0
69.03424	3.8
69.07054	17.7
69.47143	6.7
71.01354	1.8
71.04974	4.9
71.08630	0.7
73.02908	2.9
79.05478	43.0
81.03413	8.9
81.07040	62.8
82.07380	0.9
83.01340	0.7
83.04967	7.0
83.08601	14.2
83.09057	1.2
85.02885	11.7
85.03377	0.9
85.06496	3.4
87.04458	3.2
91.03928	1.3
91.05463	25.7
91.06021	1.5
93.07024	46.6
94.07379	0.8
95.04941	7.2
95.05403	0.7
95.08589	43.7
97.02867	3.4
97.06504	4.6
97.10143	14.4
99.04433	0.8
99.08100	1.2
103.03939	1.2
105.04490	1.0
105.07008	16.7
107.04934	4.2
107.08574	27.7
109.06512	3.4
109.10136	63.6
110.10500	1.1
111.04409	1.6
111.08054	4.6
113.05984	0.7
117.06985	7.8
117.07657	0.7
119.08559	17.5
121.06505	1.5
121.09239	0.9
121.10116	18.8
121.10945	1.3
123.08067	2.9
123.11688	5.1
125.09609	13.9
125.10468	1.1
129.05490	2.2
129.07004	1.9
131.08556	10.6
133.10106	9.0
135.08080	1.5
135.11665	15.0
137.09634	2.8
137.13271	1.6
139.11150	1.6
143.08495	0.8
143.10646	2.5
145.10100	11.9
147.08069	1.1
147.11667	5.8
149.09644	1.5
149.13232	6.2
151.11157	1.4
153.12723	2.6
155.08496	0.7
155.10686	2.2
157.10043	1.2
159.11676	5.4
161.13220	5.3
163.11182	7.1
163.14787	4.2
165.12759	1.2
169.10080	0.8
171.11542	0.7
173.09595	1.3
173.11731	15.6
173.13248	5.6
175.14813	2.2
177.16298	0.9
179.14340	0.7
181.12202	2.4
185.13283	1.0
187.14760	3.3
189.11232	2.2
191.10693	1.9
193.12218	2.6
197.13232	1.2
199.13266	6.1
199.14874	1.0
209.11627	5.6
210.11996	0.7
211.13161	0.7
211.14909	0.8
217.14337	0.9
227.12746	7.3
229.06451	1.6
229.14297	47.6
230.14638	1.1
233.22687	0.9
243.21013	4.8
245.13811	0.9
257.13809	1.5
259.20523	0.9
261.19284	1.2
261.22101	18.4
262.22266	1.0
267.15799	4.6
283.15308	2.4
289.21518	1.0
295.61273	0.6
298.24774	0.8
299.23581	1.1
301.16400	16.4
302.16824	0.8
315.23087	1.1
317.24747	3.8
335.25748	96.1
336.26099	6.1
399.23706	14.2
400.23853	0.8
451.32272	0.8
459.34869	1.8
469.32565	0.8
477.35602	9.4
489.35687	22.1
490.35892	1.9
543.36578	1.7
561.37866	8.5
562.38025	0.9
579.38654	4.6
659.45105	27.2
660.45227	3.2
716.33636	0.7
855.63141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	1.3
62.60143	0.6
65.03921	3.2
67.05493	48.2
69.03416	11.1
69.07056	37.9
71.03298	0.7
71.03659	1.7
71.04424	0.7
71.04991	4.6
71.08602	0.7
73.02896	1.3
77.03921	1.0
79.05478	43.3
80.05819	0.8
81.03399	13.5
81.07041	55.0
83.04498	0.8
83.04964	9.5
83.08605	15.5
84.08123	0.9
85.02883	3.6
85.06512	2.4
91.05461	34.4
93.07029	42.2
95.04956	14.2
95.08587	24.6
97.02882	12.1
97.06509	11.8
97.10146	14.9
99.04430	1.2
99.08060	2.2
103.05443	2.0
105.03326	0.9
105.04530	0.7
105.07012	27.9
106.07376	0.8
107.04935	13.1
107.08573	27.2
108.08878	0.8
109.02850	1.5
109.06495	6.9
109.10139	15.7
111.04436	1.4
111.08070	4.3
113.06001	0.7
113.09603	1.0
115.05414	1.7
116.06197	0.9
117.06998	15.1
119.04921	1.5
119.08562	20.8
121.06488	6.0
121.10119	12.9
123.04402	1.7
123.08043	5.3
123.11690	2.9
125.05943	1.3
125.09607	12.5
126.96478	0.6
127.03910	2.4
128.06181	1.7
129.05475	1.0
129.07021	5.0
130.07692	1.6
131.04927	0.9
131.08539	15.0
133.06444	4.0
133.10109	18.6
134.07260	1.2
135.08043	6.2
135.11667	10.6
137.09567	3.0
139.11174	0.8
141.07004	1.4
142.07761	1.7
143.08525	6.5
145.04947	0.6
145.06435	2.3
145.10097	12.9
147.08005	6.5
147.11662	7.9
149.09586	7.5
149.13239	6.6
151.11180	3.3
153.01758	2.6
153.09073	1.6
153.12737	0.8
155.08531	1.7
157.10109	3.9
159.07938	1.2
159.11653	9.4
161.09576	3.9
161.13220	3.7
163.11139	7.0
163.14839	0.7
165.09077	1.3
167.08549	0.7
169.10117	2.6
169.12204	1.1
171.03979	0.6
171.10223	1.1
171.11649	3.6
173.04472	1.4
173.05893	1.4
173.09636	1.5
173.11859	0.8
173.13228	3.6
175.11134	3.3
177.12721	4.6
179.10651	0.8
179.14230	1.7
181.10150	0.9
181.12114	1.1
183.11679	1.7
184.07219	1.1
185.13252	2.1
187.11157	0.9
187.14799	0.7
189.11185	6.8
189.12668	1.3
191.14214	0.8
193.12166	1.5
195.12019	0.7
195.13795	4.5
197.13203	2.0
199.11064	0.7
201.12704	1.2
203.14391	0.8
205.12198	2.2
213.14737	1.1
215.14354	1.0
217.04886	1.0
223.13234	17.6
223.15271	1.1
227.12737	10.6
227.17989	0.8
229.19386	1.2
233.15366	1.2
235.99033	0.7
237.16493	0.8
239.17955	1.1
241.19748	0.8
245.13644	0.9
245.19006	0.8
247.20583	1.6
249.14795	3.0
251.16266	1.0
253.14339	5.3
255.15697	7.1
257.18973	6.3
261.18536	1.1
263.19885	0.8
267.15771	3.0
269.17422	19.4
273.18439	14.5
275.20026	19.2
276.20309	1.2
283.15182	0.7
285.17178	0.9
289.17923	0.8
291.19492	100.0
292.19833	3.0
293.20981	1.9
309.20316	1.5
313.17767	0.7
313.21466	1.4
329.13644	0.8
331.22638	2.1
340.05737	0.8
341.06201	0.8
341.17392	0.8
347.22128	3.7
349.23697	20.5
355.08038	1.4
365.23178	49.3
367.24680	2.5
374.27393	0.7
384.07697	1.5
413.21475	1.7
423.23547	1.5
425.24884	0.7
461.29010	1.7
519.32977	1.0
521.18079	0.9
527.33252	0.9
535.32831	1.4
537.20984	4.3
538.21545	7.4
541.35126	3.6
543.35931	1.0
545.34711	20.4
559.36200	61.5
560.36652	2.4
571.36133	0.7
575.35645	0.9
599.39154	1.5
611.42053	1.0
621.41248	3.2
625.36536	0.7
639.42505	27.3
640.42426	1.3
656.42120	1.7
657.43292	5.2
675.30908	1.1
703.39807	1.7
854.45172	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	854.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	1.6
65.03915	2.3
67.05492	51.8
69.03421	12.6
69.07055	37.5
70.24596	3.9
71.04988	4.6
71.08604	1.3
73.02883	1.4
79.05016	1.5
79.05477	44.3
81.03406	12.1
81.07041	57.7
82.07403	0.9
82.15997	0.7
83.04970	8.8
83.08601	14.8
85.02879	3.2
85.06510	3.7
86.09738	0.8
91.03944	0.9
91.04903	1.7
91.05464	34.2
93.07025	43.5
95.01316	1.3
95.04955	13.2
95.08589	26.0
96.08891	0.8
97.02878	12.4
97.06519	10.5
97.09557	1.0
97.10154	12.9
98.20692	1.3
99.04465	1.6
99.08057	1.7
103.05457	1.2
105.04555	0.8
105.06306	1.8
105.07014	31.1
106.44360	0.8
107.04948	11.3
107.08570	33.2
108.08900	0.8
109.02858	2.1
109.06499	6.5
109.10141	16.3
111.04436	1.9
111.08044	4.7
113.05988	1.7
113.09576	1.2
115.05400	1.9
117.06240	1.3
117.06995	14.2
119.04957	1.8
119.08559	23.0
121.06493	6.1
121.10117	11.6
123.04405	1.6
123.08039	6.0
123.11697	3.7
125.09605	9.3
127.03872	2.2
128.06248	1.2
129.05434	1.0
129.06985	5.5
130.07751	1.5
131.08540	15.9
131.09503	0.6
133.06483	3.8
133.09138	1.6
133.10106	20.9
134.07263	1.5
134.10406	1.7
135.07164	0.8
135.08031	5.8
135.11655	11.7
137.09601	3.2
139.11151	1.0
141.06990	1.5
142.07770	1.4
143.08543	6.7
145.06447	1.9
145.10101	12.8
147.08017	5.9
147.11642	7.9
149.09573	9.0
149.13231	9.8
151.11116	4.4
152.56679	0.8
153.01831	5.9
153.09038	1.4
153.12657	0.8
154.69595	0.8
155.08542	2.0
157.10124	5.9
159.07999	1.7
159.11650	11.8
160.44145	0.7
161.09583	5.0
161.13191	2.0
163.11134	5.8
165.09052	2.5
165.12714	1.4
169.10094	3.2
169.12198	1.4
171.10258	1.2
171.11655	4.2
173.09608	1.3
173.13185	3.8
175.11148	3.0
177.12733	4.3
179.10567	1.0
179.14293	1.7
181.12144	1.0
183.11615	1.6
184.07317	1.8
185.13206	2.2
187.11165	1.2
187.14810	0.9
189.11168	4.3
189.12718	1.4
191.10570	1.0
193.12302	1.1
195.11914	1.4
195.13782	5.0
197.13254	1.9
199.14729	1.5
205.12219	2.9
211.13336	1.3
223.13264	18.0
227.12737	8.4
229.19391	0.8
233.15326	0.9
239.17929	1.9
245.19073	1.3
247.20410	1.4
249.14812	2.3
251.16426	1.3
253.14272	8.0
255.15764	6.2
257.19046	4.5
259.20514	1.3
261.14771	1.1
263.20096	1.2
267.15887	3.1
269.17432	28.8
269.20337	1.4
270.17816	0.9
273.18414	18.9
275.20020	16.6
291.19489	100.0
292.19824	2.1
293.20984	1.3
309.20544	2.2
315.23279	0.9
315.53268	0.9
321.24146	0.8
331.22528	2.1
347.22128	4.6
349.23694	13.0
365.23187	46.4
366.23633	1.3
367.24789	3.8
413.21997	1.4
447.27173	1.5
449.29190	1.0
461.28693	2.0
467.31647	1.0
521.17914	2.0
527.33447	1.7
541.35022	4.7
545.34589	18.1
559.36212	74.4
560.36572	4.9
577.36786	1.0
621.41138	2.3
639.42657	14.3
640.42285	1.0
656.42480	1.7
657.43085	3.6
675.31433	3.7
703.39795	1.7
854.45337	5.6
855.43860	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	854.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	7.9
65.03929	1.4
65.92924	0.4
67.05489	23.2
69.03073	0.6
69.03415	6.0
69.07055	6.3
70.38394	1.1
70.38794	0.6
71.01353	0.8
71.04628	0.6
71.04974	4.3
73.02908	2.5
75.98613	0.4
77.03936	0.5
79.05477	25.7
81.03402	77.7
81.07037	27.0
81.07529	0.9
81.07745	0.5
82.03741	0.5
83.04964	16.0
83.08601	29.8
84.08918	0.4
85.02888	36.0
85.06514	2.0
87.04434	0.9
90.40566	0.4
91.03938	6.5
91.05463	32.4
92.05827	0.4
93.06410	0.6
93.07020	17.1
95.04947	31.0
95.08583	9.8
96.04445	0.5
96.05293	0.5
97.02872	8.4
97.06505	4.2
97.10139	4.6
99.04461	1.2
99.08077	1.4
101.06046	0.4
103.03912	0.6
103.05447	0.5
105.07008	22.7
106.07288	0.5
107.04942	8.1
107.08574	7.0
109.02842	0.7
109.06496	6.3
109.10136	3.0
111.04411	3.0
111.08057	12.5
113.06016	2.6
115.03915	0.8
115.05436	1.8
116.36632	0.5
117.06996	1.6
119.04903	0.6
119.08560	23.3
120.08964	0.4
121.06457	2.1
121.10120	10.5
123.08053	3.1
123.11676	2.3
125.05923	0.5
125.09595	2.5
127.03893	2.3
127.07523	0.8
128.06216	0.6
129.06976	13.8
131.08542	13.9
133.06473	3.5
133.10103	14.3
135.11668	1.0
137.09583	1.7
142.07744	3.1
143.08543	0.5
145.04948	2.1
145.06450	0.9
145.10086	1.8
145.68730	0.4
147.04424	0.5
147.08029	3.9
147.11650	19.2
149.09586	7.5
151.11186	0.7
155.08531	0.5
157.10097	19.3
161.09647	0.5
161.99989	0.4
163.05986	2.5
163.11134	1.7
165.12737	3.9
175.11148	19.8
176.11412	0.5
189.11252	0.6
193.12206	58.1
194.12512	1.0
201.18437	0.4
211.13251	80.3
212.13597	1.2
227.12732	0.6
229.14247	0.7
233.15266	0.5
249.14883	1.0
267.15866	48.4
268.16214	0.8
273.14868	0.7
285.16907	82.0
286.17313	1.8
349.21457	1.0
367.22775	2.8
385.23627	5.0
403.24802	1.6
411.19870	0.4
429.21225	0.6
433.25986	2.4
434.09018	0.4
441.26184	2.4
459.27344	37.4
460.27548	0.8
477.28394	38.9
478.28787	1.3
495.29440	100.0
496.29532	3.7
621.31848	0.8
639.33484	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33284	0.8
66.80047	0.8
67.05135	1.3
67.05493	23.3
69.03418	8.3
69.07058	23.3
69.36234	1.0
71.04988	0.9
73.13314	0.8
75.09370	0.9
79.05481	16.9
80.05811	1.1
81.03400	6.2
81.07040	17.4
83.04960	4.5
83.08598	7.9
85.02882	2.6
85.06532	1.6
91.04919	0.9
91.05466	16.2
93.07028	15.2
94.07347	0.9
95.01305	1.0
95.04957	8.2
95.08582	10.0
97.02871	9.0
97.06513	3.2
97.10158	10.8
100.06028	0.9
105.03338	0.8
105.07021	11.6
107.04924	8.5
107.08576	11.6
109.06466	3.0
109.10130	6.9
111.04389	1.1
111.08058	1.5
115.05373	1.0
117.06992	8.1
119.08562	9.4
121.06493	3.0
121.10129	5.0
123.08047	4.3
125.09606	7.7
129.06970	3.0
131.08539	9.5
133.06442	3.1
133.10097	6.1
135.07996	3.4
135.11644	2.3
137.09573	2.5
143.08540	2.3
145.06465	1.2
145.10118	5.3
147.08034	6.0
147.11655	3.2
149.09558	2.4
149.13280	1.8
153.09048	1.1
157.10092	2.1
159.08080	1.3
159.11708	2.5
161.09608	2.3
161.13098	1.0
162.10281	1.7
163.07399	0.9
163.11111	1.6
165.09113	1.8
169.10060	1.2
171.10109	1.0
171.11604	1.3
175.11148	3.2
177.12802	1.0
184.07376	1.2
185.13205	1.6
189.11198	3.8
193.12276	1.2
205.12157	1.8
211.13351	1.5
223.13245	14.4
227.12700	6.4
233.15080	0.9
245.18982	1.7
249.14734	3.1
255.17468	1.2
262.15555	1.0
267.15826	1.6
273.18463	15.2
275.19943	1.8
289.17621	1.1
291.19489	100.0
292.19720	2.8
309.20502	1.2
336.25717	1.1
347.22025	4.1
365.23145	55.8
366.23297	2.2
495.85965	1.1
543.36481	1.2
557.34271	2.1
575.35809	1.2
637.40765	4.3
655.41962	47.2
656.42023	3.3
725.81134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	5.6
67.05490	11.6
69.03409	2.2
69.07054	2.9
71.01316	0.7
71.04977	3.1
71.54513	0.6
73.02904	2.0
79.05477	14.1
81.03401	30.0
81.07037	15.5
83.01320	2.8
83.04964	10.7
83.08098	0.3
83.08601	12.8
85.02889	16.7
85.06493	1.2
87.74814	0.3
88.52141	0.3
91.03940	4.5
91.05463	16.0
93.03360	0.4
93.07024	14.8
95.04948	14.0
95.05569	0.6
95.07990	0.4
95.08583	6.6
97.02304	0.4
97.02871	5.0
97.06509	3.1
97.10144	2.4
99.04447	1.4
99.08070	0.7
105.03323	0.3
105.06327	0.5
105.07009	10.9
107.04940	6.6
107.08566	7.8
109.02846	0.9
109.06493	4.3
109.10120	2.2
111.04430	2.1
111.07406	0.4
111.08066	5.1
113.05965	1.1
115.03870	0.4
115.05418	0.6
117.06994	3.6
119.04819	0.5
119.08564	9.0
121.06480	1.9
121.10118	6.8
123.04398	0.4
123.07246	0.3
123.08057	4.7
123.11657	0.8
123.55885	0.3
125.05953	0.9
125.09636	1.9
127.03878	1.9
128.06133	0.3
129.06061	0.4
129.06963	5.3
130.07765	0.6
131.08548	5.5
133.06433	1.0
133.10100	5.2
135.04370	0.4
135.07996	1.2
135.11652	5.3
137.09583	1.5
139.11130	0.3
142.07729	1.0
143.08463	0.8
145.04912	2.0
145.06387	0.5
145.10091	7.4
147.08029	1.7
147.11650	6.2
149.09587	2.8
151.11218	0.3
153.12715	1.3
155.08536	1.0
157.10115	5.6
161.05812	0.3
163.05978	2.0
163.11150	11.9
164.11523	0.3
165.12718	1.4
173.09650	1.6
175.11154	6.7
177.05331	0.3
181.12178	1.7
189.11200	0.4
191.10609	1.3
193.12202	19.0
209.11699	2.1
211.13252	22.3
212.13654	0.4
223.47812	0.3
227.12740	2.4
249.14795	0.3
254.23256	0.3
262.51410	0.3
265.14273	0.7
267.15851	6.1
283.15350	38.1
284.15720	0.5
285.16898	22.1
383.22198	1.7
401.23193	0.7
457.25790	4.2
475.26840	18.1
476.27170	0.6
493.27878	100.0
494.27985	2.5
637.32098	1.1
817.15277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	1.6
61.02919	4.7
65.03906	0.4
67.05494	6.8
68.75486	0.2
69.03419	1.4
69.07054	1.6
71.01321	0.8
71.04982	2.2
71.47951	0.4
73.02914	1.5
79.05480	10.7
80.05771	0.2
81.03406	6.9
81.07043	9.4
83.01331	5.1
83.04966	7.4
83.08606	5.5
85.02376	0.4
85.02888	7.9
85.06509	0.5
91.03424	0.3
91.03941	3.9
91.05464	6.5
93.07027	13.5
94.04131	0.2
94.07330	0.2
95.04389	0.3
95.04952	4.4
95.08597	4.1
97.02873	4.6
97.06517	2.4
97.10139	1.1
99.04445	2.2
99.08071	0.2
103.05405	0.5
105.03336	0.3
105.06335	0.2
105.07018	5.4
107.04938	4.8
107.08572	7.1
109.02840	0.5
109.06499	5.0
109.10141	1.2
110.09679	0.2
111.04433	1.6
111.08076	1.1
111.11686	0.2
115.03886	0.4
115.05393	0.3
117.06995	4.7
119.08561	5.9
121.02837	0.4
121.06478	2.1
121.10125	5.0
123.04424	0.3
123.08050	5.9
125.05971	1.6
125.09584	0.8
127.03887	1.7
128.06226	0.3
129.05455	0.3
129.06961	1.0
130.07710	0.7
131.04854	0.3
131.08537	1.9
133.09183	0.2
133.10107	1.4
135.08061	1.5
135.11670	9.5
136.12007	0.3
137.09570	1.1
139.07576	0.4
139.11121	0.3
143.08510	0.4
145.04929	1.8
145.06479	1.0
145.10100	11.2
146.10484	0.2
147.04364	0.2
147.08023	1.6
147.11687	0.2
149.05911	0.3
149.09546	0.5
151.11124	0.2
153.12701	1.8
155.08524	0.9
163.03940	0.3
163.06021	2.2
163.11157	17.9
164.11504	0.5
166.08583	0.3
173.09598	2.6
180.08696	0.2
181.12227	2.8
191.10637	2.2
203.03418	0.2
209.11684	4.9
210.12036	0.2
212.06938	0.2
227.12791	2.3
265.14368	0.3
283.15356	100.0
284.15695	2.7
317.17432	0.3
318.17572	0.4
473.25250	0.9
491.26334	58.9
492.26740	2.3
509.26892	0.3
591.66077	0.2
635.30798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	2.9
61.02916	11.2
65.03946	1.7
67.05492	89.4
68.05832	1.1
69.03419	2.5
69.07053	7.1
71.01305	0.4
71.04980	3.9
71.21436	0.8
73.02895	3.5
79.05478	16.7
81.03407	2.1
81.07041	35.0
82.07402	0.6
83.04964	0.8
83.08599	8.4
83.09059	0.6
85.02888	12.6
85.06514	2.4
86.09709	0.6
87.04417	0.5
89.59438	0.3
91.03420	0.3
91.03941	8.6
91.05459	12.5
92.05795	0.4
93.07027	25.5
95.04948	2.1
95.08591	24.9
96.04485	0.6
96.08955	0.5
97.02290	0.7
97.02875	6.7
97.06515	1.6
97.10170	1.7
99.04458	1.1
99.08068	0.9
102.24335	0.4
103.65066	0.4
105.07013	6.7
107.08576	12.1
109.02896	0.6
109.06519	0.9
109.10136	76.2
110.10494	1.4
111.08056	3.3
113.09647	0.4
117.06989	2.8
119.08564	9.4
121.10129	11.2
123.08093	0.6
123.11685	3.5
125.00010	0.6
125.09606	1.5
127.03881	4.1
127.11163	0.7
129.06999	0.5
131.08540	6.1
131.09438	0.6
133.10104	5.2
135.08006	0.4
135.11667	7.9
135.12605	0.6
137.09622	3.5
137.13225	1.1
139.11142	0.8
145.04932	4.7
145.10094	4.9
147.11652	3.9
149.13237	5.1
151.11182	0.4
153.01776	0.5
153.09145	0.5
155.10652	4.2
157.10092	0.6
159.11629	3.2
161.13184	3.0
163.05994	4.6
163.11171	0.6
163.14767	2.6
165.01758	0.3
171.11649	0.5
173.11732	21.3
173.13219	3.3
175.14809	1.2
177.16382	1.1
179.14259	0.6
180.08627	0.5
181.12270	0.5
184.07338	1.6
187.14810	1.7
189.11156	0.8
198.81850	0.4
201.16357	0.6
213.14673	0.4
225.72307	0.4
227.12741	7.6
229.14310	100.0
230.14653	1.5
233.22728	0.6
243.21049	4.2
259.20618	0.4
261.22092	17.2
262.22333	0.5
263.23599	0.5
299.23654	0.6
303.04861	0.5
317.24780	3.3
327.05121	0.5
335.25751	62.8
336.26056	3.0
379.29785	1.2
397.30884	1.9
415.31979	1.7
433.33447	0.7
471.34616	2.5
489.35703	47.5
490.36014	1.7
495.16422	1.7
496.16553	2.0
507.36700	8.6
569.19897	0.8
570.20477	1.2
588.21307	1.0
647.27734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	3.1
61.02913	11.1
65.03924	2.9
67.05489	100.0
68.05824	0.5
69.03424	2.6
69.07052	8.1
71.04974	3.9
71.08609	0.8
73.02905	3.9
75.04485	0.4
79.05474	21.6
81.03387	1.1
81.07038	37.8
83.04970	1.5
83.08601	8.9
85.02885	16.1
85.06515	3.1
91.03934	9.3
91.05457	13.2
93.07022	30.3
95.04943	2.8
95.08586	30.1
96.04510	0.7
97.02872	7.2
97.06510	1.4
97.10152	2.5
99.04443	1.0
99.08084	1.1
103.03944	0.6
105.07015	7.5
107.08568	17.4
109.02860	0.5
109.06516	1.3
109.10130	82.4
110.10497	0.9
111.08050	3.8
113.09580	0.6
115.03922	0.7
117.06994	3.9
119.08554	12.1
121.10114	13.3
121.10950	0.9
123.08090	0.9
123.11671	4.7
125.09622	1.3
127.03896	3.3
129.05580	0.4
131.08527	6.9
133.10095	5.5
135.07983	0.5
135.11661	9.4
136.46042	0.4
137.09579	4.1
137.13217	1.7
139.11154	0.4
143.08513	0.5
145.04933	4.4
145.10089	5.2
147.11670	4.5
149.13228	5.8
155.10643	5.3
159.11649	4.4
161.13208	3.8
163.05977	4.5
163.11249	0.6
163.14815	2.8
173.11728	21.4
173.13217	3.8
174.12149	0.5
175.14793	1.5
177.12653	0.4
177.16389	1.2
179.14308	0.6
180.08633	0.8
180.39417	0.4
184.07295	0.6
187.14809	2.2
189.11215	1.2
199.14944	0.6
201.16388	1.0
227.12750	6.2
229.14299	98.2
230.14685	1.4
233.22633	0.7
243.21036	6.0
261.22089	23.3
262.22607	0.6
263.23819	0.5
299.23636	0.5
317.24698	4.0
333.23984	0.7
335.25726	81.8
336.26010	2.1
373.18472	0.7
377.26926	0.5
379.29822	1.1
380.30453	0.5
397.30865	1.9
409.91418	0.5
415.31949	1.4
433.33136	1.3
449.32584	0.6
471.34622	2.7
489.35666	87.9
490.35919	3.6
507.36765	8.7
595.41730	0.5
619.97723	0.5
633.39667	1.0
738.91626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	4.3
61.19173	0.4
64.51643	0.4
67.05491	6.1
69.03427	2.9
69.07056	2.2
71.04972	0.8
71.08611	0.4
71.39030	0.5
71.39366	0.8
72.87877	0.4
73.02901	3.5
79.05482	6.5
81.03403	2.6
81.07037	6.6
83.04984	0.9
83.08614	0.5
83.68864	0.4
85.02891	5.1
85.93112	0.4
86.09708	1.0
91.03945	2.7
91.05465	5.2
93.07032	6.1
95.04964	1.5
95.08592	3.5
97.02878	4.4
97.06517	0.8
99.04449	1.1
101.02371	1.9
105.07012	4.6
107.08572	3.8
109.02893	0.6
109.10146	1.1
117.07004	1.8
119.08557	3.0
121.10162	1.9
125.00023	0.8
127.03923	1.5
129.06982	0.9
131.08574	1.5
133.10103	2.9
135.04419	0.4
135.07996	0.4
135.11658	1.9
145.10121	0.7
147.11688	1.7
149.13297	0.8
151.11197	0.5
153.01884	0.5
159.11748	0.9
161.13252	0.7
163.11115	0.6
184.07343	2.4
185.04228	1.2
203.05383	0.4
243.08334	4.1
259.20523	0.6
301.08963	1.8
315.10690	1.2
317.20999	0.7
327.10455	0.6
333.20346	4.0
340.44946	0.4
341.12152	0.6
363.86612	0.4
371.17010	0.5
373.11179	0.6
389.22791	1.0
397.18326	0.5
429.17480	0.7
431.23920	0.5
439.19080	0.9
453.20963	1.2
465.20660	0.7
481.20331	0.5
535.28650	8.0
541.22327	0.5
551.28137	9.3
590.05756	0.4
623.30273	1.7
665.33942	0.7
683.44543	0.4
707.39233	0.7
845.50037	100.0
846.50525	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	845.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	5.6
62.42836	0.6
65.03928	0.7
67.05490	7.2
69.03409	3.4
69.07048	2.5
71.04981	1.3
73.02911	4.0
79.05473	6.2
81.02947	0.6
81.03371	2.9
81.07043	8.1
83.04967	0.9
83.08598	1.2
85.02900	6.3
85.06543	0.7
86.09689	2.8
87.04456	0.7
91.03951	2.8
91.05466	4.9
93.07024	7.2
95.04965	1.8
95.08588	4.8
97.02885	4.5
97.06483	1.0
99.04384	0.8
101.02369	2.4
103.03941	0.5
105.07001	5.5
107.04949	0.5
107.08546	3.5
108.12582	0.5
109.02807	0.9
109.06470	0.5
109.10146	1.3
116.23727	0.6
117.07038	1.5
118.94612	0.5
119.08542	3.4
121.10140	2.4
124.99985	2.7
125.09672	0.5
127.03939	1.7
129.07010	0.8
131.08569	2.2
133.10095	3.4
135.11700	1.6
137.09714	0.5
143.08615	0.7
145.10121	1.3
147.11682	1.5
149.13226	1.1
152.19624	0.5
157.10094	0.7
159.11713	1.1
175.11166	0.5
184.07295	8.4
185.04056	0.8
185.07779	1.2
203.05188	0.8
229.61786	0.7
239.14336	0.6
243.08391	5.0
259.20551	0.9
267.15866	0.6
300.49734	0.4
301.08963	1.5
315.10504	0.9
322.56808	0.7
325.68912	0.5
327.10648	0.6
333.20300	2.8
335.25922	1.5
373.23611	1.2
439.19611	1.5
453.20935	1.5
465.20953	1.2
467.55731	0.5
535.28644	8.7
536.29163	0.7
541.22668	0.8
545.38715	0.6
551.28247	6.2
553.62488	0.5
571.02191	0.5
623.30481	0.6
628.91663	0.8
747.43286	0.6
845.50024	100.0
846.50293	9.8
867.66980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04976	1.5
60.08149	5.6
65.03924	1.8
67.05490	58.2
69.03398	2.7
69.06670	0.9
69.07051	16.3
69.89311	1.3
69.89723	3.5
71.04971	2.7
71.07342	2.5
71.08603	0.7
77.03911	0.8
77.04748	0.6
79.05474	31.6
81.03387	2.7
81.07039	53.6
83.04976	3.3
83.08599	8.9
85.02892	1.4
85.06516	2.8
86.09688	32.6
91.04901	1.3
91.05460	21.2
93.07023	38.8
93.54329	0.6
95.04942	4.9
95.08585	33.6
97.02891	0.8
97.06501	5.5
97.10140	4.3
98.98444	3.9
99.08060	1.5
103.05488	1.2
104.10717	2.7
105.07010	19.4
107.04920	2.2
107.08574	23.4
107.09309	1.1
109.06501	4.2
109.09378	1.4
109.10133	27.9
111.08087	2.9
117.06997	8.4
119.08559	15.8
121.06469	1.9
121.09241	1.0
121.10112	17.9
123.08053	2.6
123.11691	5.2
124.99971	21.3
125.09601	4.4
127.03876	0.9
128.06229	0.8
129.06969	2.1
130.07747	0.7
131.08534	11.6
133.10094	13.5
135.08018	2.6
135.11655	9.2
137.09610	2.2
137.13219	1.1
143.08537	2.1
145.10114	9.3
147.11650	8.6
149.09595	4.3
149.13217	7.3
151.11133	1.6
155.10577	1.0
157.10124	2.2
159.11664	8.3
161.13228	3.8
163.11185	2.4
163.14761	2.2
169.10083	0.8
171.11731	1.9
173.11699	4.8
173.13226	3.9
175.11154	0.7
175.14801	1.8
177.12624	1.4
177.16319	0.9
183.11664	1.4
184.07306	100.0
185.13237	1.2
187.14780	1.4
189.11150	1.2
189.15958	0.7
195.13779	2.0
197.13173	0.8
201.16289	0.9
215.14246	0.7
227.12726	4.4
229.14294	17.8
239.17854	1.5
243.21083	3.1
247.20496	1.5
257.19012	1.8
259.20535	0.9
261.22134	7.5
267.15851	1.1
269.17383	14.4
275.20007	15.6
277.21518	1.3
293.21106	3.3
317.24817	1.1
331.22366	1.1
333.24243	0.9
335.25732	56.3
336.25922	0.8
349.23651	12.9
367.24728	9.6
435.31995	0.6
437.34131	0.8
489.35684	13.0
507.36594	2.2
511.37512	0.9
515.36682	0.7
527.37195	1.2
529.38788	29.4
530.38879	1.4
535.41327	0.9
547.39691	0.9
553.41980	0.9
569.41760	5.4
584.85870	0.7
609.45013	21.0
610.44995	0.9
613.46625	0.6
627.36102	1.0
627.46100	14.6
726.47528	1.4
738.56378	0.8
842.55310	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	840.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02899	4.6
65.03925	5.2
65.47524	1.3
67.05491	91.6
68.05804	1.8
69.03412	10.2
69.07053	37.1
71.04987	7.2
71.08609	4.2
71.24863	3.3
73.02890	3.1
79.05477	81.8
80.05802	1.6
81.03400	14.3
81.07039	100.0
82.07374	3.2
83.04959	13.1
83.08598	21.3
85.02885	8.3
85.06528	5.4
86.09698	6.6
86.10120	1.1
91.05463	90.4
93.07025	90.1
95.04953	16.3
95.08587	67.8
97.02864	5.1
97.06030	1.1
97.06529	13.5
97.10162	9.0
99.08062	5.0
101.06055	1.3
103.05429	2.9
104.06210	1.1
105.04496	1.8
105.07011	89.7
106.07330	1.5
107.04948	8.9
107.08572	52.6
109.02866	1.5
109.06487	9.4
109.10134	24.9
111.04382	1.3
111.08066	8.3
113.09609	2.0
115.05453	4.3
117.06998	33.2
119.08556	71.6
120.08856	2.5
121.06474	4.7
121.10121	39.7
123.08039	8.0
123.11682	7.4
124.99976	3.4
125.09593	4.5
127.03895	3.8
128.06166	5.4
129.05482	2.6
129.06995	21.9
130.07716	3.6
131.08542	46.4
132.08951	1.2
133.06494	2.7
133.10101	54.1
134.10388	1.9
135.07994	6.2
135.11665	24.8
137.09566	4.6
137.13211	2.2
139.11159	2.7
141.07025	6.1
142.07768	3.1
143.08533	24.7
144.09296	1.1
145.06462	2.6
145.10098	42.6
147.08028	5.1
147.11652	38.7
149.09583	10.3
149.13225	13.3
151.11198	2.8
153.01794	11.1
153.09151	1.2
155.08540	13.5
156.09364	1.8
157.10098	22.8
159.08061	2.7
159.11665	29.9
161.06046	1.1
161.09598	4.0
161.13228	20.6
163.11166	9.9
163.14771	3.7
165.07074	1.5
165.12700	2.6
167.08566	6.5
168.09322	2.6
168.78918	1.2
169.10110	15.3
170.10875	1.4
171.11655	24.3
173.04414	4.0
173.09583	2.2
173.11801	2.3
173.13239	17.1
175.11160	3.7
175.14771	8.6
177.12750	3.4
179.08571	2.2
179.14316	1.3
181.10057	7.3
181.12192	1.7
183.11646	11.3
184.07321	13.3
185.09583	2.3
185.13211	14.4
187.11145	2.3
187.14786	6.1
189.16389	1.9
191.14326	1.6
193.10036	2.4
195.11656	8.2
195.13780	3.5
197.13251	11.0
199.14777	10.3
201.12694	1.8
201.16357	3.6
203.14305	1.8
205.10193	1.3
207.11755	2.7
209.13277	6.1
211.11105	1.2
211.14761	7.4
213.05383	1.7
213.12888	1.3
213.16354	5.3
217.15894	1.7
221.13248	3.1
223.14737	4.0
225.12738	1.6
225.16380	2.5
227.12712	3.1
227.17915	3.0
229.14149	1.9
229.19492	1.6
231.21078	4.0
235.14798	2.8
236.99832	1.0
237.16354	3.4
239.17900	4.2
241.19496	16.9
245.04427	3.5
245.19055	1.4
249.16414	2.2
251.17992	1.6
253.19716	1.4
255.15756	9.4
257.18997	6.4
259.20541	43.5
260.20880	1.9
261.19437	1.2
261.22095	4.4
265.19641	1.9
267.15894	4.3
269.17331	16.2
273.18469	3.3
275.20065	20.7
277.21552	3.4
283.20572	2.0
289.21518	1.4
291.19574	3.2
293.21295	1.6
295.20398	1.2
297.22000	1.9
301.21738	2.1
309.22086	1.8
313.21457	2.0
315.23135	6.9
323.23553	2.3
325.07025	1.4
327.23029	1.9
331.22672	2.4
333.24182	50.7
334.24603	2.2
335.26007	7.6
339.23041	1.7
341.24677	1.5
347.22189	1.9
349.23807	13.8
350.24030	1.5
351.24469	1.4
365.23404	2.4
367.24637	4.1
407.28806	1.3
417.31442	3.2
421.30725	2.4
423.32645	1.8
433.30661	1.6
435.32214	5.3
439.31772	1.6
445.29669	1.9
453.33496	5.4
457.33218	1.6
461.19720	1.7
463.17682	6.5
471.34555	2.7
473.34085	1.6
481.32681	2.3
487.33893	1.8
489.35562	2.2
495.34586	2.8
497.36877	1.5
501.35684	1.7
509.35837	3.4
513.35706	24.0
514.35718	1.8
515.37836	7.4
517.38483	1.4
525.35828	2.5
527.37250	45.1
528.37549	3.1
531.36536	3.8
533.40027	2.2
543.36176	2.2
544.37994	1.7
545.38342	10.0
551.40619	3.3
567.40112	3.4
597.45160	2.0
607.43555	32.2
608.43689	3.0
625.44574	29.7
626.44348	3.0
635.39825	1.7
643.44702	3.3
661.33698	17.4
689.42743	2.8
751.47742	1.8
769.47900	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	840.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04970	1.7
61.02914	4.2
65.03931	6.2
67.05492	89.3
68.05815	2.0
69.03416	21.2
69.07055	56.8
70.00238	7.3
71.01328	1.5
71.04975	21.6
73.02906	5.2
74.37005	1.2
77.03912	1.3
77.24806	1.4
79.05477	84.9
80.05779	1.7
81.03401	21.9
81.07039	89.3
83.04963	15.3
83.08604	16.0
85.02895	10.9
85.06525	6.0
91.03909	1.9
91.05457	56.6
92.05800	1.7
93.06419	2.1
93.07027	76.7
95.04944	23.5
95.08587	58.6
97.02881	12.2
97.06511	80.0
97.10148	5.1
98.20702	2.5
99.04429	4.1
99.08070	4.8
103.05424	1.6
105.04500	1.6
105.07004	40.9
105.07706	2.4
107.04922	10.4
107.08578	41.5
109.02869	6.1
109.06493	19.8
109.10139	24.1
111.04432	1.8
111.08048	8.0
113.05967	1.5
115.05430	3.7
115.07551	26.1
117.06995	21.9
119.08561	31.7
120.08870	1.5
121.06471	8.7
121.10126	28.9
123.08040	5.9
123.11701	5.8
125.09576	3.9
125.43996	1.2
127.03893	8.0
127.07487	2.5
128.06151	2.6
129.05455	2.8
129.06975	10.5
131.08542	27.7
133.06461	6.3
133.10097	25.6
135.08031	11.0
135.11671	16.1
137.05988	1.6
137.09604	3.7
141.06999	2.7
143.08556	7.1
145.04944	2.5
145.06496	3.1
145.10094	18.6
147.08025	5.5
147.11668	9.7
149.09610	4.9
149.13228	12.0
151.07501	1.7
151.11177	4.2
153.09077	1.9
155.08540	1.8
157.10085	8.4
159.08060	3.4
159.11664	17.2
161.09547	6.6
161.13254	8.2
163.11189	3.8
163.14787	3.0
165.12691	1.7
167.08586	1.6
169.10048	3.4
169.12100	1.5
171.08005	1.6
171.11678	6.1
173.04424	9.0
173.05743	1.7
173.09627	3.0
173.13139	6.6
175.11131	4.2
175.14792	3.3
177.12735	3.8
177.16396	1.7
179.10675	1.5
179.14204	1.4
181.10120	1.6
183.11687	3.2
184.07222	2.3
185.13203	3.5
187.11137	3.2
187.14795	3.0
189.12724	1.8
195.11681	2.8
195.13652	1.9
197.13307	2.7
199.11119	1.6
199.14789	3.1
201.07552	3.8
201.12799	2.2
217.15875	9.2
217.19421	1.4
229.14540	1.7
231.45592	1.7
233.15303	3.7
239.17862	1.5
241.10699	1.8
243.21182	2.2
245.18982	3.0
251.16539	1.6
253.14310	3.8
255.17581	2.7
259.20520	1.5
261.19708	1.4
261.22107	9.8
267.15939	2.3
269.17365	13.6
273.15503	1.2
273.18430	32.3
275.20001	3.8
277.21613	1.3
291.19482	19.1
307.19003	1.6
335.25754	100.0
336.26059	4.0
347.22028	12.5
365.23175	13.6
366.23300	1.4
383.24133	2.7
391.28683	1.7
515.37476	3.4
529.38788	28.8
531.36298	2.4
545.38177	2.4
555.40479	2.0
557.37952	1.9
567.40558	3.8
607.43390	9.0
625.44464	27.4
643.45520	9.9
644.32574	1.6
840.47131	1.8
841.46155	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	840.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02899	2.2
62.36668	1.1
65.03916	4.8
67.05492	93.3
69.03418	8.8
69.07054	34.7
70.06557	1.7
71.04971	7.0
71.08616	2.1
73.02879	1.5
79.05476	78.5
80.05829	1.3
81.03399	12.5
81.07040	100.0
83.04965	11.1
83.08601	17.3
85.02892	8.2
85.06525	5.6
91.05465	87.6
93.07027	88.5
94.07374	1.7
95.04388	1.5
95.04956	15.2
95.08592	65.9
97.02866	5.9
97.06506	13.0
97.10148	9.6
99.04448	1.7
99.08064	3.4
103.05422	3.4
105.07011	81.7
107.04920	8.2
107.08570	53.9
109.02814	1.8
109.06525	7.3
109.10143	25.2
111.04401	1.9
111.08054	6.4
113.90520	1.2
115.05378	3.5
115.90162	1.3
116.06207	2.2
116.07034	2.6
117.06994	31.6
119.08561	65.1
121.06489	4.9
121.10128	32.4
123.08034	4.8
123.11711	8.0
125.09588	4.0
127.03822	2.1
128.06187	3.9
129.05464	2.9
129.06989	16.9
130.07692	1.4
131.08539	44.4
133.06456	2.3
133.10106	51.3
135.08028	7.2
135.11668	28.9
137.09602	5.5
137.13269	1.6
139.11090	2.8
139.43207	1.4
141.06961	5.4
142.07762	3.7
143.08533	20.4
144.09265	1.7
145.06468	2.9
145.10103	37.4
147.08028	3.8
147.10541	2.6
147.11662	38.5
147.12837	2.0
149.09589	11.4
149.13232	12.9
151.11093	5.2
153.01785	1.9
155.08516	9.1
157.10112	21.2
159.08040	2.3
159.10359	2.3
159.11667	30.3
161.09584	3.5
161.13260	18.6
163.11145	8.5
163.14845	4.0
165.12749	1.8
167.08521	4.6
169.10098	10.0
170.10820	1.5
171.11658	18.6
173.04387	2.7
173.05885	1.6
173.09738	1.8
173.13213	14.0
175.11172	4.9
175.14761	9.1
177.12740	4.4
179.08495	1.5
179.14288	1.5
181.10112	5.3
181.12259	1.5
183.11693	11.4
184.07309	3.6
185.09676	2.4
185.13187	13.2
187.11118	1.6
187.14749	5.9
189.12787	2.5
189.16389	1.6
191.14348	2.0
193.10103	1.8
194.11102	1.2
194.42712	1.3
195.11665	6.0
195.13731	4.1
197.13249	8.2
197.59654	1.2
199.14784	7.2
201.16449	2.7
203.14337	2.3
207.11650	3.9
207.13605	1.3
209.13242	5.4
211.14784	4.2
213.16457	2.9
217.15823	2.1
217.19350	1.4
223.14906	2.4
225.16458	3.0
227.17944	2.2
229.19554	1.7
229.58273	1.3
231.17381	1.7
231.21031	3.2
235.14754	2.5
237.16402	3.3
239.17908	3.0
241.19527	16.5
245.18964	2.3
247.76234	1.3
249.16360	1.9
251.18158	1.7
253.14346	3.7
255.15744	15.7
257.18954	6.4
259.20535	40.6
261.22128	2.5
267.15848	2.8
269.17365	24.9
271.20557	1.3
273.18472	5.7
275.20056	18.4
277.21500	3.1
283.20526	2.1
291.19519	4.5
297.21945	2.5
301.21436	1.5
313.21408	1.9
315.23312	6.8
315.26416	1.6
323.23843	1.4
325.24899	1.5
332.82108	1.3
333.24210	40.5
335.25818	12.2
337.24933	2.1
347.22345	1.5
349.23734	9.8
351.25034	2.6
355.26227	1.4
365.23264	6.3
367.25046	6.5
417.31329	2.8
435.32700	10.1
453.33505	6.7
471.34619	3.5
473.33298	1.8
489.35651	1.5
497.36783	1.5
501.35730	2.4
509.36102	3.8
513.28711	1.9
513.35632	15.4
514.35895	1.4
515.37305	3.1
517.39288	2.5
527.37244	62.6
527.45282	3.1
528.37091	1.6
531.36658	2.6
533.40106	1.8
539.37109	1.9
545.38477	12.6
604.63562	1.3
607.43591	24.2
625.44513	33.5
626.44745	1.6
635.38953	1.5
643.45288	4.4
653.40045	2.1
661.33148	2.3
671.41388	1.9
689.42566	2.9
769.48517	2.8
805.36603	1.5
841.46582	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	0.9
61.02910	4.4
65.03929	4.2
67.05492	82.5
68.05812	1.2
68.72482	1.1
69.03416	13.9
69.07056	55.9
71.04980	21.9
71.08621	1.6
71.79153	2.2
73.02903	7.1
73.06541	1.2
77.03900	1.9
79.05479	71.8
81.03405	23.6
81.07040	84.7
82.07369	1.4
83.04969	11.8
83.08612	10.4
85.02900	9.0
85.06528	5.4
91.03933	1.4
91.05462	57.7
93.07028	72.4
95.04947	21.2
95.08588	53.5
97.02873	11.0
97.06512	100.0
97.10146	4.9
98.06842	1.2
99.04436	3.3
99.08073	6.7
103.05443	1.9
105.04498	1.4
105.07011	43.4
107.04934	10.2
107.08575	39.3
109.02862	3.5
109.06499	25.0
109.10127	24.2
111.08059	6.7
113.05991	1.6
115.05437	3.0
115.07549	33.9
117.07005	19.1
119.05003	1.1
119.08553	26.5
121.06511	7.0
121.10119	27.3
123.04426	1.5
123.08073	7.2
123.11693	7.2
125.00028	1.0
125.09624	5.0
127.03905	10.6
127.07534	2.5
128.06190	3.0
129.05476	1.7
129.06985	10.0
130.07806	2.0
131.08549	25.5
133.06523	5.7
133.10109	25.0
135.08038	9.9
135.11678	17.2
137.09593	3.0
139.07445	1.1
139.11220	1.8
141.06932	3.0
142.07777	2.0
143.06992	1.3
143.08534	8.3
145.06438	2.6
145.10100	18.9
146.08028	1.4
147.08014	6.9
147.11646	10.1
149.09621	5.7
149.13210	14.4
151.11186	4.7
155.08501	3.0
157.10059	8.9
159.07994	2.4
159.11661	14.4
161.09608	5.6
161.13211	6.6
163.11147	4.5
163.14819	2.8
165.09058	1.5
169.10092	3.5
171.07986	1.4
171.11609	6.3
173.04443	8.0
173.09602	3.1
173.13202	7.7
175.11133	5.8
175.14795	2.0
177.09055	1.2
177.12712	5.5
181.10170	1.7
181.12167	1.1
183.11652	1.8
184.07317	4.8
185.09566	1.7
185.13252	3.9
187.11134	1.6
187.14824	3.7
189.11169	1.2
193.12265	1.9
195.11758	1.6
195.13814	4.2
197.13217	1.9
199.11224	2.1
199.14702	2.2
201.12608	1.3
201.16379	2.3
203.14267	2.3
215.14336	1.6
217.15843	8.3
219.17320	1.4
221.15305	1.3
227.12715	2.0
227.17967	4.0
229.14308	1.4
233.15356	3.9
235.16872	1.9
237.16518	1.7
241.10609	2.3
243.21051	2.6
245.18965	4.8
249.14755	1.4
251.16269	1.8
253.14378	4.2
254.41867	1.2
255.17561	2.6
259.20694	2.9
261.22144	10.7
263.19925	2.3
267.15945	5.0
269.17447	18.4
273.18481	34.0
274.18973	1.0
275.20056	3.0
279.15781	1.3
291.19434	17.7
293.21225	1.4
297.17014	1.5
307.19016	4.4
309.20660	1.5
317.24759	2.0
329.21191	2.0
333.24176	2.9
335.25745	83.3
336.25937	1.3
337.27151	1.5
337.35703	1.2
347.22034	12.4
349.23651	1.5
363.25327	1.3
365.23129	14.0
383.24286	3.8
411.06241	1.0
515.37042	2.6
527.36987	2.3
529.31189	2.5
529.38794	30.6
530.39081	3.1
545.37939	1.9
551.40747	1.5
555.39667	2.1
557.38202	3.1
567.40338	2.0
585.41217	1.7
607.43579	8.4
625.44519	21.0
638.02570	1.2
643.45465	10.4
652.04297	1.3
787.48151	1.2
790.25787	1.4
841.44775	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	838.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	1.1
60.84640	1.2
65.03911	5.2
67.05490	74.9
69.03418	7.0
69.07054	27.2
69.96202	6.2
70.06564	1.8
71.04986	6.6
71.08591	1.2
77.03918	1.6
79.05477	60.0
81.03406	8.1
81.07040	86.4
82.07364	1.2
83.04967	11.9
83.08598	11.2
85.02859	2.4
85.06525	8.0
86.09695	1.6
87.04460	3.0
91.05460	99.2
93.07024	69.1
95.04945	18.1
95.08588	45.9
97.02850	1.3
97.06509	7.7
97.10152	4.5
99.04449	2.1
99.08061	2.1
103.05460	4.1
105.07008	97.4
106.07278	1.6
107.04942	9.6
107.08570	56.6
109.06480	11.7
109.10134	57.4
111.04404	1.5
111.08069	6.0
111.08689	1.1
113.05983	1.7
113.09597	1.0
113.24174	0.9
115.05437	3.6
115.07574	1.3
116.06281	2.3
116.07049	4.0
117.06997	26.5
118.07751	1.0
119.04928	1.6
119.08558	54.2
121.06486	8.2
121.10116	24.1
123.04401	1.2
123.08044	8.1
123.11674	11.8
123.65160	1.0
125.05933	1.6
125.09595	4.5
127.07524	2.6
128.06206	4.3
129.06985	14.5
130.07753	1.8
131.08542	33.0
133.06493	4.5
133.10100	100.0
134.10469	1.0
134.23700	0.9
135.08040	8.4
135.11661	18.4
137.09593	5.4
139.07524	1.7
141.06953	2.6
142.07744	2.4
143.08531	15.8
144.09265	1.5
145.06476	2.3
145.10081	27.1
147.08011	4.0
147.11662	31.9
149.09579	8.5
149.13210	9.0
149.99603	0.9
151.07594	1.4
151.11139	31.4
155.08533	5.0
156.09326	1.3
157.06520	1.4
157.10089	13.6
159.08075	2.8
159.10361	1.3
159.11670	20.8
161.09581	7.9
161.13232	18.0
163.07538	1.6
163.11169	5.1
163.14774	2.4
165.09074	1.1
167.08562	1.9
169.10149	5.4
169.12195	3.6
170.10904	1.3
171.10316	1.6
171.11665	15.8
173.09589	1.8
173.13220	11.2
175.11154	4.0
175.14787	9.6
177.09152	1.7
177.12697	2.1
179.10640	2.2
181.10103	2.6
183.11668	4.2
184.07317	2.7
185.13246	10.0
187.11160	1.6
187.14786	4.6
189.12727	3.4
189.16365	1.3
191.14192	1.1
193.12233	1.5
195.11690	3.0
197.11641	1.8
197.13268	2.7
199.11246	2.1
199.14751	5.8
201.12787	1.6
201.16420	2.7
203.14287	2.0
207.11726	1.8
207.13779	1.3
209.13235	2.9
211.14822	2.8
213.16309	3.5
215.12724	4.0
215.17844	1.2
217.15973	1.3
221.13234	2.0
223.14864	1.4
227.17859	3.0
231.17342	1.2
231.20995	4.6
237.16379	1.3
239.17935	2.3
241.15814	1.2
241.19479	22.0
243.21007	1.5
245.18994	4.5
253.14290	76.0
255.17545	2.4
257.18900	3.4
259.20535	52.3
260.20810	1.3
261.18555	1.7
261.22110	1.5
263.20032	4.4
271.15417	3.6
271.20279	1.0
273.18512	15.1
275.19986	3.3
277.21579	1.6
283.20435	1.8
287.19910	1.7
289.17981	5.5
289.21234	1.3
291.19473	18.1
297.18713	1.4
297.22031	1.3
301.21597	1.4
309.20468	1.7
313.21457	2.8
315.23151	8.9
331.22449	2.3
333.24179	55.8
335.25842	6.9
343.22946	1.0
347.21960	4.6
349.24500	1.3
353.28293	3.0
361.23602	1.1
363.21597	4.2
365.23172	30.7
381.22708	1.8
409.30728	2.3
419.29456	3.2
430.19296	1.1
434.66022	1.1
437.30478	3.3
455.31351	4.3
463.33167	1.0
483.34354	1.6
489.35226	1.4
501.35709	5.4
511.34216	14.0
513.36554	3.8
525.35504	2.1
529.35052	22.1
531.38232	6.6
543.36621	1.5
549.39124	4.5
567.40417	1.1
587.40704	1.3
595.43243	2.3
605.41919	10.6
609.44891	1.9
623.42944	53.0
641.44012	8.3
673.37598	1.1
849.53033	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47551	0.6
61.02917	6.2
63.34392	0.5
65.03938	0.6
67.05490	7.9
69.03412	3.9
69.07058	1.7
69.49215	5.2
71.04993	0.6
73.02909	5.2
79.05472	4.2
80.95781	0.5
81.03400	1.9
81.07047	7.7
83.04965	1.1
83.08618	0.7
85.02899	7.8
91.03941	4.9
91.05465	2.8
93.07021	5.3
93.12507	0.5
93.38672	0.5
95.04964	1.6
95.08591	5.9
97.02875	5.3
97.06532	0.7
99.04444	1.3
101.02349	2.7
103.03965	0.6
105.06967	2.6
107.08564	2.6
109.02896	0.9
109.06526	0.5
109.10158	1.9
117.07005	0.9
119.08576	2.1
121.10138	2.0
123.00117	0.5
123.11711	0.5
127.03933	1.8
131.08575	1.5
133.10107	1.8
135.11693	1.7
145.10117	1.0
149.13228	0.6
159.11728	0.9
159.54219	0.5
173.13365	0.6
177.19771	0.5
184.07347	0.9
185.04198	0.6
188.71480	0.5
222.92545	0.6
224.93994	0.5
243.08423	2.5
313.03122	0.8
333.20331	3.9
335.25903	0.6
389.23016	0.6
394.24304	0.5
453.21106	0.8
519.29260	8.6
551.28149	3.5
829.50562	100.0
830.51025	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	826.566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	6.6
65.03924	5.4
67.05490	95.1
69.03418	12.3
69.07053	26.0
70.14584	3.6
70.14980	5.0
71.04977	6.1
71.08624	13.3
73.02891	4.7
79.05476	63.5
81.03406	12.9
81.07037	93.6
83.04955	13.4
83.08601	21.0
85.02878	8.2
85.06508	2.5
85.24634	1.7
86.09684	3.9
91.04906	3.0
91.05461	45.1
93.07024	76.1
95.04954	14.9
95.08587	54.6
97.02876	8.1
97.06492	6.3
97.10144	4.9
99.04408	1.7
99.08067	8.9
105.07001	25.3
106.07338	2.0
107.04968	2.2
107.07887	3.3
107.08569	42.2
109.02829	3.5
109.06493	4.7
109.10140	19.4
111.08054	5.7
117.06986	15.2
119.08563	20.9
121.10110	27.4
123.11684	5.9
124.99938	3.0
125.09598	4.9
127.03868	4.6
129.05461	3.0
129.06989	4.0
131.08539	19.2
133.10101	19.6
135.08069	2.8
135.11679	18.5
143.08481	3.7
145.10068	12.9
147.08035	2.8
147.11678	12.9
149.13234	14.8
151.11150	12.0
157.10074	5.0
159.11679	14.4
161.13229	7.0
163.11156	7.9
163.14729	2.6
170.34012	1.7
171.11707	3.5
173.13222	4.8
175.14836	2.3
177.12723	3.3
179.14272	2.5
183.11623	2.2
184.07304	14.8
185.13283	4.4
187.11264	2.1
187.14696	3.1
195.13786	7.5
227.12630	3.1
229.14423	2.5
243.21210	2.1
259.20526	4.5
261.21985	9.0
263.23700	2.2
267.15857	1.9
269.17422	40.4
270.17929	1.9
275.20187	2.1
277.21503	9.4
323.38254	1.7
331.22589	1.8
333.24063	2.1
335.25739	83.5
336.26016	4.8
337.27213	15.3
349.23770	4.1
351.25272	14.7
413.21487	3.4
489.35690	3.8
491.98242	1.7
519.29364	4.3
529.38776	100.0
530.39337	8.6
611.46814	23.2
629.47955	2.5
649.39465	1.9
656.32257	1.7
673.43530	2.2
827.48981	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	826.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	2.7
60.08146	0.4
61.02915	9.6
62.56604	0.3
65.03917	1.0
67.05492	53.8
68.05821	0.5
68.95677	0.3
69.03419	2.0
69.07059	4.9
69.30780	0.2
70.23601	0.5
70.24004	0.9
70.26560	0.4
71.04986	2.2
71.08619	15.4
73.02900	3.2
77.66726	0.3
79.05466	1.4
81.03432	0.6
81.07042	14.5
83.08235	0.3
83.08604	10.0
85.02890	12.5
85.06510	1.6
85.09655	0.6
85.10165	10.1
86.09692	1.1
87.04483	0.4
89.06001	0.8
91.03938	8.7
91.05460	4.6
93.07014	3.2
95.08589	14.7
96.04485	0.3
97.02878	5.9
97.06501	0.6
97.10150	2.9
98.20744	0.4
99.04437	0.7
99.08045	0.4
99.11712	0.6
101.06050	0.3
103.07570	0.9
105.07024	0.7
107.08542	1.3
109.02841	0.8
109.10137	62.0
110.10477	0.8
111.08052	2.2
111.11682	0.7
115.03903	0.4
117.06967	0.3
119.08556	4.2
121.10110	0.6
123.11697	2.0
124.99998	0.6
127.03896	2.9
127.11154	0.3
135.11671	0.4
135.23251	0.3
137.09599	2.7
137.13206	1.0
144.06532	0.3
145.04938	3.5
145.10118	0.4
151.14868	0.3
155.10637	3.5
163.05977	3.6
165.16319	0.5
169.84247	0.3
173.11703	18.5
184.07332	2.9
221.22575	0.5
229.14310	100.0
230.14635	2.4
239.23660	1.4
257.24741	1.5
298.27502	0.5
313.27307	72.8
314.27704	2.4
350.10498	0.3
373.18857	0.5
467.37256	61.0
468.37534	3.0
532.06555	0.4
581.18347	0.3
611.45898	1.0
773.95221	0.3
854.51196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	1.0
61.02911	1.5
65.03931	3.9
67.05492	76.6
69.03422	6.5
69.07055	35.1
70.04270	6.1
71.04989	4.2
71.08638	1.0
79.05479	62.8
81.03387	6.0
81.07040	70.8
82.07396	1.1
83.04964	6.6
83.08608	18.1
85.02912	4.3
85.06518	3.2
86.09714	1.1
91.05462	41.6
93.07026	60.9
95.04945	7.8
95.08588	47.9
97.02878	2.8
97.06511	12.6
97.10150	30.1
99.04474	0.9
99.08067	2.0
103.05483	1.0
105.07009	43.4
107.04940	7.8
107.08570	59.8
108.08921	1.0
109.02796	2.0
109.06500	7.5
109.10138	24.2
111.08064	3.7
115.05433	1.1
117.06990	14.0
119.08559	29.5
120.08883	0.9
121.06502	3.3
121.10126	27.2
123.08039	3.0
123.11710	6.9
125.09609	26.4
127.03885	2.6
128.06180	1.1
128.84509	0.8
129.06987	3.3
131.08543	23.3
133.06467	1.4
133.10097	23.9
135.08020	5.8
135.10716	1.6
135.11658	14.2
137.09599	3.1
137.13245	2.7
138.44391	0.8
139.11101	1.1
141.06940	1.8
143.08534	5.0
145.06433	1.1
145.10095	21.2
147.08023	2.1
147.11658	18.4
149.09595	14.0
149.13223	7.8
150.54663	0.9
151.11162	2.0
153.09129	2.5
155.08525	3.2
157.10059	4.2
159.11668	13.4
161.09630	1.1
161.13205	8.2
163.11179	6.0
163.14793	2.4
165.09096	1.3
165.12740	1.8
169.10165	3.3
171.10254	1.5
171.11697	5.4
173.13222	9.0
175.11165	1.1
175.14812	4.2
177.12743	1.4
177.16286	1.0
179.14305	1.3
183.11655	2.1
184.07356	1.9
185.13237	4.7
186.50418	0.9
187.11163	1.2
187.13284	1.4
187.14816	2.7
189.11212	14.3
189.12830	1.7
192.38472	1.0
197.13213	2.9
199.14740	1.8
201.16348	2.7
203.14279	1.4
209.15294	1.0
211.14734	1.1
215.17923	2.0
219.17387	2.9
223.14740	1.0
227.12741	29.4
229.19435	2.1
237.16396	1.0
239.17949	2.5
241.19514	1.3
243.21022	3.3
245.13779	1.4
247.20564	2.1
257.18979	9.9
259.20480	4.6
261.22110	13.6
267.15884	3.6
275.20007	46.6
276.20364	2.0
277.21622	1.4
293.21017	2.6
317.24725	3.6
329.16940	1.2
331.22540	2.6
331.26132	1.1
333.24225	3.0
335.25735	93.9
336.26038	2.5
349.23679	65.2
350.24283	2.0
351.25162	2.6
367.25085	1.3
367.29849	1.7
371.52667	0.9
384.21780	0.9
389.17969	4.1
431.31772	1.9
487.34326	1.3
505.35168	15.6
513.38788	1.6
515.37128	2.9
517.40479	2.1
527.38635	0.9
535.41479	1.0
553.41962	0.9
575.35840	0.9
591.43958	1.6
609.45001	100.0
610.45447	7.2
627.46002	19.0
628.46216	1.0
649.38745	2.3
789.68390	1.0
825.47516	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	824.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	2.0
65.03922	3.9
67.05496	72.0
69.03427	8.5
69.07059	27.0
71.01321	1.1
71.04976	4.8
73.02901	1.2
77.03920	0.8
79.05482	56.8
81.03409	9.0
81.07044	83.5
83.04960	8.3
83.08608	12.9
84.49381	0.7
85.02894	4.6
85.06518	3.1
86.09689	1.4
91.05469	46.4
93.07030	66.0
94.07321	0.9
95.04958	10.4
95.08594	53.3
97.02867	4.7
97.06516	12.1
97.10143	4.9
99.04454	1.7
99.08070	2.6
103.03947	1.1
105.04514	1.2
105.07016	33.6
107.04948	6.2
107.08580	38.2
109.02869	1.0
109.06510	7.0
109.10138	21.6
111.04421	1.7
111.08067	2.6
111.11751	1.1
113.06014	1.2
113.09615	1.4
115.05431	1.8
117.07001	14.3
117.07771	1.1
119.08567	25.2
121.06474	3.2
121.10125	25.8
123.08058	4.5
123.11697	5.9
125.00017	0.9
125.09602	3.3
127.03911	2.4
128.06221	0.9
129.05460	2.3
129.06982	5.3
130.07805	1.1
131.08548	21.8
133.09152	1.5
133.10112	22.2
133.11116	1.3
135.08035	3.4
135.11676	16.8
137.09584	2.7
137.13214	0.9
139.11183	1.1
141.06963	1.2
143.08540	4.9
144.09380	1.0
145.10106	16.1
147.07994	1.4
147.11670	12.5
149.09616	7.7
149.13211	10.2
151.11139	1.6
155.08546	1.9
157.10098	7.6
159.11668	15.3
161.09589	1.4
161.13235	6.5
163.11194	4.7
163.14780	2.9
165.12794	1.4
169.10152	2.6
171.11647	3.6
173.04391	3.5
173.09541	1.2
173.13216	7.5
175.11185	1.1
175.14835	2.5
177.12730	2.6
177.16440	0.9
179.14275	1.4
181.12135	1.2
183.11652	3.4
184.07297	6.1
185.13150	4.2
187.14796	3.7
191.14265	1.0
195.13782	4.4
197.13271	1.7
197.86638	0.9
199.14862	1.8
201.12738	0.8
201.16389	1.5
203.14224	1.4
217.15866	1.5
219.17430	1.1
227.12566	1.0
229.14355	2.4
229.19456	1.5
235.16943	0.9
239.17892	3.1
241.19489	1.6
243.12515	1.0
243.21097	2.9
247.20494	1.7
255.15869	7.4
257.19019	7.5
259.20505	2.5
261.22104	10.6
267.15930	2.5
269.14661	1.7
269.17426	25.2
275.19992	22.0
289.21347	0.9
291.19485	1.9
293.21155	1.8
309.20520	4.3
317.24741	2.8
329.24557	0.9
331.22662	2.3
333.24045	2.1
335.25766	100.0
336.26160	2.7
339.17929	0.8
344.28568	0.8
349.23682	20.6
367.24762	3.8
413.21628	1.5
437.34067	1.5
489.35358	2.8
511.37381	1.0
515.37335	14.1
529.38849	66.8
530.39020	1.9
543.40344	1.6
545.37152	1.0
569.42029	12.3
581.45728	1.0
609.45068	27.6
610.45587	1.5
627.45874	8.4
673.42493	1.0
832.29236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37169	0.2
59.45075	0.3
60.46856	0.3
61.02915	1.4
67.01839	1.3
67.05499	2.6
68.18896	0.3
68.99764	0.9
69.03407	1.4
69.07056	2.2
71.08617	2.8
71.78928	0.6
73.02884	0.6
79.05458	1.2
81.03413	0.4
81.07040	2.4
83.08588	1.1
85.02878	1.3
85.10146	1.5
91.03953	0.5
91.05460	0.7
91.67321	0.3
93.07021	1.3
95.08575	2.4
96.43579	0.3
97.02857	1.4
100.11219	1.1
107.08533	0.6
109.10124	0.5
111.00777	0.4
119.08585	0.5
123.04407	0.3
127.03875	0.6
131.08548	0.4
133.10054	0.3
152.64056	0.3
153.01802	72.2
154.02142	1.1
155.03416	0.8
165.07021	0.5
167.03407	0.6
171.02870	1.1
173.05992	1.2
175.03906	0.3
181.01331	0.5
181.06421	0.9
184.07359	0.4
185.05934	0.4
187.07587	0.4
189.05441	0.5
193.06471	0.5
197.05930	0.8
199.07541	1.0
200.04726	0.3
201.05486	0.5
203.03333	0.4
209.05984	0.6
210.06792	0.3
211.07516	1.2
213.05453	1.9
213.09047	0.5
214.02417	0.4
214.06100	0.5
215.07039	0.7
219.08231	0.4
223.03813	0.4
223.07564	0.6
225.05420	0.4
226.06302	1.4
227.03409	0.4
227.06924	2.3
229.04849	0.6
233.06091	0.4
235.07634	0.5
237.05493	0.6
239.06956	1.7
240.04163	0.7
240.07675	0.5
241.04878	2.2
241.08589	0.7
243.06306	0.4
247.07642	0.3
249.05492	0.4
251.07074	1.0
253.08556	0.7
254.05653	0.4
255.02763	0.4
255.06493	1.9
257.04541	0.4
267.06497	1.6
268.07266	0.3
269.04504	1.2
269.08093	0.8
279.06476	0.7
281.04425	0.3
282.05252	0.4
283.05890	0.3
285.03946	0.4
293.04422	0.5
307.06195	0.4
309.18369	0.5
311.05646	0.3
313.03464	1.0
314.04211	0.4
325.06979	0.5
325.18039	0.5
327.19513	1.2
331.06061	0.4
335.16458	0.5
339.04944	0.5
347.25714	0.3
348.06516	0.3
349.07132	0.9
353.06396	0.4
353.17480	1.3
355.19046	0.8
359.16278	0.4
367.19016	2.9
368.19443	0.5
377.06516	1.4
378.07175	0.3
381.16949	1.0
383.18451	0.5
395.18494	0.8
463.31943	0.4
479.31589	4.8
480.31998	0.7
481.33057	21.1
482.33295	2.1
489.19061	2.0
491.32297	0.4
507.31027	22.1
508.31232	2.1
509.32587	3.9
510.32794	0.4
531.20197	0.6
535.30499	5.5
536.30579	0.9
643.32721	2.1
661.33606	100.0
662.33875	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	822.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	9.6
57.07059	1.6
59.04995	0.9
60.08149	2.3
61.02916	1.1
65.03927	2.4
67.05493	55.4
68.05830	0.5
69.03120	0.2
69.03416	8.7
69.07056	29.0
70.07349	0.3
71.04980	3.0
71.07361	1.0
71.08633	0.4
71.82647	0.4
73.02914	0.7
73.06519	0.3
77.03907	0.7
78.64816	0.3
79.05479	36.8
80.05819	0.4
80.06247	0.3
81.03406	4.7
81.07040	50.6
82.07379	0.6
83.04962	4.8
83.08601	11.6
85.02888	1.6
85.06528	1.9
85.54774	0.3
86.09691	9.6
91.03947	0.6
91.04617	0.5
91.05464	26.4
93.07027	39.8
95.01308	0.6
95.04957	9.4
95.08590	35.4
96.08958	0.4
97.02877	9.5
97.06499	4.3
97.10149	11.9
98.98446	0.9
99.04427	0.3
99.08075	1.1
103.05451	0.8
104.10735	1.0
105.04523	0.5
105.06420	0.3
105.07012	17.4
107.04945	5.7
107.08574	25.6
108.05698	0.4
109.02868	0.5
109.06499	3.9
109.10135	17.2
111.04429	0.8
111.08083	2.4
113.09647	0.4
115.05466	0.6
116.06245	0.4
117.07005	8.1
119.04942	1.2
119.08563	16.8
120.05741	0.3
121.06509	2.9
121.10123	15.8
123.04441	0.5
123.08056	3.4
123.11690	3.7
124.99987	6.0
125.09609	7.5
125.17033	0.3
127.03923	0.4
127.07510	1.8
128.06189	0.7
129.05466	0.5
129.06996	2.9
130.07774	0.8
131.08542	11.5
133.06476	3.2
133.10103	9.8
133.11113	0.5
134.07269	0.8
135.08037	3.5
135.11667	9.6
137.06018	0.4
137.09566	2.1
137.13222	1.0
139.11179	0.6
141.06992	0.5
142.07791	0.5
143.08516	4.2
144.09325	0.4
145.06496	1.0
145.08946	0.5
145.10103	8.6
147.08034	5.0
147.11658	6.8
148.08806	0.3
149.09599	2.5
149.13235	6.0
151.11177	0.8
153.09079	1.1
153.12692	0.6
155.08551	0.7
157.10120	2.8
159.08066	1.0
159.11653	4.5
161.09621	2.8
161.13199	3.2
162.10333	0.9
163.11180	1.4
163.14806	2.0
165.09128	1.4
165.12732	0.7
169.10088	0.7
169.12238	0.9
171.10245	0.7
171.11723	1.5
173.09648	0.5
173.11809	0.6
173.13220	3.4
175.09879	0.4
175.11136	1.9
175.14812	1.3
177.12799	1.5
177.16345	0.5
179.10661	0.6
179.14320	0.3
181.10185	0.4
183.11742	0.6
184.07312	34.1
185.09579	0.5
185.13249	0.7
187.11157	0.5
187.13354	0.3
187.14813	1.4
189.11186	3.3
189.12689	0.5
191.14279	0.5
193.12265	1.0
195.11823	0.4
195.13832	1.6
197.13295	0.4
199.11192	0.4
199.14743	0.7
201.12689	0.4
201.16382	0.7
203.14337	0.3
205.12245	1.7
205.15720	0.4
211.13158	0.7
217.15868	0.7
219.13982	0.4
223.13251	17.3
224.13721	0.5
225.16486	0.3
227.12689	3.9
227.17918	0.6
231.17474	0.5
233.15309	0.5
233.22676	0.4
235.16866	0.4
237.16476	0.4
243.21092	3.2
245.19025	1.6
247.17174	0.4
249.14769	2.3
253.14397	1.1
255.17508	1.2
259.20618	0.6
261.22098	8.6
263.19971	0.8
267.15829	0.9
273.18436	13.6
275.20184	0.8
285.16891	0.5
291.19492	97.1
292.19751	2.7
297.17178	0.4
299.23752	0.4
309.20590	0.7
317.24652	2.8
333.24289	0.6
335.25745	100.0
336.26053	3.4
347.22034	2.9
365.23169	55.4
366.23599	2.3
505.34836	0.7
513.35565	0.6
522.26398	0.3
527.37195	1.1
545.38269	4.4
557.38342	0.6
607.43671	2.6
625.44525	99.0
626.44800	8.2
643.45251	0.9
689.42914	0.4
704.48175	1.0
772.54651	0.7
822.41772	0.6
822.57733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.1
65.03913	3.6
67.05495	36.0
69.07051	8.1
69.65205	28.7
73.11575	3.5
76.12856	3.8
76.35310	3.7
79.05468	17.7
81.07044	36.4
83.08611	5.0
85.02896	6.3
86.09685	4.1
91.05453	12.2
93.07021	25.3
95.08599	28.1
96.08939	4.1
105.07011	8.0
107.08577	10.4
109.10155	13.8
117.06993	5.9
118.07268	3.8
119.08543	4.9
120.08881	4.1
121.10133	13.3
123.11716	4.3
131.08527	6.0
133.10046	4.7
135.11664	8.6
145.10103	6.9
147.11674	6.7
149.13194	4.2
159.11719	6.4
161.13297	4.4
161.67206	3.5
163.14838	4.7
173.13266	6.3
184.07332	7.3
243.21146	6.9
259.20554	8.3
261.22235	18.8
333.24081	6.3
335.25735	100.0
336.26193	17.4
337.26773	10.3
413.66620	3.8
517.57648	4.5
595.46942	14.8
598.91248	4.5
613.48267	10.9
728.18896	4.4
731.29926	4.6
825.29950	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	822.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03173	1.0
57.03429	9.1
57.07054	2.7
61.02909	2.1
65.03935	4.2
67.05496	80.5
68.59987	0.6
69.03410	4.3
69.07058	23.0
71.01109	2.1
71.04977	5.1
79.05482	52.8
81.03409	5.3
81.07044	81.9
83.04966	18.8
83.08598	8.1
85.02885	2.0
85.06528	6.4
86.09684	2.6
88.64235	0.8
91.05468	56.8
92.05784	1.0
93.07031	60.1
95.04955	13.6
95.08593	42.4
96.08895	0.8
97.02868	2.4
97.06511	6.2
97.10152	3.0
99.04436	2.0
99.08076	1.5
103.05441	1.2
105.04514	1.0
105.07015	50.7
107.04926	6.1
107.08581	44.2
109.02892	0.7
109.06516	9.5
109.10141	54.0
111.08054	3.2
113.05983	1.7
115.05385	1.5
117.06992	9.6
119.04841	0.8
119.06098	0.7
119.08568	16.9
121.06486	6.4
121.10120	18.4
123.08045	3.0
123.11682	12.3
125.00005	1.0
125.06046	0.9
125.09644	2.5
127.07528	2.2
128.06187	1.8
129.07019	4.5
130.07770	1.1
131.08546	18.0
133.06512	3.4
133.10109	62.5
135.08005	6.9
135.11670	13.3
137.05952	0.9
137.09583	2.7
137.13260	1.6
139.07567	1.0
143.08553	4.9
145.06456	1.2
145.10097	10.4
147.08044	2.7
147.11659	6.7
149.09583	5.6
149.13254	5.8
151.11160	26.2
155.08575	0.9
157.08870	0.7
157.10135	3.1
159.08038	1.2
159.11673	7.7
161.09610	5.4
161.13245	5.2
163.11176	1.9
163.14783	2.2
169.10126	1.4
169.12195	4.5
171.11656	3.6
173.09615	0.9
173.13222	4.6
173.64792	0.7
175.11185	2.3
175.14774	1.1
177.09108	1.8
177.12701	0.9
179.10643	2.2
181.10149	0.8
184.07317	6.3
185.13245	1.6
185.88345	0.7
187.11217	0.8
187.14764	2.4
189.12698	1.6
191.10652	0.7
191.14276	0.7
195.11809	0.7
197.13264	1.1
199.14755	1.2
201.16316	1.0
207.13626	0.7
215.12779	3.1
227.17984	1.6
231.13936	0.8
241.19417	1.1
243.21092	3.5
245.19025	3.4
251.12781	1.5
253.14316	88.4
254.14766	2.4
255.17465	2.1
259.20566	2.8
261.22113	12.5
263.19943	3.9
269.13794	0.7
271.15298	1.8
273.18442	21.1
275.19702	1.1
283.15350	0.8
291.19528	23.5
292.19794	0.9
309.20560	2.2
315.23181	0.9
317.24786	1.7
333.24222	2.9
335.25757	100.0
336.26114	3.7
347.22079	8.8
365.23175	37.4
366.23590	1.3
417.29813	2.2
421.30920	1.1
439.31961	1.5
457.32816	1.8
513.35858	6.7
529.34576	3.5
531.36713	35.5
532.36682	1.9
543.40271	1.5
567.40131	0.9
577.52417	0.8
607.43591	7.7
611.46326	2.4
625.44550	73.0
626.44824	4.7
643.45490	0.8
823.41827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	11.6
57.07059	1.6
60.08144	2.2
62.83922	0.7
63.56068	0.7
65.03938	1.6
67.05496	29.0
68.85863	0.7
69.03400	1.2
69.07056	6.6
71.04976	1.5
71.07367	0.9
71.82736	1.2
79.05484	19.2
81.03383	0.8
81.07043	25.5
83.04971	10.9
83.08617	3.7
85.06529	1.7
86.09689	5.8
91.05460	13.4
93.07037	20.6
95.04942	4.1
95.08598	19.3
97.06522	1.5
97.10149	1.5
99.04453	1.2
105.07013	12.9
107.04942	15.0
107.08584	9.8
108.05727	1.2
109.06513	6.3
109.10153	7.7
111.04425	7.0
113.05979	1.0
117.07019	5.8
119.08564	7.6
121.06469	2.1
121.10139	8.1
123.04395	1.1
123.08044	1.8
123.11715	2.2
124.99950	4.4
125.05973	1.3
125.09692	0.7
129.07002	2.1
131.08556	7.4
133.06473	3.1
133.10124	5.3
135.08020	5.0
135.11693	5.1
137.09593	1.0
141.06924	1.0
143.08554	3.2
145.06416	1.8
145.10129	6.0
147.08040	3.5
147.11679	2.2
149.05939	1.3
149.09589	1.1
149.13303	1.1
151.07545	1.3
155.08530	1.6
157.10132	2.0
159.07970	3.9
159.11668	3.2
161.09622	3.1
161.13240	2.2
163.07509	1.8
163.11214	1.4
163.14795	0.8
169.10149	2.1
171.11700	1.3
173.09645	2.0
173.13260	1.7
173.35765	0.7
177.12781	2.4
184.07317	28.6
186.09206	0.8
187.11205	1.1
187.14920	1.5
189.12694	1.2
197.13281	1.2
199.11180	1.1
205.15883	2.7
215.14305	1.6
233.15311	5.3
243.17464	2.5
261.18475	4.6
271.16882	3.5
276.34845	0.8
289.17941	18.3
290.18527	0.7
333.24292	1.0
335.25769	59.4
336.26016	1.0
345.55551	0.9
363.21631	19.2
414.30017	0.8
559.79211	0.8
623.42993	100.0
624.43286	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	820.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	7.5
57.07062	1.6
59.05002	1.4
65.03915	4.0
67.05495	55.6
69.03423	6.4
69.07053	17.6
71.04979	2.7
71.82487	2.0
79.05479	50.3
81.03387	2.0
81.07043	50.5
83.04958	4.1
83.08606	27.9
85.06525	1.8
86.09685	2.9
91.05463	44.4
91.50874	1.1
93.07029	39.6
95.04961	6.7
95.08591	28.9
97.06512	4.1
97.10152	58.8
103.05460	3.0
105.07041	12.7
107.04916	1.5
107.08577	40.2
109.06501	3.4
109.10143	19.7
111.08064	3.6
115.05430	4.3
117.06992	27.7
119.08562	63.1
121.06489	3.5
121.10118	16.1
123.08005	2.5
123.11694	3.0
124.99948	3.7
125.09614	53.4
128.06223	1.8
129.07018	3.2
131.08533	11.2
131.25954	1.2
133.06471	1.6
133.10106	7.5
135.08037	10.9
135.11650	11.2
141.06984	1.4
141.41818	1.1
143.08559	8.9
143.10640	2.5
145.06464	23.0
145.10094	7.4
147.08014	3.8
147.11665	3.9
149.13202	6.5
153.09087	3.6
155.08530	2.1
157.10074	6.4
159.08017	9.5
159.11684	6.6
161.09598	3.0
161.13251	1.7
163.07503	2.8
163.14771	1.8
169.10043	1.9
171.10213	2.2
173.09616	4.0
173.13261	4.2
176.57520	1.1
181.10011	1.6
184.07323	14.4
187.14777	2.3
189.11180	36.6
189.12830	2.8
227.12743	74.4
243.17375	4.1
243.21088	4.8
245.13887	3.3
253.15863	1.9
261.22107	22.2
271.16901	53.2
272.79669	1.2
283.06445	2.0
289.17935	16.6
301.81027	1.4
315.23697	1.6
317.24774	3.6
335.21759	2.9
335.25763	57.3
345.20526	16.1
363.21573	26.3
379.96878	1.3
431.31473	1.7
487.33942	7.3
492.83032	1.4
501.96152	1.4
505.35190	46.1
530.69482	1.2
605.41895	39.2
606.41425	1.3
623.42969	100.0
624.43304	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	820.519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.5
57.07066	1.5
59.04974	2.1
61.02948	1.0
65.03912	2.4
67.05495	42.8
69.03419	6.1
69.07059	13.5
71.04980	1.8
71.82314	1.4
75.47623	1.0
79.05479	35.5
81.03377	1.4
81.07039	39.7
83.04958	4.6
83.08603	25.6
85.06512	1.7
85.34830	1.2
86.09688	2.4
86.68232	1.0
91.05466	37.3
93.07029	30.0
95.04946	4.3
95.08588	17.4
97.06564	1.5
97.10149	54.0
100.11217	1.6
105.06539	0.9
105.07034	10.3
107.04960	2.7
107.08574	35.1
109.06475	2.7
109.10144	12.2
111.08060	3.1
115.05442	3.5
117.06988	23.1
119.08561	58.3
121.06483	2.5
121.10137	9.1
123.08065	1.1
123.11726	2.0
125.00000	2.3
125.09608	46.0
128.06223	1.7
129.06978	3.8
131.08536	10.4
133.06425	1.8
133.10106	4.7
135.08040	11.7
135.11653	6.0
142.27950	1.3
143.08551	7.4
143.10675	2.8
145.06462	23.7
145.10066	7.8
147.08015	4.4
147.11661	2.9
149.13237	3.3
153.09090	4.5
155.08543	2.5
157.10080	3.6
159.08018	9.0
159.11661	5.6
161.09535	2.2
161.13292	1.7
163.07536	2.2
163.14804	2.6
165.40013	1.3
169.10077	2.2
171.08028	1.4
171.10165	2.9
171.11635	1.5
173.09581	2.7
173.13226	2.3
175.14842	1.7
183.11624	1.2
184.07285	13.4
189.11188	37.0
211.11008	1.4
211.14833	1.2
215.18071	1.2
225.16406	1.5
227.12746	100.0
243.17491	4.0
243.21004	2.8
253.15747	2.6
261.22073	14.2
271.16888	57.9
289.17886	15.5
313.89075	1.2
317.24722	1.7
327.19559	1.6
335.25748	30.1
345.20590	13.8
363.21625	22.6
428.00095	1.1
431.31390	1.3
487.34073	6.8
493.00299	1.4
505.35303	13.2
605.41943	26.6
623.42987	56.5
624.42975	2.7
763.83838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	8.3
57.07051	2.5
67.05180	4.2
67.05495	56.8
69.07055	12.6
71.48102	2.9
71.48428	3.3
74.09653	2.3
79.05474	33.9
80.06676	2.8
81.07039	59.7
83.08595	6.3
86.09672	4.4
91.05452	24.9
93.07027	40.3
95.04947	3.3
95.08589	47.4
97.10139	3.5
105.07026	16.4
107.08566	21.5
109.10162	19.8
117.06988	7.9
119.08558	14.8
121.10117	17.3
123.11670	6.1
124.99917	2.8
127.04015	2.7
131.08519	13.3
133.10098	9.4
135.11652	12.9
145.10072	5.4
147.11641	9.5
149.13205	7.2
152.94612	2.9
157.10133	2.8
158.85205	2.6
159.11629	8.0
161.13210	7.9
163.14792	3.4
173.13226	9.6
175.14815	3.3
184.07323	17.5
187.14864	3.6
187.75508	2.4
241.19530	3.8
243.06589	3.0
243.21123	6.3
259.20609	6.9
261.21988	19.2
333.24200	6.9
335.25739	100.0
337.27347	12.4
521.42615	3.4
595.47156	17.4
613.47845	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	4.1
57.07051	0.8
57.38309	0.6
58.19756	0.7
63.14326	0.6
63.47604	0.6
65.03926	1.7
67.05497	16.4
69.03371	3.9
69.07061	4.0
71.04960	1.9
71.07581	0.7
71.07895	0.7
77.03925	0.9
79.05481	15.2
81.03404	26.7
81.07041	15.0
83.04966	8.7
83.08611	6.6
85.02880	3.4
85.06522	0.8
91.05458	17.5
93.03371	1.1
93.07027	8.5
95.04948	16.6
95.08585	8.6
97.02863	1.8
97.06491	1.9
97.10144	4.0
100.35522	0.8
103.05429	1.8
103.64141	0.7
105.03326	0.8
105.07014	11.8
107.04939	10.7
107.08569	6.2
109.02832	1.6
109.06505	24.2
109.10110	2.8
111.04427	3.5
111.08058	2.7
115.05389	4.1
117.03326	0.7
117.07010	4.2
119.08549	8.0
121.02865	4.6
121.06483	7.1
121.10088	3.2
123.04438	3.2
123.08036	3.6
125.02388	0.9
125.05872	0.8
125.09596	2.3
127.03878	1.2
128.06253	1.0
129.05458	1.0
129.06969	5.5
131.04884	2.0
131.08536	8.0
133.06435	3.2
133.10118	5.2
135.04387	1.4
135.08029	10.4
135.11650	1.4
137.09578	1.2
137.87407	0.6
139.03885	2.1
141.06953	2.8
142.07739	0.9
143.04887	1.8
143.08507	1.6
145.06465	2.2
145.10054	3.8
147.04387	2.6
147.08028	3.0
147.11652	4.0
149.05928	1.7
149.09599	3.0
151.03937	0.7
153.06972	4.7
153.09184	0.7
155.04883	1.3
155.08533	1.7
157.05147	0.7
157.06491	2.7
157.10118	4.9
159.08046	1.2
159.11653	0.7
161.05971	10.7
163.03908	6.5
163.11165	3.3
165.05469	1.0
165.06926	1.5
165.12712	1.0
167.08530	1.7
168.37550	0.7
169.06441	2.7
171.04430	0.8
171.08031	1.8
173.05957	60.0
173.09543	1.6
173.13184	0.9
174.06396	1.5
175.03876	1.2
175.07516	2.1
175.11118	4.0
177.05487	1.9
179.08521	1.2
181.06462	6.8
182.99434	0.7
183.08078	2.2
184.05072	0.7
185.05991	4.3
187.03920	2.2
187.07507	9.6
187.09074	1.1
189.05505	5.9
191.08553	0.8
191.14256	5.9
193.06445	1.4
193.12201	11.0
195.07991	3.6
197.05928	7.2
198.06735	1.6
199.03859	3.1
199.07515	19.2
200.04683	0.8
201.05426	24.4
201.09087	1.5
202.07576	0.8
203.06955	1.2
207.07961	2.0
209.05998	1.3
209.09665	1.1
210.06737	1.3
211.07552	8.7
211.11441	1.0
211.13275	7.8
212.08093	0.8
213.05466	10.1
213.09041	8.8
215.03391	0.9
215.06975	3.1
217.04924	100.0
218.05258	0.9
219.08070	0.8
219.11638	1.7
219.13771	26.3
221.09679	0.9
223.07530	4.7
223.13214	0.8
224.08189	1.2
225.05450	8.5
225.09042	3.1
226.06276	1.6
227.03490	1.2
227.06979	8.5
227.10605	1.6
229.04997	5.0
229.08531	0.8
231.06416	1.1
235.07463	1.7
237.05466	1.0
237.09084	2.9
238.06360	0.8
239.07072	3.9
239.10556	1.4
241.04924	3.0
241.08571	3.0
241.12234	1.8
243.06432	2.7
247.07442	0.9
249.09077	1.9
249.12573	1.0
251.07014	2.0
251.10645	1.7
253.08537	1.2
255.13760	2.0
263.06891	1.1
263.12720	1.6
265.08667	1.5
265.12158	4.0
267.10144	0.9
267.13611	2.6
267.16068	9.4
273.12445	1.4
275.10556	1.5
277.08539	0.7
281.15311	1.2
283.13260	2.9
285.14627	1.6
285.17307	0.9
291.10580	0.8
291.13763	2.6
293.11612	2.3
293.17371	2.4
295.13245	1.3
299.16434	1.0
309.14725	3.4
311.12729	22.1
311.16183	0.9
313.14233	4.4
319.13181	2.3
323.16339	0.9
327.15857	5.2
329.13782	57.8
337.14200	12.1
347.14771	3.2
355.15326	17.5
367.17538	0.7
373.16522	4.9
377.17773	0.8
385.16400	47.8
386.16852	1.5
403.17459	4.6
411.18036	9.7
429.19125	9.3
439.17529	0.9
447.19888	1.1
448.88211	0.8
449.15552	1.0
449.53433	0.7
485.17911	3.7
501.26370	1.6
511.25369	1.3
519.27289	1.0
529.19434	1.5
529.26978	3.6
547.27307	3.7
559.21387	1.7
565.27625	1.9
575.30011	1.0
577.28351	1.6
585.22095	0.9
593.31165	3.3
595.28778	3.7
603.30359	9.3
621.30505	30.7
639.31250	5.7
751.33203	1.2
769.34247	4.8
777.34210	0.9
795.35931	4.6
813.36682	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	813.316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.1
57.07066	0.6
61.02908	1.2
65.03926	0.9
67.05491	3.2
69.03415	15.8
69.07045	1.7
71.04965	2.9
71.13161	1.2
71.13535	0.9
71.56947	0.4
73.02895	5.7
79.05477	6.9
81.03402	16.0
81.07040	8.2
83.04960	5.7
83.08586	0.9
85.02888	28.5
87.04411	0.9
91.05463	7.1
93.07038	4.2
95.04942	2.0
95.08586	2.2
97.02871	17.8
99.04434	25.8
103.03926	17.7
105.03365	0.7
105.06995	7.8
107.04918	5.7
107.08569	24.8
109.02857	35.6
109.06506	3.7
109.10132	5.1
110.03674	0.7
111.04412	0.8
111.08115	0.6
115.03903	1.5
115.05447	1.4
117.06995	2.0
119.04922	0.9
119.08566	3.4
121.02879	0.8
121.06460	2.7
121.10119	11.6
122.07262	4.6
123.04399	0.9
123.08017	1.7
125.02311	0.8
127.03889	77.0
128.04253	0.8
131.08527	3.2
133.10101	100.0
134.10449	0.5
135.08020	10.4
135.11661	1.2
137.02316	1.1
137.09586	54.3
145.04929	21.3
145.10078	1.6
147.04373	1.4
147.11731	2.9
149.09598	1.8
149.13219	10.1
151.03893	1.5
151.11130	1.6
157.04907	0.8
158.10852	1.8
161.05934	0.8
163.03842	1.2
163.06006	5.4
163.07358	0.9
163.14796	2.4
165.09114	2.9
169.04915	2.4
173.04430	0.7
173.13245	7.4
177.05443	1.0
187.05986	10.4
189.05478	0.7
191.14270	91.1
192.14626	1.2
193.04941	1.0
199.05965	0.7
205.06952	2.8
207.06367	0.8
209.08054	2.4
209.13315	0.8
209.15315	13.4
211.05975	1.2
227.09096	0.6
229.07034	2.0
235.05913	2.8
247.08162	0.9
253.07036	8.6
265.12051	0.8
266.12402	0.5
271.08087	16.9
289.09109	9.7
307.10068	1.8
313.09186	0.8
349.11172	1.3
379.10159	1.8
397.11328	5.7
415.12250	12.1
433.13297	7.5
451.14572	3.1
479.22711	0.9
605.25604	1.0
717.15369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	26.1
57.07071	3.9
61.02921	3.4
62.03196	1.4
65.03934	3.9
67.05494	94.1
69.03416	3.2
69.07054	23.3
69.51740	15.3
71.04973	5.2
71.08627	3.4
78.06243	1.4
79.05481	71.2
81.03387	2.6
81.07041	98.1
83.04958	3.8
83.08612	13.1
85.02896	4.8
85.06531	4.9
91.05463	57.6
93.07029	86.6
95.04963	10.2
95.08590	74.9
97.02869	1.9
97.06510	7.6
97.10162	5.2
99.08076	4.3
103.05501	2.1
105.07014	48.9
105.07709	2.8
107.08574	50.7
109.06500	4.3
109.10145	26.8
111.08081	2.7
113.09601	1.4
117.07002	16.0
119.08566	39.1
121.10119	34.7
123.08060	3.5
123.11669	6.9
125.09616	1.5
128.06227	1.4
129.07034	8.5
131.08546	25.7
133.06424	1.5
133.10109	33.5
135.08072	1.2
135.11673	26.2
137.09628	3.5
137.13249	1.4
142.07719	1.2
143.08522	8.0
145.10104	23.0
145.11180	1.7
147.11667	20.3
149.09604	2.3
149.13225	9.5
151.11153	2.1
157.10120	6.7
159.11664	15.2
161.13229	12.9
163.11179	2.7
163.14816	4.0
167.10690	1.7
169.10081	1.9
171.11613	8.8
173.13190	9.4
175.14824	5.3
177.12752	2.5
177.16425	2.3
179.14305	7.5
183.11815	1.9
184.07281	5.0
185.13191	6.5
187.14798	9.9
199.14786	3.9
201.16408	3.4
205.15854	4.7
213.16377	2.4
219.17368	2.0
221.19014	2.0
231.21022	1.7
241.19647	6.7
243.21088	3.4
257.18954	2.2
259.20554	20.8
261.22076	6.6
277.21594	19.9
293.21323	1.7
315.23141	2.0
333.24246	16.4
335.25751	100.0
336.26138	3.0
337.27173	1.8
351.25284	33.2
405.51529	1.4
449.82361	1.5
489.35651	1.6
529.38867	3.8
581.15503	1.7
593.45667	2.8
611.46558	48.4
667.51727	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	19.5
57.07057	6.6
58.78502	1.7
60.15554	1.8
61.02869	1.5
65.03922	4.8
67.05492	94.6
68.66406	1.6
69.03428	2.3
69.07053	30.8
71.01382	5.0
71.04987	3.9
71.08603	2.2
73.02897	2.1
77.03921	2.0
79.05479	86.8
81.03381	1.8
81.07041	96.9
82.07356	1.9
83.04960	3.4
83.08607	12.6
85.02889	3.1
85.06517	4.1
91.05466	82.9
93.07026	100.0
95.04948	10.5
95.08592	75.1
97.02882	3.8
97.06506	6.4
97.10148	4.6
105.07016	82.9
105.37498	1.8
107.08571	50.1
109.06521	3.5
109.10136	27.4
111.08032	4.5
113.09647	2.2
117.06986	30.1
119.08560	75.9
121.06451	2.8
121.10121	40.8
123.08044	4.1
123.11679	10.1
125.09628	3.9
128.06212	2.8
129.06964	16.0
131.08534	39.8
133.10107	56.8
135.08014	2.4
135.11665	30.2
137.09584	3.0
137.13278	2.6
142.07785	1.9
143.08562	11.8
144.09277	2.0
145.10106	34.8
147.11659	45.0
147.54050	1.7
149.09540	3.1
149.13249	15.1
151.11163	2.1
155.08568	3.6
157.10130	13.2
159.11661	26.3
161.13232	33.2
163.11127	2.7
163.14778	6.6
169.10054	3.8
171.11665	16.7
173.09622	2.0
173.13242	19.9
175.14790	12.2
177.16405	2.6
183.11699	4.2
184.07269	1.9
185.13220	14.9
187.14824	8.1
189.16393	3.8
197.13168	2.4
199.14760	8.2
201.16316	2.9
203.14439	2.6
211.14877	1.7
213.16444	4.0
215.17834	3.7
217.15993	1.9
217.19556	1.8
219.75722	1.7
231.21082	6.0
239.17986	3.3
241.19487	22.4
243.21004	4.7
257.18948	7.4
259.20529	71.4
261.22202	12.6
273.22046	2.2
297.22055	2.9
313.25177	2.8
315.23059	4.2
317.90329	2.0
331.22647	3.1
333.24191	48.8
333.28030	3.4
335.25754	77.0
336.25803	3.1
337.27420	4.4
384.74597	1.8
408.68646	1.7
477.36285	1.9
519.41705	5.2
593.45844	13.0
611.46588	63.8
612.46521	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	807.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.6
57.07063	4.6
61.02889	0.3
67.01844	0.2
67.05489	3.2
67.20585	0.2
68.99744	0.9
69.03374	1.1
69.07056	2.6
69.46330	0.4
69.46735	2.4
71.04980	15.0
71.08614	5.7
73.02874	0.6
75.04434	0.9
77.71736	0.2
79.05443	1.2
79.37518	0.2
81.03355	1.0
81.06605	0.4
81.07037	4.7
83.04980	1.4
83.08566	0.8
85.02889	18.3
85.10170	2.5
86.03241	0.4
87.04449	0.4
91.05437	0.8
92.14523	0.2
93.06993	0.8
95.04905	0.8
95.08588	5.2
97.02883	1.2
99.04433	0.4
105.03342	0.8
105.06966	0.7
106.07311	0.3
107.04887	0.7
107.08570	0.5
109.02815	0.5
109.10122	0.6
109.79639	0.2
111.00802	1.8
111.04366	0.7
111.08028	0.2
115.05453	0.4
117.06934	0.3
119.08565	0.5
121.02778	0.9
123.04413	0.4
127.03832	0.6
129.05461	4.5
129.06885	0.3
133.06407	0.3
133.10034	0.4
137.02260	0.8
137.13194	0.4
137.17522	0.2
139.03857	0.5
143.04845	0.4
145.02808	0.3
147.04356	1.1
147.06430	0.9
150.36656	0.2
153.01794	15.3
155.14276	1.8
157.02727	0.3
159.04326	0.3
161.02303	1.2
161.05902	0.6
163.03833	1.0
165.01871	1.2
169.06415	0.3
171.02834	0.3
173.02309	1.0
173.05885	0.8
175.03830	1.1
181.01245	0.3
181.06464	0.3
183.02780	0.6
183.04350	0.4
184.07167	0.3
185.05904	0.5
187.03867	1.6
189.05348	0.7
191.03323	0.5
192.14139	0.3
193.12152	0.3
195.08115	0.3
197.05907	0.5
199.03764	0.3
201.05391	0.6
203.03346	1.2
211.13274	0.5
213.05396	0.7
215.03325	1.1
217.04892	1.3
219.02747	0.5
225.05394	0.9
229.04912	0.6
237.05348	0.7
242.05717	0.4
243.02858	1.2
243.06447	0.4
253.04929	5.1
257.04379	0.5
265.04922	1.4
269.04520	0.6
270.05133	0.6
271.05936	1.3
281.04391	13.7
281.15207	0.3
282.04831	1.1
285.03888	2.9
293.04358	0.6
295.05942	0.5
297.03979	1.2
298.04681	8.2
299.05426	8.2
300.05786	0.3
309.03903	4.4
311.05444	7.1
312.05795	0.4
313.03391	2.2
315.04944	0.9
322.04355	0.3
323.05386	1.5
326.04135	0.6
327.04929	100.0
328.05264	4.0
334.19556	0.3
337.03217	0.5
337.06995	0.4
339.05026	0.8
340.05789	0.3
341.06393	0.5
343.04440	1.3
345.06012	4.6
353.06757	0.3
369.06177	1.2
373.14688	0.3
393.05627	0.3
423.16040	0.3
425.19611	0.3
435.17978	0.6
453.19043	5.6
463.17554	3.0
481.18512	64.1
482.18893	4.3
499.19568	27.8
500.19925	1.7
523.19470	0.4
643.23920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.5
57.07066	4.7
61.02889	0.4
65.03870	0.4
67.05501	2.9
68.99741	1.1
69.03379	1.2
69.07053	2.5
71.04980	14.9
71.08620	6.2
71.79086	0.4
73.02884	0.7
75.04436	0.8
79.05444	1.1
81.03375	1.0
81.07045	5.2
83.04933	1.2
83.08566	0.9
85.02892	16.0
85.10173	3.1
87.04414	0.5
91.05440	1.1
93.06978	0.9
95.04917	0.6
95.08096	0.4
95.08591	4.6
97.02840	1.1
97.06481	0.5
104.50045	0.3
105.03354	1.6
105.06980	0.8
107.04882	0.5
109.02788	0.3
109.10123	0.5
110.13005	0.3
111.00790	2.1
111.04377	0.6
116.99048	0.3
117.06990	0.4
119.04842	0.3
119.08527	0.3
121.02840	0.8
123.04400	0.6
127.03865	0.8
129.05449	3.8
131.08542	0.5
137.02328	0.8
138.09239	0.3
139.03844	0.7
143.04840	0.4
145.06409	0.3
147.04356	1.3
147.06448	1.1
149.05936	0.4
151.03879	0.4
153.01799	13.5
154.02069	0.4
155.14294	1.6
157.06444	0.5
161.02313	1.0
161.05968	0.5
163.03857	1.3
165.01796	1.1
165.40791	0.3
169.06410	0.4
173.02336	0.8
173.06003	0.4
175.03778	0.9
177.05356	0.4
183.02885	0.5
184.07257	0.4
185.05965	0.4
187.03889	1.4
189.05432	0.7
191.03348	0.8
191.06998	0.3
197.05943	0.7
199.03844	0.5
201.05301	0.5
203.03343	1.3
211.03880	0.3
213.05434	0.5
215.03380	0.8
217.04913	0.9
219.02824	0.5
225.05431	0.8
229.04971	0.8
237.05429	0.9
241.04878	0.4
242.05525	0.4
243.02866	1.5
243.06436	0.5
245.04440	0.3
253.04895	4.0
257.04355	0.5
265.04916	1.3
269.04388	0.8
270.05200	1.0
271.05972	1.1
281.04416	13.3
282.04956	0.8
283.06018	0.5
285.03909	2.4
285.16885	0.3
287.05353	0.4
293.04376	0.5
295.05844	0.8
297.04065	2.0
298.04678	8.6
299.05450	7.8
300.05481	0.4
309.03909	5.0
310.04578	0.3
311.05487	7.4
313.03494	1.7
315.05121	1.6
323.05347	1.3
326.04068	0.4
327.04938	100.0
328.05270	4.3
339.04938	1.0
341.06586	0.4
343.04346	0.7
345.05972	4.3
369.06042	1.0
429.01282	0.3
435.18207	0.6
438.17636	0.3
453.18964	5.1
463.17581	2.8
464.17679	0.4
481.18521	60.2
482.18814	4.4
499.19550	27.0
499.27216	0.6
500.20084	1.5
541.20978	0.4
603.22662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05814	0.4
57.03422	3.7
57.07069	3.2
59.04980	0.5
61.02900	0.5
65.03910	0.4
67.01814	0.6
67.05495	10.6
68.05806	0.8
68.27882	0.4
68.99774	1.7
69.03428	2.3
69.07060	5.4
71.01315	0.5
71.04980	12.0
71.08620	2.1
71.81092	0.5
73.02885	0.7
75.04442	0.5
79.05484	6.5
80.05770	0.7
80.65071	0.3
81.03407	8.6
81.07043	10.7
82.03690	1.1
82.07341	0.9
83.04962	3.6
83.08608	4.8
85.02889	14.7
85.06520	0.9
85.10130	0.9
86.03194	0.5
87.04447	0.6
91.05470	6.2
92.05754	1.0
93.07032	6.9
94.07337	0.8
95.04949	4.4
95.08595	6.0
96.05252	0.3
96.08881	0.4
97.02830	1.5
97.06528	2.4
97.10110	0.7
99.04388	0.4
99.08012	0.4
103.05412	0.4
105.03322	0.4
105.06438	0.4
105.07014	5.4
106.07320	0.6
106.36976	0.3
107.04887	1.4
107.08576	3.5
107.66669	0.3
108.08872	0.6
109.02883	0.3
109.06474	1.0
109.10145	2.6
111.00790	2.5
111.04401	0.7
111.08083	1.9
115.05405	0.7
117.06972	1.2
119.04900	0.6
119.07853	0.3
119.08574	4.3
120.08820	0.5
121.06451	0.9
121.10143	2.4
123.04416	0.6
123.08007	0.5
123.11665	0.7
125.09577	0.7
127.03880	0.9
129.05461	2.6
129.06944	1.3
130.07338	0.4
131.04892	0.3
131.08549	3.1
132.08839	0.4
133.06439	0.6
133.10094	3.2
135.04294	0.3
135.08011	0.6
135.11649	0.8
137.09581	0.6
139.03880	1.0
141.06871	0.6
142.07745	0.7
145.06404	0.5
145.10052	1.5
147.04375	1.4
147.06436	0.7
147.07983	0.6
147.11638	2.7
149.06013	0.4
149.09578	1.7
149.13202	1.1
153.01802	42.7
153.12599	0.4
157.10127	2.5
158.10353	0.6
159.11621	1.5
161.05980	2.2
161.13173	0.4
162.42938	0.3
163.03923	0.8
163.11108	1.1
165.01802	1.5
165.12646	0.5
169.10051	0.5
171.02844	0.6
171.11661	0.6
173.05978	1.9
174.44113	0.3
175.03825	1.0
175.11142	1.4
176.04663	0.5
176.11423	0.5
177.05359	1.1
177.12798	0.4
181.06410	0.9
185.05983	0.6
187.03911	1.7
189.05441	7.7
190.05669	0.3
191.03287	0.6
193.12193	4.0
194.12563	1.3
195.02882	0.6
195.08049	0.4
195.13779	0.6
197.05933	1.0
199.07552	0.7
201.05478	1.7
203.03308	1.2
203.07259	0.3
207.02762	0.4
211.03967	0.5
211.07556	0.6
211.13234	4.5
212.13580	1.2
213.05400	1.1
215.03378	2.5
215.06810	0.4
217.04887	1.1
217.15762	0.5
219.02821	1.1
225.05400	0.9
227.07014	0.9
227.12712	0.7
229.04951	1.9
229.14291	1.1
230.14574	0.6
231.06570	0.4
235.07544	0.5
237.05505	0.6
239.03317	1.4
239.07039	0.8
241.04919	1.1
242.05745	0.5
243.02823	2.3
243.06526	0.9
253.02565	0.6
253.04942	5.0
255.06331	1.0
257.04446	2.9
257.19043	0.7
265.04791	0.4
267.06418	1.0
267.15878	3.7
268.16254	0.6
269.04346	0.5
269.17392	1.5
270.17963	0.4
271.05951	1.4
275.20029	2.2
276.20328	1.0
281.04395	5.4
282.05096	0.6
283.05841	0.5
285.03891	3.6
285.16925	4.8
286.17300	1.5
287.16467	0.7
288.17065	1.1
293.04645	0.6
295.05966	1.4
297.03879	2.4
298.04660	4.6
299.05469	6.7
299.16321	0.5
303.05048	0.6
309.03836	1.3
309.07294	0.5
310.04712	0.9
311.05447	17.0
311.16440	0.8
312.05859	0.8
313.03308	2.2
313.06616	0.5
315.05005	0.5
319.05927	1.3
323.05475	4.2
325.07025	0.9
327.04941	67.0
327.15540	1.7
328.05292	2.0
329.17276	0.9
337.06976	1.0
337.14377	1.3
339.04950	2.3
341.06482	2.1
345.05994	2.2
347.05463	1.1
348.05984	0.4
349.23645	1.8
350.23969	1.0
351.04816	0.9
355.15176	1.9
361.06995	0.6
365.06537	2.3
413.21649	0.6
414.22284	0.5
433.29797	0.4
435.18079	1.7
439.26706	2.5
440.27139	1.6
443.27859	0.5
444.28061	0.5
453.18982	10.6
461.28961	3.6
462.29147	3.0
463.17477	5.0
479.29932	9.6
479.36627	0.6
480.30408	6.5
481.18518	100.0
482.18927	5.2
495.20273	4.1
499.19495	3.7
513.20996	1.5
523.19232	0.6
541.35114	1.3
542.35413	1.5
559.36475	2.6
560.36951	2.6
591.38434	0.7
592.39203	1.2
606.34265	0.4
623.34277	1.9
624.34589	2.7
653.73267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	20.4
57.07053	5.3
59.04974	3.9
61.02904	5.3
65.03917	4.8
65.76363	1.3
67.05490	91.9
68.99797	1.8
69.03413	12.5
69.07055	33.1
69.62041	15.5
71.04656	1.8
71.04981	26.6
71.08604	4.3
73.02870	2.8
79.05007	3.1
79.05474	66.6
81.03400	80.1
81.07038	99.4
82.03680	1.9
82.07373	1.8
83.04967	27.4
83.08160	2.1
83.08607	36.1
84.04475	1.7
85.02890	41.4
85.06522	5.9
87.04431	2.0
89.07813	1.5
91.05460	74.6
93.07022	64.8
95.04948	40.9
95.08588	40.5
97.02864	8.6
97.06507	25.5
97.10162	10.9
98.20687	2.1
99.04453	2.0
99.08060	3.0
102.56094	1.4
103.05440	2.5
105.03358	5.4
105.07008	48.7
107.04929	17.2
107.07890	2.7
107.08573	37.7
109.06503	12.9
109.10134	31.7
111.00760	2.7
111.04410	6.5
111.08059	19.6
113.05994	3.3
115.05437	3.7
115.07533	2.4
117.06992	15.7
117.98406	1.6
119.04912	3.5
119.08554	41.1
119.36823	1.5
120.08115	1.4
121.02802	4.7
121.06490	8.9
121.10119	29.5
123.08027	5.2
123.11678	6.0
125.09579	8.0
127.03897	5.6
128.06186	2.5
129.05496	3.2
129.06961	20.4
131.04929	1.7
131.07643	1.7
131.08540	35.6
133.06425	4.8
133.10100	32.9
135.08009	4.7
135.11664	9.1
137.09604	7.1
142.07739	4.6
143.08516	6.1
145.06451	1.7
145.10072	16.3
147.04346	2.3
147.08020	6.5
147.11650	28.3
149.09599	15.6
149.13231	13.4
151.11183	3.0
152.37056	1.5
153.01796	41.5
155.08508	4.6
157.10086	22.8
159.08197	1.6
159.11646	13.7
159.57066	1.4
161.06029	2.6
161.09586	4.0
161.13223	3.4
163.11188	7.9
165.09105	1.6
165.12720	4.3
169.10101	3.6
171.11664	3.0
173.05913	1.7
173.09567	2.4
173.11717	4.9
173.13202	3.4
175.03911	2.5
175.11130	17.6
177.05339	1.8
177.12645	4.4
181.10127	1.6
181.12032	1.6
183.11684	2.9
185.13121	1.6
187.03827	2.7
189.05397	8.2
189.11115	3.7
193.12210	40.7
195.13722	2.2
197.13301	1.7
207.11986	1.6
211.13243	45.9
215.03313	2.9
227.12755	6.3
229.04871	2.3
229.14230	13.5
247.20523	2.0
253.04820	6.2
257.18991	6.3
267.15869	30.9
269.17407	11.4
271.05911	2.8
273.18463	2.2
275.16931	2.8
275.19968	22.5
281.04443	4.7
283.15366	1.6
285.04013	2.1
285.16925	44.4
293.20712	2.3
297.03873	1.8
298.04593	2.7
299.05365	5.5
303.04987	5.9
311.05304	15.4
323.05444	4.1
327.04932	71.4
345.06027	2.4
349.23621	15.3
365.06512	2.6
369.24301	1.7
381.26331	3.1
395.20493	2.1
413.21558	6.8
417.16919	1.5
421.25739	6.2
433.28918	1.7
435.26834	2.9
437.24829	2.1
439.20856	2.4
439.26804	31.6
443.27872	5.9
453.19162	8.3
461.28912	43.2
463.17337	6.6
474.28592	1.9
479.29968	100.0
480.30148	3.6
481.18506	79.2
485.28763	2.7
495.20139	8.7
499.19379	3.8
501.32437	2.3
503.29626	3.0
513.21130	4.7
519.33130	4.2
541.35156	19.6
559.36279	34.5
560.36151	1.8
577.36713	2.2
587.31720	1.9
591.39020	12.5
605.32611	5.8
623.34155	28.1
839.13629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	20.4
57.07053	5.3
59.04974	3.9
61.02904	5.3
65.03917	4.8
65.76363	1.3
67.05490	91.9
68.99797	1.8
69.03413	12.5
69.07055	33.1
69.62041	15.5
71.04656	1.8
71.04981	26.6
71.08604	4.3
73.02870	2.8
79.05007	3.1
79.05474	66.6
81.03400	80.1
81.07038	99.4
82.03680	1.9
82.07373	1.8
83.04967	27.4
83.08160	2.1
83.08607	36.1
84.04475	1.7
85.02890	41.4
85.06522	5.9
87.04431	2.0
89.07813	1.5
91.05460	74.6
93.07022	64.8
95.04948	40.9
95.08588	40.5
97.02864	8.6
97.06507	25.5
97.10162	10.9
98.20687	2.1
99.04453	2.0
99.08060	3.0
102.56094	1.4
103.05440	2.5
105.03358	5.4
105.07008	48.7
107.04929	17.2
107.07890	2.7
107.08573	37.7
109.06503	12.9
109.10134	31.7
111.00760	2.7
111.04410	6.5
111.08059	19.6
113.05994	3.3
115.05437	3.7
115.07533	2.4
117.06992	15.7
117.98406	1.6
119.04912	3.5
119.08554	41.1
119.36823	1.5
120.08115	1.4
121.02802	4.7
121.06490	8.9
121.10119	29.5
123.08027	5.2
123.11678	6.0
125.09579	8.0
127.03897	5.6
128.06186	2.5
129.05496	3.2
129.06961	20.4
131.04929	1.7
131.07643	1.7
131.08540	35.6
133.06425	4.8
133.10100	32.9
135.08009	4.7
135.11664	9.1
137.09604	7.1
142.07739	4.6
143.08516	6.1
145.06451	1.7
145.10072	16.3
147.04346	2.3
147.08020	6.5
147.11650	28.3
149.09599	15.6
149.13231	13.4
151.11183	3.0
152.37056	1.5
153.01796	41.5
155.08508	4.6
157.10086	22.8
159.08197	1.6
159.11646	13.7
159.57066	1.4
161.06029	2.6
161.09586	4.0
161.13223	3.4
163.11188	7.9
165.09105	1.6
165.12720	4.3
169.10101	3.6
171.11664	3.0
173.05913	1.7
173.09567	2.4
173.11717	4.9
173.13202	3.4
175.03911	2.5
175.11130	17.6
177.05339	1.8
177.12645	4.4
181.10127	1.6
181.12032	1.6
183.11684	2.9
185.13121	1.6
187.03827	2.7
189.05397	8.2
189.11115	3.7
193.12210	40.7
195.13722	2.2
197.13301	1.7
207.11986	1.6
211.13243	45.9
215.03313	2.9
227.12755	6.3
229.04871	2.3
229.14230	13.5
247.20523	2.0
253.04820	6.2
257.18991	6.3
267.15869	30.9
269.17407	11.4
271.05911	2.8
273.18463	2.2
275.16931	2.8
275.19968	22.5
281.04443	4.7
283.15366	1.6
285.04013	2.1
285.16925	44.4
293.20712	2.3
297.03873	1.8
298.04593	2.7
299.05365	5.5
303.04987	5.9
311.05304	15.4
323.05444	4.1
327.04932	71.4
345.06027	2.4
349.23621	15.3
365.06512	2.6
369.24301	1.7
381.26331	3.1
395.20493	2.1
413.21558	6.8
417.16919	1.5
421.25739	6.2
433.28918	1.7
435.26834	2.9
437.24829	2.1
439.20856	2.4
439.26804	31.6
443.27872	5.9
453.19162	8.3
461.28912	43.2
463.17337	6.6
474.28592	1.9
479.29968	100.0
480.30148	3.6
481.18506	79.2
485.28763	2.7
495.20139	8.7
499.19379	3.8
501.32437	2.3
503.29626	3.0
513.21130	4.7
519.33130	4.2
541.35156	19.6
559.36279	34.5
560.36151	1.8
577.36713	2.2
587.31720	1.9
591.39020	12.5
605.32611	5.8
623.34155	28.1
839.13629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	26.4
57.07063	2.5
59.04987	3.7
61.02913	4.9
65.03924	3.1
67.05492	100.0
69.03424	9.8
69.07059	18.4
70.27953	2.0
70.28242	6.6
71.01321	2.8
71.04986	9.9
72.41161	1.1
73.02885	2.1
77.03924	1.2
79.05001	2.2
79.05477	56.3
81.03402	90.1
81.07040	64.7
81.07528	2.6
82.04140	1.2
82.07385	1.8
83.01332	1.9
83.04961	27.4
83.08607	41.2
83.39541	1.1
85.02887	38.9
85.06522	5.7
87.04440	4.5
91.03931	2.5
91.05465	59.9
92.05785	2.1
93.07026	37.2
95.04948	39.0
95.08591	23.2
97.02871	9.4
97.06509	12.1
97.10147	20.0
99.08080	4.7
100.21687	1.3
105.03385	4.2
105.07012	34.2
106.07333	1.4
107.04932	13.4
107.08580	22.2
109.02849	1.8
109.06499	7.9
109.10138	66.5
111.04417	6.1
111.08061	16.1
113.05989	2.4
115.05426	2.4
117.06993	5.2
119.08566	33.8
120.08931	1.6
121.02872	2.9
121.06506	3.2
121.10125	14.2
123.04418	1.6
123.08027	6.2
123.11687	2.4
125.05973	1.4
125.09617	14.9
127.03838	2.1
128.06139	1.3
128.74985	1.3
129.05467	4.1
129.06966	15.6
130.13365	1.2
131.08540	18.0
132.08862	1.6
133.06432	3.3
133.10110	20.6
135.08014	3.2
135.11673	5.0
137.09613	8.5
142.07779	4.4
143.10632	2.2
145.06548	1.4
145.10097	9.7
147.08023	5.1
147.11662	20.8
149.09592	9.5
151.11153	1.8
153.12720	3.6
155.08495	1.4
155.10599	2.0
157.10101	19.8
158.10497	1.4
163.11172	12.1
165.12773	4.8
173.09534	2.1
173.10202	1.5
173.11716	21.5
175.11136	17.5
181.12206	3.3
189.11224	2.0
191.10645	5.2
193.12215	66.7
199.13326	6.7
207.08005	1.6
209.11684	6.6
211.13254	95.1
212.13565	2.1
217.14450	1.3
227.12703	7.9
229.14307	50.4
230.14423	1.4
249.14780	2.1
253.14316	1.5
257.13806	1.5
263.07022	2.9
265.08578	4.3
267.15869	31.5
269.17459	1.2
282.08820	1.7
283.15350	6.9
285.16919	74.5
286.17169	1.7
295.09540	2.0
297.11215	3.9
301.16455	12.1
399.23703	17.4
409.25662	4.0
421.25739	13.2
423.27200	1.4
427.26965	4.0
439.26849	48.5
440.26981	1.9
475.27042	2.2
477.28311	1.9
493.27731	3.8
494.28497	2.0
511.28973	11.5
529.29993	2.8
587.79388	1.3
591.35486	1.9
609.36182	43.7
610.36438	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	23.5
57.07060	1.8
60.08141	3.5
60.72830	1.7
65.03925	6.2
67.05492	83.1
69.03410	4.1
69.07058	12.7
71.04980	4.4
71.07367	1.7
71.82230	1.9
75.33594	1.7
79.05483	46.4
81.03397	3.7
81.07045	65.4
83.04972	4.4
83.08591	8.4
85.06529	11.6
86.09686	12.9
89.05996	3.3
91.05466	34.8
93.07029	44.6
95.04949	64.2
95.07991	2.4
95.08589	37.3
95.82597	2.0
97.06506	5.6
97.10130	3.2
105.07007	29.1
107.04925	8.2
107.08570	28.8
109.06494	61.6
109.10146	13.1
111.08051	4.7
111.24031	2.2
113.05989	26.3
117.07003	15.7
119.08554	16.9
121.06474	5.2
121.10149	10.6
123.08037	5.1
123.11674	3.5
124.99976	8.9
128.06215	2.4
129.06963	7.0
131.08537	21.5
133.06441	2.3
133.10117	10.9
134.89091	2.0
135.08034	49.7
135.11642	9.0
137.05913	2.2
137.09639	1.8
143.08525	8.2
145.10100	13.4
147.08009	6.8
147.11664	4.8
148.33969	1.8
149.09590	7.4
149.13217	3.3
157.10074	4.9
159.08051	2.6
159.11685	10.7
161.09575	9.8
161.13235	2.2
163.11145	5.4
169.10042	2.3
171.11624	6.8
173.13220	4.5
175.11169	3.4
177.12674	2.4
184.07321	40.6
185.07652	3.8
201.12633	2.6
211.55115	1.9
217.15715	9.1
233.15109	2.5
272.93372	1.9
273.18466	37.9
279.15695	1.8
291.19492	100.0
309.20364	2.5
335.25754	83.8
336.25882	2.6
347.22110	10.3
365.23148	21.3
499.18024	1.8
567.40283	3.7
607.43555	14.9
614.48462	6.5
625.44525	77.5
626.44153	5.5
655.41809	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	804.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	12.8
57.07044	1.7
59.04987	5.7
60.75114	1.1
60.86971	1.0
61.02908	3.4
67.05495	61.1
69.03403	4.5
69.07063	21.7
69.58415	2.2
69.58833	9.3
70.06575	1.2
71.01327	1.6
71.04984	16.1
73.02892	1.4
79.05483	45.3
81.03407	19.5
81.07046	52.0
83.01335	8.6
83.04968	13.5
83.08608	20.7
84.04501	1.2
85.02905	8.6
85.06530	4.7
90.72511	1.4
91.03941	2.0
91.05468	33.2
93.07030	50.3
95.04968	15.6
95.08588	23.6
97.02887	5.8
97.06509	18.6
97.10170	7.9
98.53362	1.2
99.04435	4.1
99.08102	2.4
105.03347	1.7
105.04491	1.9
105.07018	23.6
107.04951	12.5
107.07883	2.3
107.08575	30.7
109.02905	2.4
109.06505	12.0
109.10136	35.0
109.63576	1.1
111.04430	4.6
111.08077	7.9
113.05951	1.6
115.07550	2.3
117.06995	16.0
119.08559	21.7
121.06493	6.9
121.10132	16.7
123.08055	11.1
123.11652	1.7
125.05947	2.8
125.09615	8.1
127.03897	3.2
128.06245	1.1
129.05449	2.6
129.06978	4.8
130.07785	2.8
131.08537	14.2
133.06456	2.0
133.10112	10.8
135.08037	5.3
135.11671	18.3
137.09581	4.5
139.07527	1.9
141.06937	1.2
143.08531	4.6
145.06450	2.1
145.10107	25.7
147.08002	2.7
147.11661	5.2
149.09608	5.7
149.13266	8.2
151.11131	2.0
153.12721	3.7
155.08505	3.1
157.10155	2.5
159.08047	1.3
159.11679	9.3
161.09622	1.5
163.11168	27.0
165.09145	1.3
169.10019	1.4
171.11697	2.5
173.09581	4.2
173.11719	9.4
173.13098	1.9
175.11133	1.6
177.12689	2.7
181.12154	2.8
184.07375	2.3
185.13109	1.3
189.11206	4.5
191.10663	4.1
195.13766	3.1
195.56438	1.3
197.13243	1.4
209.11728	5.4
217.15926	1.3
227.12733	15.8
228.85236	1.2
229.14313	39.3
239.17802	1.5
257.18954	3.6
267.15799	2.3
269.17300	3.7
275.20041	16.7
283.15369	83.0
284.15680	1.5
289.17902	1.5
303.04889	7.9
307.22638	2.2
339.18091	2.2
347.22342	1.6
349.23676	14.9
413.21753	6.6
437.25305	62.1
438.25348	3.0
444.83838	1.2
453.25043	3.4
459.27179	7.1
477.28415	100.0
478.28885	5.8
501.28497	1.7
517.31378	2.9
539.33801	5.9
557.34760	33.0
575.35504	1.5
589.37122	9.9
621.32684	12.4
622.32458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	12.8
57.07044	1.7
59.04987	5.7
60.75114	1.1
60.86971	1.0
61.02908	3.4
67.05495	61.1
69.03403	4.5
69.07063	21.7
69.58415	2.2
69.58833	9.3
70.06575	1.2
71.01327	1.6
71.04984	16.1
73.02892	1.4
79.05483	45.3
81.03407	19.5
81.07046	52.0
83.01335	8.6
83.04968	13.5
83.08608	20.7
84.04501	1.2
85.02905	8.6
85.06530	4.7
90.72511	1.4
91.03941	2.0
91.05468	33.2
93.07030	50.3
95.04968	15.6
95.08588	23.6
97.02887	5.8
97.06509	18.6
97.10170	7.9
98.53362	1.2
99.04435	4.1
99.08102	2.4
105.03347	1.7
105.04491	1.9
105.07018	23.6
107.04951	12.5
107.07883	2.3
107.08575	30.7
109.02905	2.4
109.06505	12.0
109.10136	35.0
109.63576	1.1
111.04430	4.6
111.08077	7.9
113.05951	1.6
115.07550	2.3
117.06995	16.0
119.08559	21.7
121.06493	6.9
121.10132	16.7
123.08055	11.1
123.11652	1.7
125.05947	2.8
125.09615	8.1
127.03897	3.2
128.06245	1.1
129.05449	2.6
129.06978	4.8
130.07785	2.8
131.08537	14.2
133.06456	2.0
133.10112	10.8
135.08037	5.3
135.11671	18.3
137.09581	4.5
139.07527	1.9
141.06937	1.2
143.08531	4.6
145.06450	2.1
145.10107	25.7
147.08002	2.7
147.11661	5.2
149.09608	5.7
149.13266	8.2
151.11131	2.0
153.12721	3.7
155.08505	3.1
157.10155	2.5
159.08047	1.3
159.11679	9.3
161.09622	1.5
163.11168	27.0
165.09145	1.3
169.10019	1.4
171.11697	2.5
173.09581	4.2
173.11719	9.4
173.13098	1.9
175.11133	1.6
177.12689	2.7
181.12154	2.8
184.07375	2.3
185.13109	1.3
189.11206	4.5
191.10663	4.1
195.13766	3.1
195.56438	1.3
197.13243	1.4
209.11728	5.4
217.15926	1.3
227.12733	15.8
228.85236	1.2
229.14313	39.3
239.17802	1.5
257.18954	3.6
267.15799	2.3
269.17300	3.7
275.20041	16.7
283.15369	83.0
284.15680	1.5
289.17902	1.5
303.04889	7.9
307.22638	2.2
339.18091	2.2
347.22342	1.6
349.23676	14.9
413.21753	6.6
437.25305	62.1
438.25348	3.0
444.83838	1.2
453.25043	3.4
459.27179	7.1
477.28415	100.0
478.28885	5.8
501.28497	1.7
517.31378	2.9
539.33801	5.9
557.34760	33.0
575.35504	1.5
589.37122	9.9
621.32684	12.4
622.32458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	9.2
57.07048	0.6
59.04956	0.5
60.67547	0.6
61.02903	0.6
65.03905	0.8
67.05493	23.6
69.03416	7.5
69.07058	19.4
70.06896	0.4
71.04974	2.7
73.02874	0.8
73.43905	0.4
79.05479	22.4
81.03403	54.8
81.07042	21.6
82.03728	0.6
83.01297	0.5
83.04486	0.5
83.04956	6.1
83.08602	14.8
85.02849	1.9
85.06496	1.1
87.04434	0.5
91.05465	20.1
91.10983	0.4
92.05768	0.5
93.07030	16.5
94.04152	0.5
94.07303	0.7
95.01256	0.6
95.04951	21.4
95.08594	9.8
97.02323	0.7
97.02874	8.9
97.06511	3.5
97.10152	9.6
99.08073	0.7
100.79305	0.4
102.41932	0.5
103.05424	0.8
105.03339	0.8
105.06336	0.9
105.07011	17.7
107.04939	8.6
107.07895	0.6
107.08575	11.2
109.02808	1.3
109.05938	0.4
109.06498	4.7
109.09496	0.6
109.10145	7.6
111.04385	1.8
111.08060	5.6
113.05952	0.9
115.05392	1.4
116.06217	0.5
117.06996	6.3
119.04890	1.9
119.08566	15.1
120.08816	0.6
121.06487	4.9
121.09348	0.6
121.10128	6.8
123.04378	1.2
123.08058	3.6
123.11660	1.2
125.09595	8.5
128.06169	0.7
129.06975	8.5
130.07744	0.8
131.04849	0.6
131.08548	9.1
133.06467	4.1
133.10101	6.5
134.07227	1.0
135.08043	2.8
135.11664	3.0
137.09573	2.5
141.06960	0.7
142.07697	1.3
143.08563	2.5
145.06447	0.8
145.10118	4.3
147.04282	0.5
147.08022	6.5
147.11652	6.4
149.02319	0.6
149.09598	4.7
149.13181	1.7
151.11099	1.2
153.09048	1.6
155.08504	0.7
157.06433	0.6
157.10103	8.0
159.07906	1.3
159.11632	3.1
161.09525	1.9
161.13254	0.5
162.10370	0.6
163.11131	2.7
165.09077	1.2
165.12677	1.4
169.10133	0.6
169.12273	0.7
171.10223	0.7
171.11639	2.0
173.09453	0.5
173.11795	0.5
173.13200	0.5
175.11159	6.6
177.12691	1.0
179.10649	0.6
183.11627	0.7
184.07300	0.6
185.09535	0.6
189.11183	4.9
189.12675	0.9
193.04881	0.5
193.12216	12.7
195.11702	0.6
195.13734	1.1
199.11215	0.6
205.12201	2.0
209.11754	0.5
211.13210	1.8
213.12759	0.7
213.16437	0.5
219.13745	4.0
223.13249	14.1
224.13525	0.6
227.12721	7.7
229.14189	0.7
233.15298	0.6
245.19023	0.8
249.14861	3.6
253.14226	2.4
263.19864	0.7
267.15863	72.2
268.16254	2.6
273.18460	8.8
274.19052	0.6
275.19971	0.6
279.63470	0.5
283.15317	1.7
287.19995	0.6
291.19495	64.7
292.19858	2.7
309.20551	0.6
313.21649	1.3
347.22006	1.2
349.23758	0.7
365.23166	45.7
366.23459	2.2
371.22284	0.5
385.23795	1.0
419.24356	1.0
426.11032	0.5
437.25220	1.2
445.25839	5.5
451.27365	0.6
459.27350	5.5
463.26865	1.9
465.29880	1.3
476.30853	0.6
477.28232	4.5
483.30927	1.6
529.35242	1.0
539.33490	7.4
557.34650	100.0
558.34955	8.5
575.35797	1.9
585.30188	0.6
589.37878	0.6
658.56635	0.6
683.37769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	16.6
57.07064	1.6
59.05004	4.6
61.02915	5.2
65.03919	2.2
67.05494	62.1
68.05816	1.0
69.03426	4.5
69.07059	10.7
69.68030	5.2
69.68451	2.1
71.01355	1.3
71.04979	4.7
71.08627	0.8
73.02889	2.6
79.05481	26.8
80.05805	0.9
81.03407	18.5
81.07043	32.4
83.01329	7.6
83.04968	14.8
83.08156	1.2
83.08609	15.6
85.02900	12.9
85.06527	3.5
87.04442	3.8
91.03947	1.8
91.05468	18.0
93.07031	28.4
95.04952	10.7
95.08585	12.2
97.02873	8.0
97.06518	5.9
97.10159	14.3
99.04443	3.8
99.08044	1.3
105.03371	1.1
105.07021	11.7
107.04938	10.7
107.08572	21.3
109.02863	0.9
109.06516	7.9
109.10141	40.8
110.10539	0.7
111.04429	3.7
111.08062	3.8
113.06045	0.9
115.05437	1.4
116.04690	0.8
117.07001	6.7
119.08572	13.9
121.06501	3.0
121.10131	9.9
123.04390	1.0
123.08049	8.8
125.05994	1.6
125.09618	11.5
127.03883	1.1
129.05495	2.3
129.06981	2.4
131.08560	5.4
133.10112	3.7
135.08018	3.9
135.11664	14.8
137.09550	4.6
143.08560	1.4
143.10675	1.3
145.06480	1.4
145.10110	16.3
147.08032	3.8
147.11678	2.8
148.92072	0.9
149.09575	2.0
151.11165	1.2
153.12740	6.0
155.08536	1.9
155.10661	2.2
157.10178	1.1
159.11647	0.8
163.11169	29.3
165.12773	1.0
171.11682	1.3
173.09605	5.3
173.11705	13.0
173.13068	1.5
181.12172	5.2
184.07291	1.7
191.10638	6.0
193.12192	1.4
199.13226	6.8
199.14746	0.7
209.11714	15.4
211.13232	1.2
227.12737	11.3
229.14314	45.0
230.14679	1.0
265.14481	1.1
266.52383	1.0
267.15863	3.6
275.19986	1.1
283.15356	100.0
284.15622	1.7
291.19498	0.8
297.11343	1.0
301.16391	15.5
311.14789	1.6
397.17880	1.0
399.23724	13.9
407.24014	2.6
425.25360	6.6
437.25305	38.2
458.21667	1.1
470.22885	1.5
491.26123	3.1
493.27972	0.9
503.26581	1.6
503.33423	1.7
509.27460	10.2
527.28064	2.3
607.34760	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	13.0
57.07058	2.0
57.66258	1.1
61.02915	2.3
64.70152	1.0
65.03920	1.7
67.05492	44.8
69.03410	2.8
69.07050	10.2
71.00461	3.8
71.04969	3.9
73.02867	1.2
79.05477	31.3
80.68022	1.1
81.03403	61.5
81.07041	41.3
83.04964	4.5
83.08598	16.6
85.02898	2.9
85.06534	2.6
86.09679	1.5
91.03942	1.8
91.05463	28.8
93.07024	35.8
94.55904	1.2
95.04379	1.9
95.04956	19.4
95.08595	29.9
97.02874	2.8
97.06528	5.6
97.10146	5.2
105.07017	18.7
107.04926	4.9
107.08585	20.2
109.06483	4.8
109.10145	12.9
111.04413	2.1
111.08078	7.3
115.05393	1.1
117.06999	5.1
119.08578	17.1
121.06486	2.6
121.10118	16.7
121.50008	1.1
123.04389	1.4
123.08043	2.5
123.11683	4.8
125.09626	3.5
127.09908	1.2
129.06975	7.8
131.08560	14.9
133.06444	2.3
133.10104	12.8
135.11678	12.0
137.09618	2.6
142.07765	2.2
143.08574	1.8
145.10088	8.3
146.69115	1.2
147.08014	3.5
147.11641	10.0
149.09605	4.8
149.13246	6.4
151.11179	1.9
157.10138	9.3
159.11684	4.5
161.13229	4.9
163.11128	1.5
163.14799	4.3
165.12689	2.3
173.13249	4.7
175.09821	1.2
175.11118	7.4
175.14796	2.1
184.07306	2.4
187.14854	1.7
189.11195	3.0
193.12209	16.9
199.14763	1.5
211.13245	2.6
218.11414	1.2
227.12737	5.2
243.21063	4.6
261.22070	20.6
267.15869	100.0
268.16238	2.2
279.23303	1.4
299.23587	1.2
301.25278	4.0
317.24756	3.7
318.24841	1.3
335.25751	94.4
336.26044	2.2
417.26410	1.5
421.25772	2.2
435.32578	3.7
453.33746	6.5
471.34525	3.3
527.37225	68.1
528.37512	1.4
545.38330	57.5
546.38696	1.7
569.38501	2.8
590.44226	2.3
623.42297	1.5
746.17963	1.2
752.48895	1.7
780.21863	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	9.3
59.04976	1.0
60.62689	0.7
60.75244	0.8
61.02899	1.7
65.03917	1.9
67.05493	25.1
67.11794	0.8
69.03417	23.3
69.07055	6.5
69.65043	6.0
69.65452	1.8
71.04979	6.7
73.02879	2.5
75.02359	0.8
75.98704	1.0
79.05477	23.4
81.03404	100.0
81.07044	26.4
81.35022	0.9
82.03746	1.0
83.01308	1.0
83.04486	1.6
83.04967	21.7
83.08605	21.5
85.02892	20.7
85.06523	3.5
91.05468	27.5
93.07025	17.4
95.04955	29.0
95.08599	9.6
97.02877	20.7
97.06522	4.8
97.10155	7.9
99.04435	6.7
99.08066	2.0
103.05458	1.0
105.02775	1.1
105.03372	7.0
105.07012	19.9
106.03714	1.5
107.04929	9.5
107.08585	10.1
109.02863	16.4
109.06474	6.0
109.10131	4.5
111.04433	10.7
111.08060	10.4
113.05997	1.3
115.05448	2.7
117.06995	4.4
119.04944	3.0
119.08562	19.4
121.02876	2.0
121.06479	8.2
121.10131	9.2
123.04389	3.7
123.08027	2.3
123.11690	2.7
125.09627	6.3
127.03901	16.0
129.05449	3.7
129.06978	12.3
131.04849	1.9
131.08554	11.4
133.06461	4.8
133.10083	10.5
133.79584	0.8
135.04387	1.5
135.08057	2.1
135.11659	3.4
137.05969	1.6
137.09625	0.9
139.03767	0.8
142.07726	2.5
143.08517	2.6
145.02785	1.0
145.04918	2.0
145.06407	2.1
145.10078	4.1
147.04335	3.8
147.08031	3.8
147.11661	19.1
149.05933	2.0
149.09586	6.1
151.03827	1.2
153.12701	2.7
155.08511	1.8
157.06377	1.2
157.10109	13.5
159.08049	1.4
161.05974	1.9
161.09602	1.3
163.03818	1.8
163.11154	4.8
165.05389	1.0
165.09061	1.4
165.12752	6.0
169.10162	1.3
171.04274	1.0
171.08015	1.3
173.04417	7.4
173.05783	1.6
173.09599	1.8
175.07588	0.9
175.11168	15.1
176.61797	0.9
177.05489	2.2
181.12222	3.5
183.06516	1.3
189.05376	1.6
189.11125	1.9
189.12683	1.7
191.10652	3.1
193.12215	41.8
194.12579	1.1
205.12123	1.1
207.13737	1.0
211.13257	51.2
227.12610	4.8
229.14233	5.4
235.13258	1.7
242.11745	5.4
243.11990	2.9
249.14917	1.3
253.06920	1.7
255.13799	1.9
267.13159	1.7
267.15857	24.3
271.08118	1.3
273.14816	3.6
277.14331	1.2
283.15494	2.0
285.16940	22.6
289.14331	1.3
301.14130	6.4
309.17114	2.0
319.15494	3.9
320.06427	0.9
337.16486	4.4
351.17944	1.2
355.17621	7.0
367.22687	2.0
375.17877	2.4
385.23679	2.6
393.19199	4.0
403.24966	1.1
411.20062	7.7
429.21133	13.2
431.27914	1.1
433.25183	1.3
459.27249	18.4
460.27618	1.2
477.28348	23.5
495.29544	14.3
499.21713	1.3
501.28143	1.6
519.29144	2.4
555.29620	1.1
557.30103	1.6
561.30481	1.6
567.29065	1.7
573.30664	1.6
576.47144	0.9
585.30573	6.7
595.20837	1.0
603.31470	8.8
621.32599	19.2
622.34033	1.1
636.60724	0.8
639.33582	29.2
747.34937	1.2
765.36719	2.1
783.37848	9.7
801.37561	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	10.7
59.04982	2.1
61.02915	2.5
65.03918	2.5
67.05492	21.0
69.03416	33.3
69.07061	9.0
69.66283	2.1
69.66703	5.8
71.01330	1.6
71.04978	10.1
71.64944	0.9
73.02896	2.0
76.18982	1.0
77.03902	1.1
79.05477	26.0
81.03400	100.0
81.07040	25.5
83.01313	3.2
83.04963	25.1
83.05464	1.2
83.08601	17.1
85.02888	20.5
85.06527	2.4
86.09670	0.9
91.03916	1.0
91.05460	26.1
93.07028	25.5
93.07506	0.5
93.07625	0.9
95.01283	1.4
95.04947	22.0
95.08575	11.5
96.75352	0.9
97.02875	25.6
97.06493	7.3
97.10146	8.1
98.20722	2.3
99.04444	11.5
101.02354	1.7
103.03934	1.5
105.03374	1.2
105.07009	17.5
105.87420	0.9
107.04926	9.9
107.08571	14.2
109.02851	21.9
109.06514	5.2
109.10131	6.3
111.04418	21.0
111.08054	9.8
115.05447	2.0
117.06979	7.6
119.04893	1.4
119.08555	14.1
121.02837	2.7
121.06483	3.9
121.10123	9.7
123.04405	4.0
123.08024	5.1
123.11677	1.8
125.05957	1.7
125.09619	6.4
127.03883	24.4
128.06256	1.3
129.05435	2.7
129.06984	7.4
131.04909	2.7
131.08537	9.6
133.06451	3.6
133.10112	7.2
135.04419	1.8
135.08038	2.6
135.11667	11.6
137.02284	1.1
137.05971	3.3
137.09584	2.2
139.03860	2.1
139.07466	1.0
141.06908	1.4
143.08501	1.5
145.05005	1.3
145.06462	2.9
145.10091	9.7
147.04385	2.8
147.06985	1.1
147.08043	4.3
147.11667	11.9
149.05994	2.3
149.09602	4.2
151.03819	1.8
153.09166	1.5
153.12712	14.2
155.08574	2.2
157.06433	1.1
157.10109	8.8
159.07974	1.6
161.05940	3.5
161.09618	1.8
163.03850	2.4
163.11145	16.5
165.05414	1.9
165.09103	1.4
165.12778	2.6
169.10060	1.2
171.07985	1.7
173.04439	10.1
173.05968	6.8
173.09566	4.4
175.03906	1.9
175.11183	9.5
177.05417	1.7
181.06573	1.6
181.12167	13.5
183.06454	1.2
184.07283	1.1
185.05949	1.2
185.13242	1.2
189.05525	1.2
189.09164	1.8
189.11180	3.4
191.10645	12.4
193.12202	22.6
199.07582	1.1
201.05391	3.1
205.12198	1.4
207.13805	1.3
209.11623	5.4
211.11235	2.1
211.13243	31.6
212.13496	1.1
213.05305	1.6
217.04932	9.1
223.13452	1.1
227.06963	1.6
227.12726	23.4
227.14754	1.7
229.14328	3.0
231.13841	1.2
240.99986	0.9
249.14861	2.0
253.06995	3.4
255.13692	1.3
259.13269	1.1
265.14349	1.5
267.15903	12.5
271.07980	1.3
273.14792	2.2
283.12628	1.9
283.15372	22.6
285.16977	8.7
286.17255	1.0
287.05490	3.3
289.14389	2.3
301.13998	1.1
301.16690	1.8
310.12704	1.0
311.12607	1.6
313.14038	1.6
317.13834	1.4
319.15515	1.6
329.13870	3.7
337.16431	2.5
353.15945	6.9
355.17426	3.3
383.22128	1.8
385.16360	7.8
391.17633	1.3
393.18912	2.5
401.23215	1.2
409.18539	1.9
411.20139	2.6
427.19479	11.7
429.21030	5.3
457.25842	6.8
475.26859	25.1
476.27869	1.0
479.17801	1.0
493.27863	14.8
511.28638	2.5
514.45483	1.0
573.23279	1.2
583.28632	1.5
601.30164	4.0
611.28070	2.2
619.30829	8.5
627.07538	1.2
637.32080	31.5
638.33014	1.2
655.32544	1.9
656.09418	1.3
777.97198	1.1
781.36420	10.9
799.36011	5.2
812.47260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.7
61.02916	8.0
65.03912	0.5
67.05495	8.1
69.03429	4.4
69.07056	2.2
71.01349	0.8
71.04977	1.1
71.70792	0.8
73.02910	5.9
79.05479	5.2
81.03383	1.9
81.07040	8.6
83.08596	0.7
85.02890	7.7
86.09693	0.4
87.04456	0.4
91.03945	5.5
91.04480	0.7
91.05448	3.5
93.07028	5.9
95.04945	0.7
95.08582	6.1
97.02879	7.1
97.03472	0.7
97.06525	0.5
99.04451	1.5
101.02364	2.7
105.07018	2.2
107.08555	3.5
109.02859	1.3
109.10130	3.2
117.06998	1.1
119.08565	1.4
121.10130	2.2
123.08060	0.7
123.11798	0.5
124.50748	0.4
124.51804	0.4
127.03932	1.9
131.08562	1.5
133.10106	1.2
135.11684	1.8
135.12611	0.4
145.10109	1.0
147.11610	0.5
149.13260	0.8
159.11635	0.6
161.13203	0.5
174.16885	0.4
184.07335	2.1
185.04207	1.0
203.05347	1.0
207.59804	0.4
243.08360	2.7
261.21967	0.6
335.25958	1.0
519.29242	13.9
520.29858	0.8
552.00635	0.5
737.25281	0.4
797.51581	100.0
798.51910	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	798.563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
57.07051	0.3
58.06614	0.4
59.07394	0.2
59.35151	0.1
60.08152	6.2
67.05481	0.5
68.36344	0.1
69.07043	0.2
70.06583	0.2
71.06978	0.3
71.07359	3.8
79.05483	0.2
81.07047	0.7
86.09689	30.5
87.10015	0.2
91.05467	0.3
93.07024	0.4
95.04932	0.2
95.08593	0.4
98.98444	2.9
100.38292	0.1
104.10721	2.1
105.06995	0.3
105.31947	0.1
107.08549	0.3
119.08537	0.2
121.10176	0.2
124.99978	19.5
133.10080	0.2
135.11717	0.2
143.01035	0.4
143.08496	0.2
166.02608	0.3
167.10620	0.2
184.07309	100.0
185.07698	0.7
194.48936	0.1
214.20721	0.1
245.72964	0.1
248.46371	0.1
295.40073	0.2
626.43146	0.2
780.55115	5.3
781.54950	0.2
798.56287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12105	0.1
63.99462	0.1
67.05460	0.1
69.03376	0.2
70.06561	0.2
70.93764	0.4
81.03402	0.2
85.02852	0.4
93.07028	0.2
97.02854	0.2
105.03342	0.3
107.08578	0.2
109.02837	0.3
116.92708	0.2
121.02836	0.2
127.03871	0.4
133.10121	0.3
137.02301	0.2
137.09482	0.2
145.04869	0.2
147.04405	0.3
163.03871	0.2
165.06906	0.3
178.07819	0.5
179.08571	0.9
189.07021	0.5
190.07729	1.1
191.08525	1.7
191.14268	0.5
193.06503	0.2
202.07779	0.6
203.08551	1.6
204.09277	0.4
205.06500	0.4
205.10121	1.7
206.07156	0.7
206.10535	0.2
207.08020	2.2
208.08704	0.4
215.08475	0.3
217.06432	0.6
218.07227	2.9
219.08011	4.2
220.08730	0.6
221.06026	2.1
221.09550	2.5
222.06641	0.9
222.10269	1.2
231.08057	0.4
232.08705	0.3
233.09546	3.5
233.11884	0.2
234.10352	25.1
235.07498	19.5
235.10878	1.5
236.08241	5.3
237.08975	1.4
246.09805	0.2
249.09027	1.4
250.09850	42.8
251.10225	1.8
265.12186	100.0
266.12524	4.3
267.13040	0.1
282.14838	69.3
283.15140	2.4
296.28934	0.2
299.24643	0.2
317.06619	0.2
415.12283	0.1
431.73315	0.2
679.97070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.0
59.04995	0.9
61.02921	4.5
67.05505	4.1
69.03431	2.4
69.07069	1.4
71.04996	1.2
71.78720	1.0
73.02924	3.2
73.87974	0.5
79.05482	4.1
81.03403	3.3
81.07037	4.1
83.04960	0.6
83.08616	1.0
85.02885	4.9
86.09697	1.2
91.03940	2.9
91.05481	4.4
93.07031	4.8
95.04979	1.5
95.08618	2.5
97.02878	4.5
97.06541	0.6
99.04483	0.6
101.02386	1.9
105.03411	0.7
105.07022	3.5
107.08572	2.9
109.02893	0.7
109.10159	1.3
111.08133	0.6
113.23082	0.5
117.06985	0.7
119.08556	2.7
121.10179	2.3
127.03922	1.2
129.05513	0.7
129.07008	1.0
130.57883	0.6
131.08566	2.7
133.10152	2.0
145.04973	0.6
145.10202	0.6
147.11731	1.9
149.09616	1.1
159.11676	0.6
175.11310	1.0
184.07327	2.8
185.04214	0.9
191.68680	0.5
193.12288	0.6
203.05493	0.6
217.11734	0.5
227.12842	0.7
243.08499	3.6
267.09787	0.8
267.15912	0.6
280.89487	0.5
281.07999	0.8
282.08572	0.6
283.15125	5.6
291.64832	0.5
294.51791	0.5
296.10449	0.6
301.09250	1.6
339.18115	0.8
411.77805	0.6
427.19730	0.6
441.21234	0.8
465.21307	1.1
469.20734	0.7
501.23029	12.3
501.29938	0.8
502.23840	0.8
519.92194	0.5
535.28650	8.0
536.28918	0.7
546.83453	0.5
566.12250	0.7
573.25372	1.4
598.14063	0.9
709.32343	2.3
795.45142	100.0
796.45667	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	795.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	0.7
60.08148	0.7
61.02906	0.5
65.35250	0.4
67.05486	1.1
71.00378	0.8
71.00751	0.6
71.07362	0.5
79.05488	0.5
81.07059	0.9
82.71715	0.3
85.02872	0.8
86.09689	3.1
87.04453	1.6
87.10031	0.5
93.07000	0.4
95.08595	0.7
98.53549	0.4
98.98499	0.3
104.10740	0.5
105.07047	0.5
107.08588	0.4
121.10164	0.5
121.26669	0.3
124.99977	2.7
153.49323	0.4
184.07317	15.7
185.07643	2.1
269.73209	0.3
406.86862	0.4
517.20203	0.4
519.29541	0.5
535.26563	1.0
650.31909	0.4
662.62732	0.4
691.40210	4.9
777.53168	0.5
795.42780	100.0
796.43134	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	794.5759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	16.0
57.07061	7.1
61.02911	4.7
65.03931	3.3
66.63333	0.7
67.05492	100.0
68.05837	1.0
69.07054	38.4
71.04983	2.7
71.08609	3.4
71.17391	1.0
71.17761	2.2
73.02905	1.2
79.05476	44.7
80.05836	1.0
81.07038	94.3
82.07359	1.4
83.04968	2.3
83.08601	20.8
85.02907	4.4
85.06528	2.8
86.09726	0.9
87.04469	1.8
91.03930	1.2
91.05460	26.3
93.07026	51.7
95.04958	5.1
95.08587	77.6
97.02889	3.0
97.06490	4.9
97.10149	9.7
99.08079	2.9
105.07003	22.3
107.08576	31.7
109.06516	1.8
109.10127	33.5
111.08076	2.1
111.11746	2.2
113.09659	0.8
117.06988	7.2
119.08556	17.5
121.10122	25.5
123.08067	2.3
123.11681	13.5
125.09620	1.1
127.03852	1.0
129.05437	0.8
129.06992	1.4
131.08536	10.4
133.10095	14.1
135.11661	16.2
135.12601	1.1
137.09598	1.4
137.13239	4.5
143.08569	1.2
145.10106	9.5
147.11664	11.5
149.13223	11.0
151.11128	1.1
151.14780	1.3
153.12674	1.4
157.10097	1.3
159.11674	7.4
161.13216	8.5
161.14305	0.7
163.14783	6.9
165.12630	0.8
165.16383	0.9
166.40092	0.8
167.78836	0.7
171.11717	1.6
173.13246	7.3
174.55933	0.8
175.14787	4.9
177.12724	1.1
177.16412	3.3
179.30952	0.7
181.15782	0.9
184.07372	1.9
185.13258	1.4
187.14790	3.4
189.16350	2.4
199.14880	0.7
201.16380	1.4
203.17967	0.8
215.17728	0.8
231.21207	1.1
233.19034	0.9
233.22626	1.6
241.19623	1.5
243.21048	7.2
245.22726	2.7
259.20514	5.5
259.23944	0.7
261.22104	23.1
263.23645	6.1
277.21628	1.4
287.24042	1.0
299.23715	1.0
301.25098	0.8
315.26767	0.8
317.24841	4.2
333.23975	3.8
335.25754	87.4
336.25928	3.9
337.27295	95.7
338.27710	3.2
339.28992	6.2
381.32092	0.9
408.34888	0.9
462.03656	0.7
517.38623	1.1
523.45197	4.2
531.40460	0.8
541.45929	1.1
545.42065	1.0
557.46057	0.8
597.48712	33.8
598.49146	2.3
615.49725	31.2
616.49872	1.9
825.40118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05459	2.3
57.03429	3.2
57.07064	3.9
61.02909	2.0
62.89093	0.4
65.03908	0.4
67.01814	0.4
67.05493	2.9
68.99773	2.2
69.03420	3.4
69.07049	3.8
70.27082	0.4
71.01315	0.6
71.04945	0.5
71.08620	4.8
71.79034	0.5
72.29762	0.4
73.02898	5.1
79.05439	1.2
81.03407	1.7
81.07040	3.9
83.04958	0.7
83.08611	1.7
85.02881	5.9
85.10175	2.2
86.09663	0.8
87.04466	0.4
90.28605	0.3
91.03936	0.8
91.05457	1.7
93.07001	1.3
95.04921	0.7
95.08589	3.3
97.02880	4.9
97.06504	0.7
97.39007	0.3
99.01767	0.4
99.04394	0.7
100.62907	0.4
102.80850	0.3
103.03867	0.5
105.03329	0.6
105.06957	0.6
107.04885	0.3
107.08530	0.5
109.02815	1.6
109.10095	0.5
111.00215	0.3
111.00786	3.0
112.07587	0.3
115.03897	1.9
117.31355	0.4
121.02842	4.1
121.09988	0.5
124.99952	0.4
127.03902	2.9
131.04918	0.4
133.10124	0.5
135.04434	0.5
135.11646	0.4
137.02274	0.4
137.87292	0.4
139.03850	0.7
145.04909	0.8
147.04382	2.5
147.80330	0.3
153.01794	31.3
153.12695	0.6
154.02106	0.4
155.14323	0.5
157.02792	0.6
157.06354	0.6
159.04385	0.8
159.11603	0.4
161.05948	1.6
163.03835	2.1
163.05963	0.4
165.01784	0.9
165.06927	0.4
166.08603	0.6
169.06439	0.5
171.02892	0.5
171.04318	0.7
173.02209	0.7
173.05902	1.2
175.03868	1.5
177.05492	0.5
179.03310	0.6
181.01321	0.5
181.06454	0.5
183.04388	1.1
184.07278	1.4
185.05887	0.6
187.03874	2.5
189.05441	2.7
191.03307	1.1
195.02765	0.4
197.05898	0.9
197.09494	0.5
198.03203	0.4
199.03789	0.8
200.20009	1.1
201.05371	1.2
203.03325	1.4
211.03806	0.5
211.07512	0.6
213.05450	0.9
215.03343	2.8
216.03941	0.4
217.04889	1.4
219.02795	1.7
225.05295	1.7
227.06848	0.5
229.04857	1.9
231.02777	0.6
237.05403	2.1
239.07001	0.7
241.04930	0.7
243.02824	3.3
243.06503	0.6
252.04306	0.4
253.04933	9.0
255.06558	0.4
257.04459	1.2
265.04907	5.1
267.06558	0.9
269.04321	1.0
271.05966	1.0
281.04398	32.4
282.04831	1.6
285.03894	6.0
287.16455	1.7
288.17093	1.2
293.04401	1.9
295.06055	1.9
297.03894	5.3
298.04633	6.6
299.05444	8.1
299.16156	0.5
308.51837	0.4
309.03882	11.3
310.04572	1.4
311.05441	31.7
312.05887	1.1
313.03387	2.2
313.06763	0.5
315.05069	0.8
319.06000	0.6
323.05411	4.0
326.04095	0.4
327.04926	94.3
327.15607	5.0
328.05234	3.3
329.17468	1.4
337.03329	1.1
337.07004	0.7
337.14169	0.5
339.04868	0.9
341.06415	0.8
345.05981	11.1
346.06357	0.4
351.05020	0.5
353.06567	0.5
355.15479	1.0
369.06342	0.5
417.17188	0.5
423.17957	0.4
435.17929	2.7
438.17853	1.2
453.19019	11.9
454.19333	0.9
463.17334	6.5
481.18494	100.0
482.18826	5.9
499.19580	5.0
507.23947	0.4
523.19470	0.5
632.95624	0.4
710.73492	0.4
775.48920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
55.05503	2.8
57.03424	2.3
57.07063	3.6
58.55648	0.3
61.02907	2.3
67.01838	0.9
67.05494	3.8
68.99780	2.6
69.03411	3.1
69.07058	4.6
70.06582	0.4
70.07366	0.3
71.01326	0.6
71.04983	0.8
71.08613	3.4
71.09641	0.7
73.02547	0.5
73.02900	4.0
79.05484	2.0
81.03398	2.1
81.07041	5.4
82.07364	0.6
82.44178	0.3
83.04958	0.9
83.08613	1.9
85.02887	4.3
85.06512	0.4
85.10156	1.2
86.09686	0.3
87.04469	0.3
91.03930	1.1
91.05453	2.1
91.64892	0.3
92.05770	0.5
93.07040	2.1
95.04929	1.2
95.08596	2.8
96.05350	0.3
97.02874	4.5
97.06521	1.2
97.10130	0.6
98.06837	0.5
98.21439	0.3
101.10092	0.3
103.05479	0.4
105.07001	1.3
107.04913	0.6
107.08559	0.8
109.02848	0.8
109.06515	0.7
109.10112	0.8
111.00780	3.1
111.08067	0.5
115.03906	1.1
115.05450	0.6
115.07536	0.6
117.07013	0.8
119.08543	1.0
121.02843	0.4
121.10175	0.5
123.04443	0.4
127.03878	1.1
129.06999	0.7
130.61121	0.4
131.08578	0.5
133.04893	0.4
133.10098	0.6
135.11658	0.3
137.02324	0.5
137.05972	0.3
137.32907	0.3
139.03856	0.8
143.04906	0.5
145.04892	0.7
145.10150	0.4
147.04370	1.2
147.11646	0.4
153.01796	51.1
153.12715	0.7
154.02127	0.6
155.14281	0.5
157.10065	0.4
161.05919	2.1
163.03944	0.7
163.11266	0.3
165.01833	1.5
171.02875	0.5
173.02296	0.5
173.05888	2.3
175.03864	1.2
177.05434	1.0
179.03322	0.7
181.01263	0.4
181.06461	0.6
183.04364	0.5
184.07321	1.2
185.05986	0.8
187.03841	1.7
189.05450	8.2
191.03316	0.7
193.06506	0.4
193.12286	0.6
197.05914	1.3
199.07536	1.1
200.20111	0.4
201.05380	1.6
203.03358	1.1
211.03896	0.8
211.07411	0.6
211.13269	0.8
212.13684	0.4
213.05440	1.3
213.09009	0.4
214.06265	0.6
215.03392	3.2
215.06953	0.8
217.04955	1.5
219.02866	1.2
225.05460	1.4
227.07025	1.3
227.12790	0.5
229.04869	2.6
231.02757	0.5
237.05560	0.6
239.03365	1.3
239.07013	1.1
241.04968	1.3
242.05598	0.4
243.02864	2.3
243.06592	0.8
253.04906	5.0
255.06499	1.0
257.04404	3.7
265.05148	0.8
267.06512	1.0
267.16055	0.5
269.04446	0.8
271.05942	1.6
275.19952	0.4
281.04413	5.6
282.05176	0.9
283.06061	0.4
285.03885	3.6
285.16916	0.6
286.17233	0.6
287.05286	0.6
287.16507	0.8
288.17236	1.9
291.06323	0.4
293.04474	0.5
295.05978	1.7
297.03888	2.9
298.04620	5.7
299.05438	7.1
299.08820	0.6
299.16412	0.6
309.03986	1.7
309.14563	0.5
310.04681	0.7
311.05444	19.6
311.16467	0.5
312.05762	1.0
313.03470	1.8
313.06812	0.5
315.04962	0.6
319.05984	0.9
323.05450	4.8
325.07037	0.8
326.04196	1.1
327.04935	62.8
327.15439	1.7
328.05276	2.3
329.17383	1.3
337.03403	0.4
337.07013	1.2
337.14328	1.2
339.04889	3.0
340.05664	0.8
341.06537	2.0
343.04373	0.9
344.04816	0.8
345.05670	2.3
347.05450	1.4
351.04889	0.9
355.15338	2.0
361.06973	0.7
364.05664	0.6
365.06396	1.9
369.05795	0.4
397.16626	0.5
425.19595	0.9
435.18204	1.9
453.19043	11.4
453.25372	0.6
454.19299	0.4
463.17395	6.2
477.28506	0.5
479.17078	0.8
479.29208	0.4
480.17435	1.1
481.18494	100.0
482.18787	3.3
499.19476	2.7
523.19250	0.6
560.36047	0.4
577.35950	0.4
765.40991	0.4
793.39056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.6
55.05501	3.2
57.03426	3.8
57.07065	4.7
61.02913	2.4
66.60464	0.3
67.05489	7.1
68.05799	0.5
68.99757	1.1
69.03420	2.9
69.07051	3.5
71.01324	0.6
71.04943	1.1
71.08615	5.8
72.54436	0.3
72.66693	0.3
73.02906	5.7
79.05482	4.0
81.03401	4.6
81.07038	8.5
82.07349	0.7
83.04937	1.3
83.08614	3.3
84.08933	0.3
85.02457	0.4
85.02890	5.8
85.06483	0.8
85.10155	3.3
91.03909	1.4
91.05462	3.8
92.05775	0.7
93.07045	3.0
95.04935	2.1
95.08594	6.4
97.02862	4.3
97.06483	0.7
97.10124	0.6
97.37086	0.3
99.04420	0.3
103.67265	0.3
104.54571	0.3
105.07010	2.4
107.04987	0.6
107.08558	2.1
108.08851	0.3
109.02803	0.5
109.06438	1.1
109.10149	2.3
110.10423	0.5
111.00767	1.8
111.04356	0.3
111.08061	0.5
115.03902	2.3
117.06979	0.6
119.08565	2.1
120.08899	0.3
121.02843	0.6
121.06437	0.3
121.10081	0.9
123.04409	0.7
123.08071	0.4
125.09548	0.6
127.03870	1.2
129.06929	1.2
131.08511	1.1
132.08871	0.5
133.06412	0.4
133.10080	1.3
135.11635	0.6
137.02312	0.7
139.03867	0.9
142.07713	0.4
143.76271	0.3
145.04903	0.8
145.10133	0.4
147.04335	1.4
147.11636	1.5
149.09604	0.5
149.13123	0.4
153.01797	14.2
155.14285	1.8
157.06494	0.4
157.10062	1.1
161.02316	1.7
161.05952	0.6
163.03828	1.2
163.05974	0.5
165.01807	1.6
165.12708	0.4
173.02295	0.8
173.05930	0.6
173.11653	0.4
175.03851	0.7
175.11046	0.7
177.05420	0.3
183.02840	0.6
183.04362	0.5
184.07214	0.5
185.05908	0.8
187.03912	1.6
189.05449	0.4
191.03415	0.5
193.12213	3.1
194.12532	0.6
195.02689	0.4
197.05916	0.9
201.05440	0.5
203.03326	0.9
205.76613	0.4
211.13290	2.8
212.13591	0.7
215.03320	0.9
215.06879	0.4
217.04892	1.0
219.02858	0.7
225.05331	0.5
227.12827	0.5
229.04948	0.7
229.14268	1.5
230.14452	0.4
237.05302	0.9
242.05563	0.6
243.02754	1.5
243.06525	0.6
252.04184	0.5
253.04901	5.3
265.04889	1.6
267.15836	1.5
268.16214	0.5
269.04385	0.8
269.17355	0.7
270.05136	0.7
271.05890	1.2
275.19965	1.3
276.20572	0.4
281.04395	13.5
282.04828	0.8
285.03818	2.8
285.16949	3.0
286.17297	1.0
295.05978	1.0
297.03860	1.9
298.04642	7.4
299.05399	8.0
309.03888	4.4
311.05435	6.2
313.03467	1.9
315.04831	1.1
323.05374	1.5
324.42682	0.3
326.04114	0.4
327.04922	100.0
328.05228	4.3
339.04880	1.5
341.06674	0.4
343.04587	0.6
345.06018	4.6
349.23657	1.2
350.24075	0.6
351.04901	0.5
367.24670	0.4
369.06012	2.3
387.07626	0.3
393.05893	0.8
435.17972	0.7
439.26810	2.9
440.27310	1.9
453.07834	0.5
453.19031	4.6
461.28690	0.9
462.29416	0.6
463.17352	2.4
479.29922	2.2
480.30374	2.1
481.18491	56.2
482.18811	3.6
499.19583	14.8
500.19843	0.8
523.19891	0.9
541.20544	0.4
541.35052	0.5
542.35352	0.7
547.19220	0.7
558.10406	0.4
559.36151	1.4
560.36444	1.5
577.36676	0.3
578.37549	0.8
625.23004	0.6
643.23053	0.5
689.31738	2.1
793.35986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.3
55.05504	1.3
57.03426	1.6
57.07068	4.8
61.02925	0.9
61.03154	0.2
65.03888	0.2
67.05498	2.4
68.99789	1.1
69.03420	2.8
69.07053	2.3
70.91741	0.6
71.01317	0.4
71.08620	5.5
73.02907	3.4
79.05443	0.6
81.03364	0.7
81.07045	4.2
81.90188	0.2
83.08560	0.7
85.02889	4.2
85.10170	3.0
86.09676	0.3
91.03898	0.2
91.05440	0.3
93.06976	0.3
95.08595	4.3
97.02876	2.9
97.06491	0.3
99.40941	0.2
105.03355	0.5
105.06991	0.2
109.02805	0.4
109.10124	0.2
111.00799	1.7
115.03910	1.0
119.04915	0.3
121.02850	0.4
123.04399	0.3
124.99936	0.3
127.03869	0.8
131.04913	0.2
135.04356	0.2
137.02277	0.7
137.13194	0.4
139.03854	0.3
145.02824	0.3
145.04898	0.6
147.04378	1.2
153.01805	13.7
154.02182	0.2
155.14287	1.9
157.02757	0.3
157.06464	0.3
159.04358	0.3
161.02312	1.5
161.05946	0.5
163.03868	1.1
163.05956	0.2
165.01808	1.6
171.04187	0.2
173.02347	1.3
173.05919	0.3
175.03845	0.8
181.01323	0.2
183.02759	0.6
183.04340	0.3
184.07306	0.8
185.05885	0.4
187.03876	1.5
189.05411	0.6
191.03323	0.6
192.99782	0.2
197.05937	0.6
199.03799	0.4
199.07426	0.2
201.35725	0.2
203.03377	0.8
211.03720	0.3
211.07513	0.2
215.03285	1.2
215.06970	0.2
217.04935	0.6
219.02832	0.7
225.05370	0.5
229.04948	0.7
237.05431	0.7
239.03433	0.3
241.04839	0.2
242.05600	0.4
243.02817	1.4
243.06448	0.6
252.04033	0.5
253.04932	4.8
254.05292	0.4
257.04358	0.3
265.05008	1.2
266.05582	0.3
269.04416	1.0
270.05139	0.7
271.05905	1.2
281.04410	12.7
282.04868	0.9
283.05811	0.2
285.03928	2.4
287.16348	0.3
295.05939	0.6
297.03827	1.6
298.04694	8.2
298.08038	0.4
299.05463	7.5
300.05734	0.4
309.03903	3.8
310.04294	0.2
311.05463	6.2
312.05884	0.5
313.03397	2.0
313.06851	0.3
315.04990	1.1
323.05527	1.1
325.03494	0.2
325.06973	0.2
326.04126	0.5
327.04941	100.0
328.05322	4.6
329.06561	0.2
337.03262	0.3
337.07001	0.4
339.04944	0.7
341.06653	0.2
343.04486	0.7
345.05988	4.8
351.04767	0.3
355.04288	0.3
369.05844	0.4
385.23074	0.3
435.17847	0.5
453.19052	4.6
454.19370	0.4
463.17514	2.4
481.18530	55.8
482.18893	4.7
499.19574	21.0
499.27191	0.4
500.20001	1.9
807.64832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
55.05503	20.0
56.66879	0.4
57.03145	0.9
57.03427	13.9
57.07061	3.8
61.02918	3.3
65.03934	3.9
67.05492	81.0
67.89945	0.4
68.05824	1.0
69.03414	1.7
69.07057	20.4
69.60169	4.7
71.04964	2.5
71.08621	0.7
73.02904	1.2
77.03931	1.1
79.05479	48.5
81.03415	1.2
81.07041	77.8
82.07380	0.9
83.04996	2.4
83.08604	8.6
85.02886	4.2
85.06529	1.4
91.03927	1.6
91.05465	29.3
93.07027	58.4
94.07349	0.9
95.04954	4.9
95.08590	63.0
96.08959	1.1
97.02885	2.1
97.06506	2.9
97.10132	3.5
99.08075	1.2
105.04508	0.7
105.07016	22.9
106.07373	0.6
107.08575	32.2
108.08925	0.6
109.06485	1.9
109.10139	27.3
111.08060	2.0
113.09650	0.5
115.57050	0.6
117.06998	8.6
119.08557	18.7
119.09392	1.1
121.10123	28.2
123.08056	1.6
123.11689	9.0
125.09595	1.5
127.03934	0.5
128.30312	0.4
129.06998	2.1
131.08543	15.5
132.60497	0.5
133.10107	15.1
135.11664	17.6
137.09618	0.8
137.12328	0.5
137.13199	2.9
139.11160	1.1
143.08554	1.9
145.10103	11.0
147.11656	11.0
149.09613	1.1
149.13234	9.9
151.11201	0.7
151.14784	0.9
153.12732	0.8
157.10121	2.1
159.11682	10.8
161.13234	9.2
163.14775	5.4
165.12827	0.5
165.16444	0.6
169.10144	1.1
171.11723	2.0
173.13237	8.6
175.14801	4.6
177.12764	0.8
177.16339	1.4
179.14429	0.7
183.11577	0.6
185.11833	0.6
185.13217	2.6
187.14781	3.8
189.16373	1.5
199.14830	1.5
201.16371	2.0
213.16457	0.6
215.17845	0.9
231.21010	0.9
233.22670	1.0
241.19539	4.0
243.21036	5.8
259.20569	8.1
261.19229	0.8
261.22101	17.7
262.22333	0.6
263.23639	2.3
277.21463	1.0
279.23386	1.0
299.23624	1.3
301.25223	0.7
303.23398	0.6
315.23135	1.1
317.24707	4.2
333.24136	6.9
335.25751	100.0
336.26099	3.9
337.27359	10.4
389.30588	0.7
463.34143	0.6
487.37592	0.6
489.35590	0.7
497.30646	0.6
521.43158	1.8
539.44196	0.7
543.40405	0.8
595.38171	0.8
595.47137	14.9
613.38635	0.7
613.48224	13.5
614.48163	0.9
809.64844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.7
55.05500	32.0
57.03427	23.8
57.07062	2.4
59.04979	2.6
59.76679	1.2
61.02904	3.8
61.51884	1.2
63.54100	1.2
65.03931	4.7
67.05494	81.3
69.03415	7.5
69.07056	27.8
69.62044	9.8
69.62456	2.0
71.04978	10.9
71.08611	2.3
73.02899	1.8
79.05482	55.9
81.03403	82.4
81.07041	97.0
83.04969	23.0
83.08605	40.9
83.38218	1.3
85.02891	31.9
85.06534	5.6
86.22786	1.2
87.04458	1.1
91.05466	61.9
93.07030	53.4
95.04949	38.2
95.08587	32.8
97.02880	4.3
97.06522	15.8
97.10156	11.8
98.21398	2.1
99.08092	3.0
103.05421	2.4
105.03387	2.6
105.07015	45.9
107.04932	14.0
107.08573	36.8
109.06491	12.9
109.10136	32.0
111.04463	3.7
111.08057	18.0
113.05991	3.8
115.05437	2.9
117.06996	10.1
119.04873	1.4
119.08567	42.7
121.06507	6.4
121.10126	22.4
122.92342	1.2
123.08040	8.5
123.11707	7.7
125.09597	7.0
127.03908	3.1
129.05444	1.9
129.06995	14.3
131.08546	29.3
133.06517	5.6
133.10104	30.3
135.08022	5.8
135.11642	8.7
137.09618	4.6
141.06929	1.9
142.07745	3.3
143.08531	2.8
145.10110	11.1
147.08040	5.2
147.11658	28.9
149.09569	17.3
149.13232	12.2
151.11151	2.7
153.01852	3.2
155.08618	1.7
155.10684	1.2
157.10107	21.9
159.11656	10.7
161.09605	1.8
161.13235	3.7
163.11172	4.5
163.14841	2.1
165.12695	6.8
166.53200	1.6
167.08508	1.9
169.10129	2.9
171.11618	2.0
173.11678	5.8
173.13245	4.4
175.11145	20.7
177.05392	2.2
177.12732	3.2
179.14334	2.0
183.11729	1.4
185.13354	1.6
187.11139	1.7
189.11227	2.9
193.12215	52.4
195.13762	3.8
197.13335	2.0
201.12634	1.6
211.11177	3.0
211.13245	59.2
217.04742	1.6
226.59418	1.3
227.12842	6.2
229.14287	14.2
239.17958	1.7
247.20540	1.6
251.16306	1.3
253.04529	1.3
257.19009	7.7
267.15869	41.8
269.17438	32.6
275.20001	44.4
281.04654	1.6
282.04706	1.7
285.03632	1.4
285.16925	69.3
293.21030	7.0
299.05283	3.2
300.05801	1.9
327.05045	9.8
328.05319	8.2
329.05490	7.1
331.22421	1.8
345.06094	1.4
349.23691	32.9
367.24701	14.9
421.25882	8.5
437.25385	1.8
439.26877	46.9
440.27228	2.3
443.27899	3.7
455.26157	2.1
461.28915	39.6
475.10440	1.7
476.10892	2.9
479.29996	100.0
480.30191	3.1
523.33984	1.9
541.35144	33.1
559.36243	69.2
559.45044	3.3
560.36450	4.6
577.37244	26.9
583.30573	2.2
605.32697	2.5
612.23242	3.1
623.34332	6.0
630.24353	4.8
792.38452	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	790.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.3
56.05029	0.8
57.07045	0.1
58.06608	0.5
59.07372	0.2
60.08150	6.6
61.22845	0.1
64.89948	0.1
66.37277	0.1
67.05487	0.5
69.07055	0.3
70.06573	0.2
70.11793	0.1
70.12218	0.4
71.06990	0.2
71.07360	3.2
71.08598	0.2
79.05462	0.3
80.97376	0.1
81.07025	0.4
83.08603	0.2
83.43948	0.1
86.09689	31.9
87.10004	0.2
91.05446	0.3
93.07024	0.4
95.04943	0.2
95.08573	0.3
98.98446	2.8
104.10722	2.8
105.07018	0.2
107.08546	0.2
109.10156	0.3
111.11821	0.1
117.06934	0.1
124.99975	20.2
130.48175	0.1
133.10117	0.1
143.01048	0.4
166.02669	0.3
169.20702	0.1
184.07306	100.0
185.07689	0.5
226.13245	0.1
275.19949	0.2
317.11508	0.1
335.25687	0.2
496.34134	0.2
610.45306	0.4
690.46948	1.8
772.55127	0.9
790.55756	4.0
791.55420	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.4
55.05502	17.3
55.10982	0.6
57.03428	9.8
57.07053	1.9
59.04966	1.1
61.02904	2.1
65.03922	2.5
67.05494	38.8
69.03416	3.8
69.07057	13.1
71.04985	5.4
71.08620	1.0
71.54957	1.3
73.02895	1.7
76.38007	0.8
77.40467	0.6
79.05479	37.0
79.24088	0.6
81.03404	35.8
81.07043	34.4
81.07528	1.5
83.04968	5.7
83.08604	16.1
85.02896	3.6
85.06495	3.6
86.09689	1.5
87.04474	1.0
91.05465	34.7
93.07031	38.5
94.07354	0.9
95.04952	17.5
95.08591	25.3
97.02846	2.4
97.06525	4.1
97.10153	8.8
99.08068	1.8
101.36549	0.6
105.07014	31.9
105.62929	0.7
106.07371	0.8
107.04932	4.9
107.08578	21.6
109.02845	1.0
109.06491	4.1
109.10143	13.5
111.04501	0.9
111.08058	4.9
114.38605	0.7
115.05427	2.0
116.06202	0.7
117.07003	14.2
119.08561	34.3
121.06480	4.8
121.09254	0.9
121.10124	19.1
122.32345	0.7
123.04413	1.3
123.08066	4.2
123.11683	2.7
125.00024	0.8
125.09615	7.7
128.06201	2.2
128.56981	0.8
129.05510	0.8
129.06985	13.1
130.07716	1.1
131.08548	22.0
133.06483	1.7
133.09145	1.3
133.10117	20.8
133.11121	1.0
135.07971	3.4
135.11665	8.1
137.09583	2.8
139.11133	1.0
141.06949	3.1
142.07745	2.2
143.08527	10.5
145.06401	1.0
145.10097	15.3
147.07979	2.5
147.10544	1.2
147.11667	18.1
149.09578	5.6
149.13222	3.5
151.11136	1.1
153.09071	1.0
155.08536	6.3
156.09337	1.3
157.10106	12.9
159.08025	2.2
159.11670	13.3
160.12025	0.8
161.06000	0.7
161.09669	1.7
161.13268	7.6
163.11186	3.0
163.14888	0.8
165.12802	1.3
167.08539	2.0
167.10675	0.9
169.10095	8.0
170.10847	0.9
171.07986	0.8
171.11658	9.9
173.09567	1.4
173.11810	1.3
173.13214	7.6
175.11192	4.4
175.14694	3.9
177.12688	1.5
179.08591	1.1
181.10065	3.8
183.11661	5.7
184.07365	3.1
185.09596	0.9
185.13216	7.1
187.11205	1.0
187.14769	3.5
189.11198	4.5
189.12704	1.4
189.16425	1.1
193.10220	1.6
193.12231	6.2
195.11627	3.9
197.13264	5.0
199.11205	1.4
199.13167	1.1
199.14764	4.0
201.16335	1.0
203.14291	1.2
207.11748	1.8
209.13258	3.3
211.14809	2.5
213.12735	1.1
215.14348	0.8
217.15915	2.1
221.13257	2.0
223.14822	2.2
225.16423	1.6
227.12701	7.1
227.17911	0.9
229.14349	1.4
231.17580	0.9
231.20992	0.9
233.15434	1.1
235.16904	1.1
241.19511	3.9
243.15877	1.1
247.17050	1.0
259.17645	1.1
259.20538	13.2
261.18286	0.9
263.17816	1.0
267.15878	16.4
273.18637	0.9
275.20114	1.8
283.20578	2.6
285.22058	1.4
291.19754	0.9
297.18701	1.3
297.22174	1.6
299.20334	1.5
299.23682	5.2
301.21628	1.6
309.22134	1.1
315.23230	1.5
321.21796	0.9
325.21368	1.3
327.23114	0.8
329.21091	1.0
333.24255	8.4
334.24445	1.0
335.23160	1.0
343.22656	1.1
353.24631	0.9
357.24411	1.1
361.73715	0.7
379.65112	0.7
382.42514	0.7
403.24762	1.8
405.26331	0.7
407.24338	1.1
409.26062	1.0
415.25070	0.8
415.29510	3.3
417.26300	2.2
421.25751	8.1
431.28049	1.1
433.30978	9.1
435.27151	6.1
449.29620	1.2
451.32016	9.3
461.28897	1.0
469.33224	5.1
471.33105	0.8
483.34473	1.1
489.33621	1.2
499.34341	1.0
507.34567	4.6
515.37146	1.3
517.35107	3.1
525.35687	50.3
526.36102	3.6
539.37567	1.0
543.36731	100.0
544.37109	9.9
557.38318	11.7
558.39001	0.8
567.36511	1.8
575.39465	15.8
576.39740	2.3
585.37720	1.5
609.37469	1.1
621.37549	0.9
633.37549	1.6
651.38580	1.0
669.39374	1.1
687.40527	1.8
705.42334	1.1
791.37805	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	790.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.3
55.05502	34.1
57.03426	24.1
57.07055	3.1
59.04986	3.6
61.02902	4.7
65.03920	4.8
67.05494	100.0
68.05807	2.2
69.03419	12.2
69.07058	26.9
71.01328	3.7
71.04980	13.8
71.08613	1.6
71.79550	2.3
73.02894	2.2
77.03905	1.6
79.05479	82.6
80.05806	1.6
81.03408	25.2
81.07040	91.6
82.07372	2.5
83.04974	15.8
83.08597	16.0
85.02892	10.8
85.06528	7.8
86.09691	5.0
87.04443	2.0
91.03922	1.8
91.05466	52.2
93.07027	98.6
94.07347	2.0
95.04949	21.5
95.08592	70.0
95.68045	1.3
96.08916	2.1
97.02872	15.1
97.06517	15.2
97.10143	10.4
99.04461	2.8
99.08073	2.6
105.04485	1.7
105.07013	32.1
107.04939	17.9
107.08572	44.6
109.02840	2.9
109.06503	7.9
109.10136	38.5
110.10462	1.3
111.04430	19.9
111.08053	6.7
111.11695	2.4
113.06019	2.0
117.07008	20.6
119.08561	35.1
120.08929	1.8
121.06503	6.6
121.10125	52.0
122.10460	1.7
123.04419	2.6
123.08068	9.1
123.11691	10.3
125.00004	3.0
125.05972	4.9
125.09590	6.8
127.03892	4.1
129.05443	1.5
129.06961	7.8
130.07710	1.6
131.08557	25.5
133.10109	20.6
135.08025	5.1
135.11665	34.1
137.05946	1.5
137.09628	5.2
139.11153	10.4
143.08542	7.5
145.06468	2.7
145.10114	31.3
147.07986	6.4
147.11659	10.4
149.09593	10.0
149.13245	8.8
151.11151	3.6
153.12711	4.2
155.08551	5.0
157.10036	6.2
159.10451	2.0
159.11687	12.3
161.09605	2.2
161.13226	8.7
163.11150	19.3
163.14810	4.1
167.10655	5.1
169.10085	3.2
171.08078	1.6
171.11679	5.4
173.04453	10.2
173.09549	5.4
173.11702	3.7
173.13252	10.8
175.11139	2.9
175.14775	2.8
181.10031	1.4
181.12186	6.8
182.91765	1.1
183.11650	3.1
184.07306	13.1
185.11729	1.6
185.13226	4.8
187.11084	1.5
187.14818	3.4
189.11182	3.2
191.10645	15.1
191.14415	1.5
193.12263	1.7
195.11674	2.5
197.13213	2.5
199.14806	2.9
203.12682	2.4
205.12180	3.0
209.11682	41.9
210.12061	1.7
223.13278	5.4
227.12746	18.3
229.14282	8.6
241.14334	22.6
241.19475	1.4
243.15904	2.9
243.21051	5.1
250.47266	1.2
255.15886	3.5
255.21230	1.4
259.15314	4.4
259.20593	5.0
261.22107	15.6
265.14383	3.3
267.15988	1.7
273.22009	2.4
275.20001	2.7
283.15329	27.1
283.20306	2.2
285.22491	1.6
289.21494	2.9
291.23151	1.7
297.17081	2.3
297.21976	1.7
299.23618	3.2
301.16422	21.3
301.21585	3.9
303.17880	1.5
303.23199	4.1
315.17957	20.8
315.23138	4.2
317.24670	4.4
333.19113	1.9
333.24161	4.5
335.25763	85.2
336.26129	7.6
353.24475	1.8
363.25363	1.5
371.25977	1.6
375.25388	2.2
377.26807	3.3
389.26947	3.1
433.30878	4.7
445.20682	2.9
451.31906	6.4
469.33142	5.4
487.33801	4.0
489.35562	9.6
501.35611	10.5
515.37115	3.1
519.36847	2.3
525.35687	12.6
533.38452	3.0
543.36719	68.4
544.37134	8.5
561.37781	47.1
562.37933	5.0
575.39374	36.6
576.39587	3.8
579.38654	6.9
593.40082	5.5
687.40466	3.1
705.41705	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	790.491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.4
55.05500	40.0
55.36130	0.5
57.03145	1.1
57.03430	18.7
57.07072	3.6
58.87691	0.5
59.04989	32.3
60.00866	0.6
61.02921	3.7
64.02315	0.6
65.03922	4.1
65.38240	0.5
67.05492	100.0
68.05845	1.7
68.73672	0.7
69.03419	6.8
69.07058	16.4
69.07413	1.1
71.01344	1.2
71.04982	11.5
71.08623	1.8
71.78944	1.4
73.02895	2.2
79.05480	45.8
80.05827	1.2
81.03405	9.9
81.07041	59.1
82.07390	1.7
82.62602	0.6
83.04967	6.3
83.08603	16.7
85.02889	6.4
85.06536	4.0
85.10181	0.8
86.09711	2.6
87.04453	43.7
89.06028	1.8
91.03954	1.6
91.05465	26.3
92.05803	1.3
93.07027	44.5
94.07387	1.0
95.04964	8.9
95.08592	38.2
97.02883	4.7
97.06519	4.8
97.10152	16.3
98.10479	0.7
99.04440	17.0
99.08092	2.2
101.06011	1.6
103.05444	0.7
105.07008	19.3
105.07697	1.1
107.04947	2.6
107.08572	27.6
108.08926	1.2
108.22894	0.6
109.02864	1.1
109.06506	4.0
109.10136	51.2
110.10478	0.8
111.04417	3.4
111.08088	3.3
115.03924	2.0
115.05454	0.9
117.07002	6.5
119.08558	17.2
121.06519	1.1
121.10120	17.3
121.10934	0.9
122.10429	0.7
123.08062	2.1
123.11690	4.6
124.99984	1.4
125.06006	0.9
125.09611	16.2
127.03935	2.0
129.05417	0.8
129.06970	3.0
131.08534	11.9
133.06476	1.1
133.10109	9.2
135.08032	1.0
135.11662	11.4
137.09599	3.0
137.13277	1.1
143.08557	2.2
143.10725	1.8
145.10107	9.4
147.08087	0.7
147.11676	7.4
148.12117	0.7
149.09605	3.7
149.13203	6.0
151.11176	0.9
151.14777	0.6
152.57809	0.8
153.09183	0.8
153.12711	1.0
155.08554	1.3
155.10573	2.9
157.10136	2.1
157.12213	0.8
159.11668	5.4
161.13245	4.3
163.11124	4.7
163.14816	2.5
165.12782	1.2
165.81909	0.6
171.11725	1.9
173.04475	1.0
173.09561	1.2
173.10211	1.0
173.11757	15.0
173.13261	3.7
175.11203	1.7
175.14839	2.1
177.16426	1.0
181.12260	1.2
183.11728	1.7
184.07321	8.2
184.08607	0.7
185.13315	1.9
187.14865	2.1
189.11227	1.3
191.10736	2.1
193.12285	2.4
197.13370	1.0
199.13245	8.6
199.14769	1.2
201.16388	0.9
205.12354	0.6
209.11790	2.3
211.13263	1.0
217.14386	2.0
223.13373	1.8
225.14726	0.9
227.12709	7.9
229.14304	37.3
241.14291	3.9
241.19547	1.0
243.21114	3.5
257.13748	1.4
259.20605	1.7
261.22064	11.2
261.24582	0.7
267.15878	7.0
268.16415	0.8
275.19879	3.0
276.20343	1.4
277.21716	2.4
283.15662	1.5
289.21536	1.3
315.17999	7.0
317.24808	1.3
328.57059	0.7
333.19052	1.4
333.24359	0.9
335.25757	60.5
336.26172	4.7
337.26883	1.6
349.23892	2.2
351.25320	1.3
363.25217	3.2
389.26947	0.7
430.64929	0.6
451.31943	1.2
459.34875	1.6
477.35675	16.1
489.35696	38.6
490.36169	1.7
525.35535	0.9
527.37231	1.2
529.38202	1.6
531.40698	3.0
543.36230	3.0
545.38562	0.8
561.38306	2.5
575.39038	3.5
593.40607	2.6
610.45142	3.9
613.47870	2.9
628.46350	1.3
631.48969	1.6
654.40741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	18.0
55.05499	36.9
57.03186	1.8
57.03424	21.1
57.07055	2.8
59.04978	2.3
59.46986	1.2
61.02908	6.3
65.03922	6.5
66.04696	1.2
67.05492	100.0
69.03413	14.5
69.07054	54.8
71.01322	3.5
71.04639	1.3
71.04984	11.5
71.80650	1.4
71.81120	2.3
73.02886	5.0
79.05477	69.8
81.03402	75.8
81.07039	91.1
83.04491	2.0
83.04965	29.6
83.08604	31.5
85.02884	27.9
85.06512	6.4
86.09675	5.2
91.03928	2.5
91.05461	88.1
93.07024	69.2
95.04943	42.5
95.07984	2.8
95.08583	51.6
97.02878	12.3
97.06511	25.2
97.10162	11.9
99.04414	2.7
99.08065	4.8
101.05990	1.9
103.05434	2.1
105.03370	14.1
105.04468	2.2
105.07010	66.7
107.04935	23.8
107.07888	2.4
107.08572	35.6
109.02861	3.0
109.06496	14.3
109.10131	34.4
111.04411	4.0
111.08057	17.1
113.05968	4.3
115.05412	4.3
116.04671	1.5
117.06989	17.1
119.04913	2.3
119.08559	46.7
120.08050	2.9
120.08828	1.7
121.02813	2.7
121.06493	6.5
121.10130	22.1
123.04433	1.7
123.08044	10.2
123.11652	5.2
125.09577	7.1
127.03885	4.6
127.07508	1.7
128.06174	2.4
129.05493	6.2
129.06973	18.6
131.08554	29.6
133.06435	5.4
133.10095	37.0
134.10359	1.7
135.08035	9.0
135.11668	12.4
136.07590	1.9
137.02313	1.4
137.05946	1.5
137.09590	17.4
139.07445	3.2
139.11118	1.8
141.06966	2.4
142.07733	3.1
142.49265	1.3
143.06967	1.8
143.08499	4.7
145.02756	2.9
145.04886	1.5
145.06505	1.9
145.10094	16.9
147.04387	1.4
147.08031	6.3
147.11661	28.5
148.12112	1.5
149.09589	24.6
149.13197	6.8
151.03981	1.2
151.11177	7.2
153.08965	1.5
155.08511	2.8
155.10629	2.5
157.08788	2.9
157.10083	20.8
159.11665	10.6
161.09575	3.5
161.13219	4.7
163.07506	1.7
163.11145	12.0
165.09038	2.4
165.12711	2.3
169.10086	3.2
171.10265	1.4
171.11641	5.0
173.09605	2.3
173.11674	8.6
173.13184	5.0
175.11162	19.5
177.05414	6.1
177.12697	3.1
179.14236	3.6
181.12187	3.5
183.11679	1.6
184.07321	10.4
185.13232	2.5
187.14880	1.3
189.11122	3.5
189.12685	1.9
191.10677	1.6
193.12209	57.4
195.13780	2.3
197.13324	1.6
199.13348	1.4
209.11629	3.5
211.13245	62.3
217.15866	1.7
223.13277	3.1
227.12740	8.0
229.14316	8.5
229.19437	2.8
239.17889	1.5
243.15778	2.9
245.19046	1.5
247.20360	1.6
249.14822	2.2
251.16310	1.8
253.14314	9.8
254.07921	3.1
255.15860	5.3
257.18881	6.2
259.20474	2.2
261.09085	3.7
267.15854	35.0
269.17392	9.7
273.18420	6.4
275.20029	33.5
283.15295	5.0
285.13831	2.5
285.16901	44.2
289.08524	2.5
289.17856	1.6
291.19409	10.0
293.21014	1.9
299.14783	2.1
301.16516	7.4
306.11209	7.5
321.23932	2.2
331.22488	2.2
333.24286	2.6
347.21915	2.1
349.23651	41.6
363.21701	1.5
365.23221	5.3
366.23352	1.4
381.22681	3.7
421.25659	4.6
423.27280	2.6
435.27228	2.0
439.26874	13.1
444.14032	2.1
447.27420	2.0
452.27719	2.9
453.28174	4.3
463.31323	6.8
465.28400	3.1
469.28244	1.5
477.28271	5.8
479.30099	3.1
481.27350	1.8
495.29178	5.8
539.33661	2.3
541.35004	13.1
557.34528	12.2
559.28082	2.6
559.36139	35.5
575.35406	6.6
577.36835	4.6
593.36444	2.4
789.76648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	13.3
55.05502	34.6
57.03427	33.1
57.07054	4.1
59.04982	3.1
61.02916	7.4
65.03940	5.2
67.05492	83.7
69.03415	17.9
69.07056	50.9
69.97534	6.5
70.32568	1.0
71.01340	2.3
71.04983	27.5
71.08615	2.5
73.02907	6.5
73.06534	1.0
77.03889	1.3
79.05479	77.4
81.03403	62.9
81.07042	100.0
83.01324	4.4
83.04490	2.0
83.04966	30.5
83.05462	1.8
83.08607	33.2
85.02367	1.7
85.02888	31.2
85.06538	7.6
87.04455	1.0
91.03945	2.3
91.05464	73.2
92.05743	1.0
93.07029	77.8
94.07326	1.3
95.04953	37.2
95.08589	40.7
97.02880	14.6
97.06515	78.6
97.10158	9.0
99.04417	4.4
99.08055	8.2
101.02355	1.2
103.05442	1.8
103.06413	1.1
105.03385	1.4
105.04514	2.1
105.07011	53.0
107.04941	20.9
107.08574	42.0
108.08907	1.1
109.02853	5.3
109.06499	27.8
109.10140	21.5
111.04429	5.1
111.08059	19.2
113.05975	4.0
114.60571	1.0
114.91938	0.9
115.03901	2.4
115.05428	3.0
115.07552	21.5
116.06171	1.3
117.06991	21.8
119.04919	1.7
119.08558	40.0
121.06474	11.3
121.10122	24.2
123.04381	2.8
123.08045	11.4
123.11680	5.5
124.99911	1.4
125.05977	3.1
125.09605	7.6
127.03874	6.7
127.07552	2.5
128.06227	3.3
129.05498	2.4
129.06963	18.7
131.04904	1.6
131.08543	33.5
133.06493	5.9
133.10101	33.5
135.08020	14.2
135.11665	17.0
137.05975	1.3
137.09572	6.0
139.07542	1.5
139.11115	1.6
141.07011	2.2
142.07762	3.9
143.08542	7.6
145.04994	1.4
145.06433	4.4
145.10097	25.6
147.05804	1.0
147.08041	8.2
147.11668	21.5
149.09589	15.1
149.13210	11.7
151.11163	3.1
153.01814	2.9
153.09062	1.4
153.12721	2.9
155.08455	4.8
157.06505	1.0
157.10095	20.2
159.08020	3.9
159.11690	12.1
161.09595	6.4
161.13228	3.1
163.06087	0.9
163.11150	21.6
165.09113	1.6
165.12704	4.0
169.10077	3.7
171.11655	6.1
173.03192	1.0
173.04440	6.2
173.09628	4.9
173.11772	2.2
173.13228	2.9
175.11143	12.8
177.05467	1.1
177.09062	1.2
177.12782	4.8
181.10046	1.1
181.12207	2.5
183.11627	2.3
184.07309	2.2
185.09576	1.6
185.13223	4.1
187.11145	2.0
189.11183	3.3
189.12762	1.6
189.16318	1.7
191.10689	3.8
191.14293	1.2
193.12213	33.9
195.11636	2.4
195.13789	4.3
197.13179	1.5
199.11217	1.2
199.14784	3.0
201.12819	1.1
203.14282	2.2
207.68359	1.0
209.11655	3.9
211.13258	43.7
213.14693	1.1
215.14441	1.2
217.15855	8.9
219.13751	1.6
221.15285	1.9
227.12727	10.4
227.17874	2.2
229.14308	8.4
233.15349	2.5
237.16420	1.1
239.17888	1.5
241.10747	1.5
245.18898	4.5
249.14886	1.6
251.16406	2.4
253.14151	5.0
255.17633	4.7
257.18958	2.7
263.19971	1.3
265.14276	1.0
267.15881	20.8
269.04395	2.2
269.17435	25.5
270.17572	1.2
273.18448	28.7
275.20035	14.0
283.15347	47.9
284.15720	1.2
285.16925	46.4
287.05356	1.2
291.19458	19.3
293.21069	3.2
297.03848	4.7
297.17047	1.8
303.15811	1.1
307.18936	2.8
313.21561	1.3
327.04910	4.8
329.06558	1.5
329.21118	1.3
331.22644	1.3
339.04813	1.2
343.04413	21.1
345.92975	1.1
347.22055	11.9
349.23679	12.9
365.23154	12.7
367.24854	7.4
383.24161	1.3
437.25284	15.9
438.25677	1.0
443.27725	1.5
447.27542	1.9
453.24817	2.2
459.27408	2.1
461.29010	11.5
464.17700	1.5
465.28751	3.4
474.10229	1.4
477.28369	48.6
478.28549	2.3
479.10037	1.9
479.16995	27.0
479.29947	23.6
483.31149	1.9
497.17801	6.8
499.30188	2.7
502.42303	1.1
507.29358	2.0
517.31329	2.4
539.33484	6.4
557.34656	39.5
558.34821	3.4
575.26862	1.7
575.35724	28.6
593.36761	6.5
604.06726	1.2
621.32562	1.2
737.39313	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	8.4
55.05264	1.3
55.05500	14.9
57.03428	7.6
57.07052	2.1
61.57836	0.7
65.03905	2.6
67.05489	41.4
69.03400	1.5
69.07052	22.3
70.13226	4.2
71.04966	1.6
71.08630	1.1
77.03882	0.7
79.05478	35.3
80.99593	0.7
81.03408	4.3
81.07040	50.7
83.04959	3.9
83.08611	6.4
85.06521	2.2
86.09686	2.8
87.09979	0.7
91.05460	39.3
93.07024	39.9
94.04220	0.7
95.01311	5.2
95.04949	8.1
95.08588	31.2
97.06511	15.7
97.10153	3.1
98.20695	1.1
99.08065	1.0
101.21268	0.8
103.05441	1.5
105.07008	45.8
107.04936	8.6
107.08570	18.9
109.06503	5.6
109.10114	10.3
111.08049	1.9
115.05405	0.8
117.06996	12.0
119.08556	24.6
121.06459	2.4
121.10128	11.6
123.04404	1.2
123.08053	2.8
123.11664	2.7
124.99998	2.8
125.09615	1.3
125.58246	0.7
128.06175	1.1
129.07008	2.1
131.08534	16.9
133.08566	1.2
133.10103	24.0
135.08040	3.0
135.11656	7.6
137.09595	1.8
137.13216	0.7
139.07510	1.0
143.08534	2.1
145.06448	1.2
145.10088	11.3
147.11662	11.4
149.09569	3.3
149.13232	3.2
155.08556	1.2
157.10085	2.6
159.11641	7.4
161.13235	3.9
163.11157	1.6
163.14748	1.2
165.09123	1.2
169.10086	1.4
171.11729	1.6
173.13251	2.8
175.11172	0.8
175.14786	1.0
177.12767	1.8
179.14229	6.3
183.11653	1.2
184.07310	7.8
185.13216	1.7
187.11176	1.0
187.14738	1.2
188.02431	0.8
197.13284	1.3
201.16339	1.3
203.14272	1.0
219.14125	1.2
219.17400	24.4
220.17474	0.7
229.19525	0.8
239.17984	1.0
247.17467	0.7
247.20570	1.3
257.19022	3.2
261.22037	1.2
274.31131	0.7
275.20001	39.4
276.20294	1.1
293.21063	3.1
335.25748	59.0
336.26151	1.7
349.23672	20.1
406.88208	0.9
501.72900	0.7
609.45007	100.0
610.45245	7.0
622.56219	0.8
708.81299	0.7
746.32037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	0.8
57.03357	0.8
57.06992	0.7
57.07245	0.3
61.02866	0.3
67.05415	2.4
68.99712	0.8
69.03342	0.7
69.06979	1.0
70.06498	0.7
70.35031	0.2
71.04903	5.4
71.05326	0.5
71.78996	0.3
73.02819	0.3
75.04369	0.3
79.05400	1.0
81.03316	0.9
81.07040	2.5
81.43336	0.2
83.04880	0.8
83.08527	0.4
85.02804	6.0
86.09637	0.5
91.05368	0.9
93.06940	0.8
95.04913	0.5
95.08604	1.2
97.02779	0.6
105.06926	0.8
107.04893	0.3
107.08472	0.7
109.06350	0.2
109.10041	0.6
111.00690	0.9
111.04326	0.3
117.06924	0.2
119.08467	0.6
121.10058	0.4
123.11596	0.3
124.99848	0.3
126.92400	0.2
127.03825	0.6
129.05472	1.2
129.06859	0.3
131.08536	0.3
133.10068	0.3
135.11624	0.3
139.03828	0.6
142.35228	0.3
145.06294	0.2
145.09952	0.3
147.04315	0.4
147.06380	0.4
153.01796	5.1
157.06351	0.3
161.05878	0.3
161.13231	0.2
163.03822	0.5
163.11119	0.3
165.01836	1.5
171.04311	0.3
173.05937	0.3
179.03252	0.2
183.02831	0.2
184.07297	1.1
185.05888	0.3
187.03798	0.4
197.05984	0.4
199.03854	1.8
201.05235	0.4
203.03294	0.4
209.75327	0.3
211.03830	0.3
211.07394	0.6
213.05463	1.2
215.03419	0.3
216.04184	0.3
223.07465	0.3
225.05347	0.5
225.09116	0.3
227.03368	1.5
227.06981	0.5
229.04860	0.4
231.02892	0.3
237.05353	0.4
239.03374	0.9
239.06941	0.6
240.04071	0.3
241.04973	1.1
253.04980	2.0
253.07310	0.3
253.08572	0.3
255.06418	0.5
257.04425	0.5
265.04843	0.2
266.05585	0.6
267.03397	0.3
267.06458	2.2
269.04379	0.6
270.05078	0.3
271.02493	0.3
271.05884	0.6
273.03821	0.3
277.04965	2.1
278.05560	0.6
279.06424	0.7
280.07413	0.2
281.04672	1.2
281.07498	0.3
282.05032	0.3
283.15189	0.5
284.03177	0.4
285.03647	0.3
287.05365	0.8
289.04810	0.3
290.05322	0.2
293.04416	2.5
294.05087	1.1
295.05951	3.2
297.03867	1.5
297.07281	0.5
299.05463	0.4
305.04443	0.7
306.05179	16.2
307.05954	2.5
309.03812	1.1
309.14859	0.4
311.05524	1.2
313.03275	0.5
315.04855	0.5
319.05972	0.5
321.03998	0.4
322.01230	0.4
322.04694	3.0
323.05472	4.9
323.16281	0.3
324.05820	0.4
325.03293	1.9
325.06952	1.1
326.03970	0.3
327.04880	0.8
329.06726	0.3
329.17352	0.8
333.03714	0.3
334.04446	0.4
335.05420	0.8
337.03336	2.4
337.06976	0.4
337.14203	0.6
339.04971	1.8
341.06415	0.7
347.05380	0.4
350.04053	1.9
351.04938	11.2
351.08603	0.5
351.15863	0.9
352.05087	0.3
353.06528	7.6
354.07285	0.4
355.08109	0.3
357.16953	0.6
361.06775	0.5
365.06436	0.4
365.17123	0.4
367.08160	0.5
379.07968	0.9
379.19315	0.3
393.09830	0.6
397.16357	1.4
407.11368	0.3
407.18729	0.6
419.18481	8.7
420.18756	0.3
421.16431	0.2
432.15573	0.3
435.18021	5.3
445.16406	0.3
453.19211	1.3
463.17450	100.0
464.17853	4.2
477.19135	0.5
480.19812	0.3
481.18521	34.3
482.18927	1.4
495.20175	0.4
574.34698	0.5
619.70056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.2
56.05017	0.7
57.07045	0.1
58.06607	0.6
59.07378	0.2
60.08151	6.6
67.05481	0.2
68.24946	0.1
69.07050	0.2
69.62457	1.0
70.06568	0.3
71.07355	3.3
71.08610	0.1
79.05478	0.1
81.07021	0.4
86.09686	31.6
87.10015	0.2
87.19169	0.1
88.58720	0.1
91.05452	0.2
93.07030	0.2
95.08604	0.2
98.20747	0.2
98.98437	3.2
104.10719	3.0
105.06993	0.2
112.27325	0.1
114.09161	0.2
116.85344	0.1
116.99454	0.1
119.08532	0.2
121.10076	0.1
121.11641	0.1
124.99976	21.3
136.06139	0.2
143.01004	0.4
160.09711	0.3
166.02608	0.3
184.07303	100.0
185.07634	0.7
197.62798	0.1
203.09160	0.1
213.14465	0.1
496.33969	0.2
650.44867	0.1
690.46906	1.5
730.49713	0.2
752.51624	0.2
770.53082	0.7
788.54199	4.6
789.54388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
55.05259	1.0
55.05501	12.1
57.03421	7.3
57.07054	1.2
63.63976	0.6
65.03918	1.7
67.05491	30.2
69.03413	3.2
69.07050	9.3
71.04983	4.4
71.08629	0.6
71.70991	0.9
72.59732	0.6
74.62315	0.6
78.31010	0.6
79.05479	27.9
81.03403	39.4
81.07038	34.4
82.07362	0.7
83.04962	8.1
83.08603	13.4
85.02888	8.8
85.06510	1.3
86.09708	1.2
91.05461	22.0
93.07025	28.4
94.07346	0.7
95.04953	15.1
95.08588	19.9
97.02868	3.1
97.06505	3.4
97.10168	3.2
99.04371	0.8
99.08054	0.9
105.04435	0.7
105.07008	18.6
107.04987	3.2
107.08566	14.8
109.02844	0.9
109.06493	2.6
109.10138	6.8
111.04426	2.3
111.08070	5.8
113.05979	1.4
115.05425	0.9
117.07000	4.2
119.04938	0.7
119.08561	12.9
121.06468	1.7
121.10119	13.8
123.08031	2.4
123.11696	2.4
125.00048	0.9
125.09620	1.3
129.05481	1.4
129.06981	5.7
131.08537	10.0
132.08817	0.6
133.06471	2.0
133.10092	8.0
134.50754	0.5
135.11682	5.1
137.09589	1.0
137.13184	0.7
142.07761	0.8
143.08540	1.7
145.10085	4.6
147.08031	2.2
147.11664	8.7
148.19049	0.6
149.09584	2.6
149.13234	2.3
157.10075	7.1
159.11707	2.7
161.13271	1.7
163.11237	0.9
163.14896	1.0
165.12769	2.1
173.04478	0.8
173.13318	1.6
175.11153	6.1
179.38522	0.6
184.07271	3.7
185.13245	0.6
187.14757	1.5
189.11269	1.0
193.12193	17.2
211.13246	17.1
211.15085	1.0
226.93494	0.6
227.12775	2.1
229.14320	0.9
235.17189	0.5
243.21075	1.3
249.14772	1.6
261.22104	2.8
267.15872	12.3
268.16321	0.9
274.19345	0.6
275.20020	0.9
285.16962	5.0
297.79877	0.6
301.25131	1.0
317.24789	1.1
335.25754	17.1
336.26205	1.7
355.17578	0.8
357.58820	0.8
429.21060	7.4
453.33514	1.0
471.34811	1.0
527.37256	6.5
528.37341	1.0
545.38300	100.0
546.38531	9.2
603.60504	0.7
653.40070	1.0
671.42706	0.7
687.55872	0.7
689.42438	6.2
690.42377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
55.05260	1.3
55.05501	15.8
57.03420	8.6
57.07062	1.6
62.06054	0.8
65.03918	2.4
67.05489	44.1
68.05819	0.9
69.03410	3.8
69.07056	11.6
70.19745	0.8
70.89425	2.7
71.04967	3.6
79.05009	1.8
79.05475	33.9
81.03403	47.8
81.07037	42.8
83.04963	9.0
83.08601	19.0
85.02886	12.0
85.06535	2.0
86.09673	2.9
91.05459	26.1
93.07022	38.5
94.07341	1.3
95.04950	21.2
95.08586	26.3
95.73251	0.7
96.08899	1.0
97.02860	4.3
97.06511	4.0
97.10165	4.8
98.52367	0.7
99.04439	1.5
99.08070	1.0
103.05399	1.0
104.10728	0.9
105.07007	21.1
107.04940	3.7
107.08575	19.6
109.02839	2.3
109.06519	4.5
109.10143	11.6
111.04409	3.0
111.08080	6.6
113.05965	1.2
114.09124	1.8
115.05417	1.4
117.06982	5.0
119.08555	17.0
121.06488	2.2
121.10115	16.8
123.08047	2.6
123.11683	3.7
124.99976	2.5
125.09617	2.0
127.03888	1.6
128.06152	1.0
129.05484	1.4
129.06978	6.8
131.08530	13.2
133.06454	1.6
133.10101	10.2
135.08102	1.0
135.11664	10.4
137.09595	1.6
137.13249	1.4
137.75035	0.9
142.07695	0.9
143.08502	0.9
145.10069	6.6
147.08028	2.2
147.11664	11.1
149.09587	3.6
149.13231	3.1
151.11104	0.9
157.10112	9.2
157.71942	0.9
159.11647	4.4
160.09666	1.9
161.13219	2.5
163.11108	1.4
165.12698	3.3
171.11639	1.7
173.04256	0.8
173.13185	4.0
175.11174	9.7
184.07323	8.0
187.14822	1.3
193.12204	18.7
205.12349	0.9
211.13242	16.3
225.14767	1.0
227.12717	1.7
229.14240	1.2
243.21104	2.0
253.08702	0.8
261.22101	5.9
267.15854	22.4
268.16296	1.1
273.18582	0.7
275.20255	1.1
285.16870	5.0
309.17072	1.2
316.52203	0.8
317.24438	1.1
335.25726	39.9
336.26053	2.1
381.40482	0.9
429.21313	6.9
435.32520	1.4
438.24048	0.9
453.33545	1.9
527.37219	13.0
528.36731	0.9
545.38281	100.0
546.38538	6.0
611.85785	0.9
671.41010	1.1
689.42261	9.2
690.41730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.5
55.05503	9.4
57.03431	6.2
57.07057	0.8
58.16381	0.5
59.04964	0.5
60.08150	0.5
61.02913	0.9
65.03938	1.3
67.05125	1.1
67.05494	21.8
68.05824	0.5
69.03421	1.7
69.07057	14.2
70.59615	1.4
71.04977	3.2
73.02880	0.8
73.06530	0.5
77.03934	0.6
77.91789	0.5
79.05009	0.7
79.05482	19.6
81.03406	32.0
81.07044	26.4
82.07401	0.8
83.04958	5.6
83.08611	9.2
85.02889	2.0
85.06506	0.8
86.09704	1.1
91.05468	27.4
93.07029	17.8
94.07392	0.8
95.01315	3.3
95.04961	12.5
95.08590	14.1
97.02889	2.1
97.06517	10.3
97.10166	2.8
99.08086	0.9
103.05447	1.0
105.03365	1.0
105.07016	34.0
105.91222	0.5
106.07350	0.8
107.04945	8.3
107.08579	10.6
109.02839	0.9
109.06512	4.2
109.10150	5.9
110.10494	0.5
111.04440	1.3
111.08075	3.5
113.06011	1.1
115.05460	1.5
117.06990	7.2
119.04921	0.8
119.07706	1.1
119.08562	18.5
120.08925	0.6
121.06453	2.4
121.10138	6.1
123.04398	1.0
123.08047	2.8
123.11608	1.3
125.00005	0.6
125.09621	1.5
127.03891	0.7
128.06207	0.7
129.05466	0.6
129.06972	5.5
131.08553	13.3
133.06502	1.4
133.10114	19.6
135.08035	2.1
135.11670	3.9
137.09602	2.0
139.11147	0.6
141.06949	1.3
142.07785	0.9
143.08545	2.1
145.06433	1.2
145.10112	9.0
147.08057	1.8
147.11670	9.2
149.09579	4.5
149.13245	2.3
151.11182	1.7
155.08557	1.5
157.10092	6.2
159.07980	0.8
159.11679	5.2
161.09627	1.1
161.13261	1.8
163.11166	2.6
165.09151	1.1
165.12766	0.8
167.08551	0.7
169.10097	1.5
171.11690	1.4
173.13249	1.9
175.11171	3.9
175.14725	0.9
177.12759	1.3
179.14290	5.0
181.10109	0.5
183.11575	0.7
184.07361	3.6
187.11180	0.9
187.14909	0.8
189.12833	0.6
193.12210	7.0
195.13715	0.8
197.13231	0.9
199.14897	0.5
211.13266	1.4
219.17438	1.7
239.18037	0.6
247.20621	0.6
249.14970	0.7
253.14368	2.1
257.18982	1.9
267.15878	42.4
268.16269	0.9
273.18420	1.3
275.20032	21.3
275.22986	1.2
276.20474	1.3
283.15405	1.5
285.17065	1.5
291.19614	1.5
293.21075	1.7
301.16504	1.1
349.23697	15.9
365.23328	1.1
451.28485	0.5
461.29379	0.9
465.27957	0.6
474.59665	0.6
479.29684	0.9
479.65747	0.7
514.35938	0.8
529.38550	0.8
538.06238	0.6
541.35193	100.0
542.35577	5.2
559.35901	3.6
573.33875	1.0
583.36011	1.2
591.35596	1.3
608.43781	1.4
611.45422	0.8
625.44763	0.7
626.44550	2.5
788.50378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	8.2
55.05266	0.8
55.05503	13.4
57.03426	12.7
57.07043	1.2
59.04965	1.3
61.02922	3.7
63.54713	0.6
65.03915	2.2
67.05492	29.3
68.99754	0.7
69.03416	9.2
69.07055	22.5
71.01324	1.6
71.04983	11.5
71.79101	0.9
72.55621	0.6
73.02882	2.9
78.43584	0.7
78.93600	0.6
79.05477	32.3
81.03404	21.4
81.07041	31.9
81.07525	1.4
83.01334	3.7
83.04963	13.9
83.08604	9.8
85.02892	9.9
85.06519	2.9
86.09675	1.3
91.03928	1.1
91.05465	35.6
93.07026	33.7
93.07521	0.5
93.07628	0.9
94.12259	0.7
94.12943	0.7
95.04948	12.9
95.08586	16.9
97.02882	7.4
97.06512	47.9
97.10136	3.1
98.06896	0.6
99.04468	3.4
99.08057	2.3
103.05436	1.6
105.03351	2.1
105.07015	19.8
107.04941	10.9
107.08577	19.4
109.02836	3.1
109.06497	11.5
109.10143	8.1
111.04401	3.0
111.08066	8.2
113.05970	2.5
115.05421	1.7
115.07556	11.9
117.06998	10.0
119.04900	2.1
119.08566	13.2
121.02839	19.8
121.06462	6.2
121.10124	9.0
123.04427	1.6
123.08064	5.4
123.11661	2.1
125.05950	1.3
125.09578	1.8
127.03896	4.3
127.07518	1.3
128.06206	1.9
129.05449	1.7
129.06981	6.5
130.07693	1.3
131.08534	12.3
133.06465	2.9
133.10106	14.8
135.04379	1.3
135.08003	6.0
135.11668	7.0
137.05991	1.0
137.09573	2.7
141.07033	0.9
142.07716	1.1
143.08536	5.0
145.06441	2.4
145.10088	13.4
147.04269	0.8
147.08000	4.1
147.11647	4.2
149.09599	4.7
149.13211	3.3
151.11140	3.8
155.08501	2.3
157.10120	3.5
159.07991	2.7
159.11653	4.1
161.09642	4.0
161.13155	1.6
163.11157	13.3
165.09041	1.2
165.12721	1.3
169.10085	1.2
171.11662	1.9
173.04417	3.6
173.09521	3.4
173.13226	1.4
175.11189	3.6
177.09148	0.9
177.12692	2.9
179.10519	1.0
181.12230	2.9
183.11678	0.9
184.07310	2.6
185.13196	1.3
187.11108	1.3
187.14845	0.8
189.11197	1.6
191.10603	1.6
193.12209	5.4
195.11761	1.0
195.13722	2.0
197.13278	1.2
199.11267	1.0
199.14709	1.1
201.12784	1.1
209.11670	3.5
209.13289	0.7
211.13251	5.7
215.14423	1.2
217.15811	3.9
219.13780	0.7
219.41319	0.8
220.07463	1.6
221.11658	0.9
221.15245	0.8
222.38142	0.7
224.12372	0.7
227.12766	5.2
227.17874	1.4
231.13696	0.7
233.15347	2.8
238.08588	100.0
239.08913	5.3
241.10710	1.2
245.18929	2.1
247.78787	0.8
249.14667	0.9
253.14270	7.1
255.17566	1.6
261.18631	0.9
263.19937	1.0
267.15842	4.0
269.17392	8.1
271.16818	1.1
273.18439	15.5
275.19965	1.0
283.15359	37.7
284.15585	1.4
285.16919	6.0
289.17938	5.5
291.19528	9.6
299.14740	1.7
307.18915	5.9
309.20776	0.7
311.19934	1.1
329.21027	1.0
339.17932	1.4
345.20514	1.1
347.22186	5.5
363.21518	2.1
365.23145	5.8
381.22733	4.6
459.27261	1.3
463.17401	1.1
463.27127	3.2
477.28415	19.6
479.26358	1.1
499.30255	1.1
503.29999	1.3
505.27829	2.0
515.29803	3.0
537.31897	1.0
555.33209	8.2
573.34222	13.9
591.35217	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	787.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	18.9
55.05500	27.0
56.05820	1.2
57.03428	12.9
57.07055	3.4
59.04987	2.7
61.02935	2.4
63.61485	1.2
65.03931	4.0
67.05492	86.8
68.05818	4.6
69.03414	3.1
69.07055	43.0
69.46069	13.2
71.04976	5.0
79.05478	58.4
80.05804	3.2
81.03404	11.2
81.07040	75.4
82.07379	3.7
83.04960	9.4
83.08598	11.6
85.02889	6.2
85.06501	2.9
87.04436	1.3
91.05462	76.3
92.05782	2.0
93.07025	61.1
94.07349	3.0
95.01315	7.6
95.04958	14.5
95.08588	51.2
96.08891	1.9
97.02872	4.3
97.06516	30.6
97.10145	5.4
98.06833	1.3
99.04431	1.3
99.08074	2.6
103.05476	2.4
105.07011	100.0
106.07340	2.6
107.04932	19.5
107.08574	34.6
108.05202	1.0
109.06482	7.3
109.10139	31.5
110.10477	5.4
111.04360	2.1
111.08082	5.0
113.09577	1.2
114.42839	1.2
115.05438	2.3
115.17728	1.1
117.06990	22.2
118.99699	1.2
119.08561	57.9
119.85691	1.0
120.08916	2.4
121.06486	5.6
121.10123	19.8
122.10432	2.7
123.04346	1.4
123.08053	5.7
123.11691	4.5
125.09612	4.3
129.06973	11.7
130.07771	1.6
131.08539	30.5
133.06456	1.8
133.10101	57.3
134.10512	2.3
135.08067	3.6
135.11673	15.6
137.09576	4.7
137.13307	1.6
139.07538	2.2
141.06982	2.9
142.07686	1.4
143.08554	10.1
145.06474	4.4
145.10095	26.7
146.10542	1.5
147.08078	1.7
147.11650	26.4
148.12007	1.6
149.09586	7.6
149.13211	6.8
151.11266	1.2
155.08556	4.0
157.10109	10.6
159.11659	23.7
160.12054	1.1
161.09616	1.6
161.13213	15.8
163.11206	4.1
163.14870	1.5
165.09109	1.9
167.08542	1.1
169.10080	6.5
171.11646	10.4
173.11734	6.2
173.13251	11.4
174.12137	2.2
175.11147	2.1
175.14784	6.2
177.12761	4.1
179.14287	10.2
181.10071	1.5
183.11693	4.3
184.07370	1.4
185.13214	6.4
187.11177	4.6
187.14745	3.6
189.12753	1.6
189.16475	1.5
191.14299	1.7
195.11653	1.8
197.13275	4.5
199.14844	4.2
201.12708	1.1
205.12131	2.2
207.11758	1.8
209.13306	2.2
213.16411	2.1
215.17943	1.5
217.19362	1.1
219.17322	1.3
223.13255	4.0
224.13597	1.8
225.50087	1.4
227.17813	1.5
229.14296	19.6
230.14682	6.6
231.17172	1.4
231.21111	3.1
239.17989	2.6
241.14207	2.2
241.19502	15.5
243.21120	2.5
253.13968	1.2
257.18896	7.6
259.20547	18.7
261.22104	4.4
262.22430	3.3
273.18445	2.8
275.20010	58.2
276.20468	1.6
277.21527	2.1
279.15924	3.1
283.25381	1.4
293.21136	4.2
297.16870	7.0
297.21997	1.8
298.17404	3.0
315.23093	9.6
333.24173	40.0
334.24356	1.5
335.25745	17.2
336.26044	16.6
349.23682	39.1
435.32635	1.7
437.34164	1.9
466.34348	1.1
489.35507	5.0
490.36096	10.7
511.37506	1.6
513.35571	2.6
533.39978	1.7
551.40704	1.9
557.37793	1.3
558.38770	5.2
607.43481	62.1
608.43536	2.9
625.44489	18.0
715.45825	1.5
787.49603	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	786.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.6
55.05497	16.8
57.03427	17.5
57.04924	1.2
57.07054	2.9
59.04982	3.8
59.62605	1.1
60.05631	2.3
61.02912	2.1
65.03935	2.2
65.56853	1.3
67.05492	100.0
69.03408	2.3
69.07064	13.7
69.48701	1.0
69.56270	11.1
69.56680	2.2
71.04983	6.0
71.43925	1.2
72.02929	1.3
73.02900	1.2
79.05477	40.1
81.03408	11.8
81.07041	57.4
83.04970	3.8
83.08601	10.5
85.02892	8.3
85.06532	2.5
86.09703	2.5
91.03952	1.4
91.05462	27.4
93.07026	43.7
95.04957	9.5
95.08587	43.7
97.02867	2.7
97.06519	4.2
97.10149	3.0
98.20749	3.0
105.07009	18.4
107.04946	7.3
107.08572	23.1
107.13834	1.3
109.06505	9.4
109.10139	60.1
111.08048	3.2
117.06980	9.4
119.08558	15.7
121.06473	7.3
121.10115	18.1
123.08025	3.0
123.11698	6.0
124.99950	1.8
125.09586	3.0
128.06197	1.3
129.06981	1.7
131.08540	10.7
133.10103	11.5
135.08002	2.3
135.11662	9.1
137.09608	3.6
137.13231	2.1
141.07028	1.8
143.08530	3.1
145.10129	9.8
147.11678	5.6
149.13223	6.7
155.10622	2.1
157.10072	1.4
159.11635	8.5
161.13263	4.2
163.14841	2.3
169.10098	3.4
171.11635	2.0
173.11702	18.0
173.13232	6.6
175.14854	1.9
177.12749	3.0
184.07321	4.7
187.11168	3.3
187.14832	1.7
205.12245	2.9
218.17052	1.3
219.21097	1.3
223.13266	10.3
227.12819	4.6
229.14313	75.1
237.14906	1.8
239.15120	1.2
243.21103	5.6
244.56996	1.4
261.22070	19.2
279.15897	3.5
281.16971	1.4
297.16913	21.9
317.24677	3.0
335.25754	91.9
336.26114	1.8
367.35455	1.4
385.82181	1.3
415.31778	1.5
465.33591	2.0
483.33960	1.6
489.35684	49.2
490.35913	1.7
507.36255	2.5
539.36810	5.9
557.38379	18.9
575.39142	4.2
611.27777	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	786.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.2
55.05500	28.7
57.03436	18.1
57.07050	4.0
59.04984	2.1
65.03920	4.7
67.05495	75.9
69.03419	16.2
69.07056	17.9
69.77227	16.6
71.01284	2.0
71.04985	13.7
71.05305	2.2
79.05481	72.0
81.03403	52.0
81.06591	4.0
81.07042	68.7
82.03775	2.0
83.01338	6.2
83.04967	21.5
83.08601	21.2
85.02884	10.9
85.06530	3.6
86.09697	3.6
91.05462	46.5
93.07024	74.3
95.04952	20.9
95.08594	53.6
97.02871	13.0
97.06489	9.5
97.10152	9.3
99.04417	9.8
99.08079	2.5
105.07011	33.0
107.04948	19.9
107.08582	38.7
109.02856	9.0
109.06499	10.8
109.10146	21.6
111.04446	14.9
111.08057	8.2
117.06988	20.7
118.37936	2.2
119.08576	26.2
121.06478	5.9
121.10125	26.7
123.04395	3.9
123.08057	5.4
123.11702	4.5
124.60111	2.1
124.99996	3.1
125.09616	9.3
127.03891	11.3
129.07011	5.9
131.08563	22.2
133.10117	13.3
135.08041	4.1
135.11662	29.1
143.08571	6.2
145.10089	22.4
147.11690	9.0
149.09569	4.2
149.13252	6.0
151.11142	2.7
153.12729	14.1
155.08435	4.3
156.10672	2.0
157.10138	4.9
159.11646	7.1
161.09543	3.1
161.13229	4.9
163.11159	22.4
169.10083	3.0
171.11632	3.1
173.09575	5.5
173.13214	5.0
177.12837	2.0
181.12224	9.3
184.07291	10.9
185.13243	3.6
189.11203	3.2
191.10655	8.2
195.11725	3.1
197.13304	2.3
209.11606	3.8
223.13213	2.5
227.12724	21.5
243.20903	2.9
259.20547	4.1
261.22128	8.6
265.14307	5.7
267.15994	3.1
283.15338	17.7
299.23630	3.8
325.10129	2.4
335.25766	100.0
336.26178	3.3
344.41046	2.1
353.15805	6.0
427.19629	45.0
451.31976	3.0
458.47052	2.3
518.81989	2.1
525.35535	11.3
543.36761	76.0
544.36938	4.9
596.72589	2.2
611.85181	2.6
632.26245	2.2
669.39539	2.7
687.41022	59.1
688.40851	5.8
705.41956	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	779.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05495	1.6
57.03426	2.5
59.05001	0.4
60.08126	0.3
60.28150	0.2
61.02912	5.7
64.78351	0.2
65.03912	0.3
67.05489	5.6
69.03415	4.2
69.07062	1.3
70.94360	0.5
70.94736	0.5
71.01369	0.4
71.04646	0.2
71.04957	1.4
73.02901	4.9
79.05482	4.7
81.03392	3.7
81.07043	6.8
83.04968	1.0
83.08602	1.5
85.02884	6.4
86.09698	1.0
87.04456	0.9
91.03934	3.9
91.05463	3.4
93.07024	4.4
95.04951	1.5
95.08575	4.1
97.02873	5.7
97.06545	0.8
99.04434	1.2
99.20387	0.3
101.02360	1.9
103.03937	0.4
105.06997	2.1
107.08560	2.1
109.02889	0.9
109.06544	0.4
109.10146	1.9
111.08075	0.5
115.03934	0.4
117.07003	0.5
119.08570	1.4
121.10117	2.8
123.08060	0.4
123.11709	0.7
125.00002	0.6
125.09586	0.3
127.03912	1.2
129.06926	0.5
131.08545	1.5
133.10121	1.3
135.11694	0.8
137.13219	0.4
145.04970	0.4
145.10121	0.5
147.11606	1.3
148.86188	0.3
149.09598	1.3
149.13321	0.4
157.10144	0.4
159.11586	0.3
161.13313	0.3
173.13275	0.3
175.11148	0.7
184.07314	3.8
185.04214	0.8
185.07738	0.4
193.12303	0.9
203.05313	0.8
211.30576	0.2
243.08350	3.0
261.22229	0.5
261.41901	0.3
267.15945	0.6
283.15097	6.6
300.83456	0.3
335.25943	0.8
339.17731	0.9
469.20026	0.3
501.22980	8.6
502.23480	0.5
519.29254	7.8
519.36755	0.4
520.29810	0.6
617.39935	0.4
779.45331	100.0
780.45703	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	779.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05504	1.9
57.03428	1.9
60.04511	0.6
61.02922	4.5
67.05496	4.7
67.63808	0.5
69.03417	2.9
69.07052	1.7
70.33849	0.5
71.04980	1.3
71.09515	0.6
71.81253	0.8
73.02906	3.7
79.05470	3.6
81.03412	5.5
81.07044	4.0
83.08627	1.7
85.02885	6.6
86.09667	1.1
91.03947	3.5
91.05460	5.7
93.07037	4.2
95.04930	2.8
95.08607	2.6
97.02890	4.4
97.06531	0.8
99.04494	0.8
101.02390	1.4
105.03374	6.3
105.07024	3.4
106.03721	0.9
107.04951	1.0
107.08600	1.8
109.02877	1.0
111.08081	1.0
117.06933	0.8
119.08519	2.7
121.02865	2.3
121.10130	1.6
123.04428	2.2
124.99998	1.0
127.03901	1.2
127.81413	0.5
128.82262	0.6
129.07034	1.2
131.08577	1.7
133.02876	1.8
133.10126	1.3
135.11703	0.6
137.02290	0.5
147.11691	1.7
149.09647	0.6
151.03850	2.8
152.04286	0.8
157.10196	1.9
159.11699	0.6
175.11227	1.6
184.07329	4.5
185.07658	0.7
193.12296	1.4
243.08409	2.9
251.12534	1.2
254.08229	2.5
255.08710	1.5
256.09586	0.7
333.20480	2.0
453.21115	1.4
469.20453	13.3
482.09644	0.6
551.28369	4.8
567.30615	0.6
573.90479	0.7
655.54156	0.6
681.34961	0.6
779.41772	100.0
780.42181	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	779.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05499	1.5
57.03423	2.3
60.08142	0.4
61.02913	5.1
64.52361	0.3
65.03940	0.4
67.05492	4.5
69.03419	4.0
69.07051	1.9
70.21093	1.3
71.01332	0.6
71.04983	0.7
73.02900	3.8
79.05477	3.9
81.03394	4.5
81.07040	4.7
83.04965	1.7
83.08590	1.4
85.02886	6.7
85.06523	0.7
86.09695	1.8
87.04449	0.6
91.03947	2.3
91.05458	5.0
93.07024	3.1
95.04948	2.5
95.08584	2.1
97.02878	4.8
97.06529	0.7
97.10130	0.4
98.51604	0.2
99.04436	0.6
101.02351	1.9
103.03963	0.5
105.03371	2.9
105.07007	3.2
107.04951	0.7
107.08582	1.7
109.02860	0.9
109.06508	0.9
109.10170	0.8
111.04393	0.4
111.08072	0.9
117.07046	0.8
119.05013	0.3
119.08551	2.0
119.46278	0.3
120.08127	0.3
121.02874	1.4
121.06570	0.3
121.10155	1.3
123.04391	0.7
123.08047	0.5
123.11720	0.3
124.99992	1.3
127.03887	1.9
129.05478	0.3
129.07010	0.8
129.20084	0.3
130.44803	0.3
131.08563	1.2
133.02827	0.4
133.10092	2.0
135.04431	0.4
135.11697	1.0
137.02353	0.5
145.05000	0.4
145.10124	0.8
147.07990	0.4
147.11644	1.7
149.09627	0.4
149.13225	0.3
151.03870	0.6
151.11194	0.3
157.10133	0.9
159.11678	0.4
165.12788	0.3
175.11215	0.9
184.07318	6.0
184.08844	0.4
185.04198	0.4
185.07729	0.8
193.12181	1.9
203.05214	0.7
211.13310	0.6
221.11583	0.6
225.57593	0.2
240.09982	0.3
243.08374	3.1
251.12547	1.1
254.08084	0.6
255.08771	0.4
259.07874	0.4
285.17035	0.4
293.69858	0.3
307.15085	0.8
313.08884	0.3
327.32938	0.3
333.20193	3.2
389.22961	0.4
439.19312	1.4
453.21017	0.9
469.20355	12.1
470.21164	0.7
551.28174	5.4
552.28705	0.4
656.70514	0.4
667.33075	0.3
734.30981	0.4
779.41705	100.0
780.41913	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	778.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37631	0.7
55.01877	1.3
55.03277	0.7
55.05261	1.3
55.05504	17.2
56.06994	0.8
57.03424	14.2
57.07070	9.9
57.59675	0.7
60.08168	4.6
67.05125	1.3
67.05492	24.8
69.03412	2.2
69.07056	28.0
71.04977	2.5
71.07346	1.3
71.08614	6.1
79.05477	14.9
80.05014	0.9
81.03405	62.5
81.07042	29.3
81.07528	1.2
82.03726	1.3
82.06559	1.0
83.04969	3.3
83.08606	32.8
85.02892	1.7
85.06496	1.2
85.10152	3.9
86.09689	16.3
91.05470	12.5
93.07030	14.6
93.36427	0.8
95.04954	19.2
95.08591	23.9
97.02888	2.4
97.06514	3.3
97.10149	13.0
98.98452	1.9
99.08070	1.7
105.07014	10.2
107.04922	5.1
107.08573	9.7
109.06496	2.3
109.10139	12.9
111.04428	1.6
111.08047	7.5
111.11708	3.2
117.07018	1.9
119.08572	8.6
121.06450	1.7
121.10118	15.5
123.04440	1.4
123.08057	1.4
123.11691	3.2
124.99966	10.1
125.09604	2.4
129.06981	6.5
131.08537	7.2
133.06444	1.7
133.10103	4.5
135.11667	8.2
137.09567	1.0
137.13286	1.0
139.11168	1.0
142.07709	1.6
145.10136	1.6
147.08040	2.8
147.11673	5.0
149.09615	3.6
149.13245	2.7
157.10115	6.3
159.11670	1.1
161.09669	0.9
165.12758	1.3
171.11618	1.6
175.11151	8.2
184.07318	50.5
185.07559	1.8
193.12216	23.5
201.32996	1.0
211.13255	2.0
220.16994	2.2
235.13304	1.1
247.24216	1.5
249.14868	1.5
265.25293	2.3
267.15863	100.0
268.16281	4.2
283.06326	0.9
301.14294	1.2
309.16736	1.3
313.26974	1.4
339.28888	97.8
340.29160	6.1
457.36542	3.0
467.37250	2.1
531.40375	83.7
532.40710	7.8
549.41400	10.7
550.41895	1.0
573.41248	4.6
587.46558	5.1
593.67999	1.1
606.47614	1.3
627.41797	1.8
630.40820	6.4
639.42316	1.6
643.97931	0.9
657.43188	1.4
710.48248	1.1
778.53125	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95010	0.5
55.01863	1.2
55.05494	2.2
57.03418	2.4
61.02914	5.6
65.03938	0.5
67.05495	4.8
69.03421	3.6
69.07059	1.9
70.06592	1.0
71.04975	0.8
71.41791	1.1
73.02903	4.2
78.70958	0.5
79.05486	4.0
80.14409	0.5
81.03415	5.6
81.07046	5.8
83.04971	2.3
83.08611	2.2
84.77732	0.4
85.02898	8.4
86.09696	1.2
91.03934	2.9
91.05461	6.3
93.07006	3.0
95.04971	3.1
95.08585	3.1
96.38248	0.5
97.02876	3.7
97.06539	1.1
99.04465	1.3
101.02382	2.1
103.05476	0.6
105.03369	2.7
105.07004	4.8
105.26722	0.5
106.07278	0.5
107.04953	1.3
107.08586	1.6
109.02908	1.3
109.06519	1.0
109.10159	1.9
111.04416	0.6
111.08070	0.7
115.03870	0.6
117.07034	0.6
119.08600	2.4
120.08120	0.6
121.02847	0.7
121.10207	0.8
127.03905	1.5
129.07018	1.5
131.08559	1.5
133.10123	2.9
137.06000	0.6
145.10165	1.1
147.08017	0.6
147.11740	0.9
151.04005	0.6
151.11223	0.6
157.10144	1.6
159.18266	0.5
175.11189	1.2
184.07394	2.0
185.04251	0.8
193.12219	2.5
203.05287	0.8
211.13333	1.0
243.08441	4.1
251.12666	1.0
285.16998	0.5
313.17804	1.4
331.18851	3.0
365.82913	0.5
451.19733	1.2
469.20425	11.4
470.21112	0.6
531.25781	0.8
541.22778	1.1
549.26758	2.1
555.24152	0.6
632.86346	0.6
679.33289	1.7
753.93396	0.6
759.39038	6.7
760.39532	0.7
777.40118	100.0
778.40631	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	777.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
55.05502	2.2
57.03432	2.5
59.04976	0.3
60.08138	0.4
61.02918	4.4
67.05492	4.4
68.05866	0.3
68.12126	0.3
69.03419	3.1
69.07059	2.7
71.01321	0.5
71.04973	1.1
71.81312	0.3
73.02901	4.0
79.05482	3.6
81.03402	4.6
81.07046	5.2
83.01323	0.4
83.04964	1.8
83.08598	2.3
83.58931	0.2
85.02890	6.5
85.06522	0.2
86.09694	2.3
87.04429	0.5
91.03936	2.6
91.05460	4.2
93.07024	4.0
95.04953	2.6
95.08577	2.0
97.02871	5.3
97.06532	0.9
97.10167	1.1
99.04442	1.1
101.02375	2.3
103.53297	0.3
105.03390	1.4
105.07005	2.5
107.04951	1.2
107.08578	2.8
109.02862	1.1
109.06490	0.8
109.10142	1.1
109.45058	0.3
111.04491	0.3
111.08054	0.6
113.05953	0.3
117.07000	0.8
119.05011	0.3
119.08569	2.2
121.02856	0.4
121.06422	0.3
121.10122	1.4
123.08057	0.8
125.00015	1.1
125.09611	0.9
127.03891	2.0
129.06979	0.9
131.08553	1.5
133.10104	1.3
135.08063	0.5
135.11639	1.4
138.45610	0.3
145.04980	0.4
145.10100	1.3
147.08046	0.6
147.11690	1.4
149.09622	0.6
149.13234	0.4
153.12642	0.3
154.61398	0.3
157.10135	0.8
159.11688	0.6
163.11218	0.9
175.11192	0.7
184.07312	6.6
184.08856	0.6
185.04208	0.8
185.07668	0.4
193.12230	1.0
200.20068	0.4
203.05310	0.5
205.11879	0.3
209.11801	0.3
223.13326	0.9
229.02660	0.3
243.08356	3.9
251.12560	0.8
259.07947	0.3
291.19623	0.9
302.78717	0.4
331.18762	1.5
333.20389	1.0
439.19485	0.9
467.18646	4.0
467.23889	0.3
468.19049	0.3
469.20395	6.9
470.20593	0.4
549.26630	2.7
551.28143	3.2
551.35938	0.3
657.25592	0.5
710.43604	0.9
777.40155	100.0
778.40479	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	775.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.05494	2.1
57.03431	2.9
57.95871	0.5
61.02918	4.6
65.00569	0.5
67.05498	4.4
69.03420	4.3
69.07064	3.5
71.04998	0.8
71.61123	0.5
71.81364	0.6
73.02913	3.7
79.05481	5.1
81.03412	3.6
81.07035	4.2
83.05019	0.7
83.08594	2.5
85.02888	6.8
86.09726	0.6
91.03938	3.4
91.05473	2.7
93.07026	4.3
95.04956	2.2
95.05512	0.5
95.08592	1.8
97.02871	5.6
97.06504	1.3
97.10146	1.8
99.04445	1.0
101.02385	2.1
103.03893	0.6
105.03410	0.7
105.07024	2.4
107.04948	1.5
107.08575	4.0
109.02866	1.2
109.06483	0.9
109.10165	1.0
111.04403	0.5
117.07007	1.1
119.08577	2.8
121.06516	0.7
121.10165	1.6
123.08045	1.4
125.09628	1.2
127.03931	1.0
131.08580	1.4
133.10120	0.9
135.08063	0.8
135.11690	1.4
145.10153	2.1
147.08076	0.7
151.11232	0.5
163.11168	3.0
166.25446	0.4
184.07364	1.2
185.04266	1.2
186.35594	0.6
209.11639	0.6
223.13319	1.5
243.08339	4.0
283.15408	0.8
291.19528	1.4
331.18893	2.3
369.14990	0.6
387.21530	0.6
467.18890	10.4
549.26776	5.4
775.38635	100.0
776.38940	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
55.05499	2.4
57.03431	3.0
57.07055	1.0
61.02919	1.4
64.95899	0.2
67.05493	6.2
68.05827	0.6
68.99778	1.1
69.03416	2.4
69.07055	2.8
70.07383	0.4
71.04964	0.9
71.08602	0.5
71.80811	0.4
73.02889	2.4
78.89606	0.2
79.05482	4.6
80.05825	0.3
81.03410	4.9
81.07040	7.1
82.03748	0.6
82.07364	0.4
83.04974	1.4
83.08611	2.2
84.30769	0.2
85.02893	4.0
91.03928	0.5
91.05466	5.4
92.05804	0.5
93.07032	4.5
94.07355	0.3
95.04961	1.8
95.08589	2.8
95.26359	0.2
96.05263	0.3
96.08939	0.3
97.02883	2.8
97.06513	0.8
97.10178	0.3
99.04453	0.3
99.08118	0.4
105.07019	4.4
106.07352	0.6
107.04930	0.7
107.08572	2.8
108.08892	0.3
109.02851	0.5
109.06492	0.8
109.10136	1.0
111.00792	1.0
111.04391	0.5
111.08060	0.8
115.03916	0.8
117.07001	1.7
119.04959	0.4
119.08567	3.1
120.08888	0.5
121.06512	0.6
121.10116	1.4
123.04456	0.4
123.11686	0.8
125.00027	0.3
127.03893	1.0
129.07002	1.4
131.08539	2.3
132.08914	0.3
133.10107	1.9
134.10472	0.5
135.04364	0.4
135.11647	0.9
136.12036	0.3
137.02321	0.5
139.03874	0.9
141.06938	0.3
142.07697	0.3
143.08508	0.5
145.04965	0.5
145.10085	1.5
147.04396	0.6
147.08058	0.4
147.11644	1.6
148.12085	0.3
149.09589	1.0
149.13205	0.7
150.13605	0.3
151.11041	0.3
153.01804	6.4
157.10118	1.4
159.11665	1.2
160.05223	0.3
160.12003	0.3
161.05965	0.6
161.13184	0.6
163.03885	0.5
163.11139	0.4
165.01813	1.3
165.12700	0.3
171.04402	0.7
171.11705	0.5
173.13191	0.3
175.11176	0.8
181.06476	0.4
184.07246	0.5
185.05940	0.6
185.13269	0.6
187.03905	0.7
187.07561	0.3
189.05478	0.3
193.12202	2.3
194.12575	0.5
195.13805	0.5
197.05969	0.6
199.03879	2.4
201.05440	0.7
201.09190	0.3
203.03423	0.5
205.04959	0.3
211.03821	0.3
211.13264	3.5
212.13623	0.9
213.05394	1.0
215.03419	0.4
217.04948	0.4
225.05379	0.9
227.03404	1.0
227.06938	0.7
227.12839	0.4
229.04944	0.4
231.03311	0.3
237.05473	0.5
239.03311	1.1
239.06963	0.7
241.04977	1.0
243.02823	0.4
249.11224	0.6
251.07060	0.3
253.04909	1.4
253.08641	0.4
255.15904	0.8
257.04626	0.3
257.18976	1.5
258.19391	0.5
265.04962	0.3
266.05762	0.4
267.02972	0.5
267.06488	1.6
267.13528	0.3
267.15930	2.0
268.16232	0.4
269.04324	0.9
269.08157	0.4
269.17392	1.4
270.17966	0.4
271.02643	0.4
271.05972	0.6
273.03918	0.4
275.20065	2.1
276.20450	1.0
277.04855	2.4
278.05493	0.6
279.06409	0.9
281.04419	1.4
281.07834	0.4
281.15369	0.3
283.05969	0.6
285.16931	3.8
286.17349	1.2
293.04361	2.8
294.05209	1.1
295.06033	3.5
297.03772	1.3
297.06979	0.3
299.05457	0.7
305.04468	0.4
306.05176	16.5
307.05832	2.8
308.06744	0.4
309.04068	1.6
309.07181	0.5
311.05380	1.3
311.16418	0.6
313.03339	0.4
319.05984	0.7
321.03787	0.7
322.04651	3.3
323.05441	5.3
323.16464	0.5
324.06134	0.4
325.03354	2.0
325.07162	1.0
327.04935	1.3
329.17465	0.9
334.04587	0.5
335.05545	0.5
337.03394	2.1
337.06818	0.5
337.14444	0.8
339.04886	1.7
341.06540	0.7
347.05167	0.6
349.23547	1.3
350.04071	2.0
350.24152	0.9
351.04953	11.7
351.15991	1.1
352.05368	0.6
353.06497	7.6
357.16968	0.9
361.07254	0.6
365.17343	0.3
367.08005	0.4
379.08154	1.2
393.09644	0.7
397.16440	1.2
419.18481	9.1
420.18668	0.7
435.17987	4.9
453.19220	1.7
461.29285	0.6
462.29126	0.9
463.17447	100.0
464.17813	5.9
465.28461	0.7
466.28796	0.7
479.30063	1.7
480.30118	1.7
481.18530	24.0
482.18958	1.2
502.20721	0.3
505.18488	0.4
520.33490	0.3
541.35162	0.6
542.35681	1.3
559.36249	1.2
560.36597	2.0
743.50201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05034	0.5
57.07056	0.4
58.06580	0.3
60.08150	6.1
61.05307	0.1
61.15712	0.1
67.05483	0.6
69.07055	0.5
70.06587	0.2
71.07355	2.7
71.08620	0.2
71.74001	0.2
71.82662	0.3
71.83035	0.2
77.57084	0.2
79.05479	0.3
81.07029	0.6
83.08599	0.3
86.09689	28.9
87.10033	0.3
91.05443	0.4
93.07021	0.5
95.08575	0.6
97.10145	0.2
98.98438	2.9
104.10726	2.0
105.07024	0.2
107.08555	0.3
118.70192	0.2
119.08595	0.2
121.10089	0.2
124.99976	19.4
131.08472	0.3
143.01073	0.4
184.07306	100.0
185.07686	1.1
230.23776	0.2
262.09012	0.2
266.08603	0.2
293.21039	0.4
306.85498	0.2
349.23605	0.2
602.43469	0.2
603.46130	0.7
743.25659	0.2
756.55151	6.8
757.55328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.9
55.05502	20.9
56.67661	0.8
57.03428	18.7
57.07053	2.0
58.03750	1.0
59.04974	0.9
65.03908	2.6
67.05493	62.5
69.03406	3.2
69.07056	13.3
70.96790	2.6
71.04969	3.9
79.05009	1.2
79.05482	41.7
81.03405	92.8
81.07041	62.6
82.03727	1.5
82.07378	0.9
83.04974	6.8
83.08608	26.1
85.02888	1.9
85.06527	2.5
91.05464	36.1
93.07028	45.7
95.04952	29.1
95.05912	1.3
95.08591	45.0
97.02848	2.4
97.06503	4.0
97.10148	9.2
99.08083	1.3
105.07012	25.4
107.04942	6.8
107.08578	26.3
108.08866	1.3
109.06503	5.3
109.07161	1.0
109.10135	22.2
111.04443	1.8
111.08075	8.0
115.05443	2.2
117.07001	7.5
119.04938	1.2
119.08560	24.5
121.06487	4.0
121.10127	26.3
122.10446	1.1
123.04419	1.8
123.08031	2.6
123.11693	7.9
125.09630	4.5
129.06979	12.0
131.08536	21.1
133.06459	3.2
133.07401	0.9
133.10118	16.4
135.08025	2.3
135.11668	13.7
137.09612	2.4
137.13264	2.2
142.07759	2.4
143.08513	2.1
145.10107	12.1
147.08026	3.3
147.11673	15.0
148.75137	0.8
149.09586	6.5
149.13228	6.9
151.11194	1.5
155.08589	2.0
157.10088	12.1
158.10458	1.0
159.11685	8.7
161.13258	7.1
163.11188	3.2
163.14761	3.2
165.12755	2.6
169.10143	1.2
171.11623	2.0
173.13223	6.0
175.11166	8.9
175.14819	2.3
177.12637	1.0
177.16353	1.8
185.13251	2.1
187.14786	3.6
189.11166	4.0
189.12703	1.5
193.12218	21.6
197.13338	0.9
199.14743	1.3
201.16335	1.0
211.13235	2.3
227.12671	7.5
235.13280	1.3
243.21071	6.4
247.16855	0.9
249.14941	2.9
259.13339	1.3
259.20554	1.3
261.22073	18.5
262.22482	1.3
267.15869	100.0
268.16193	2.7
273.14841	1.1
279.23135	1.4
285.22159	1.3
299.23581	1.4
301.21823	1.1
301.25156	6.7
309.16913	2.3
317.24643	4.5
333.24011	1.5
335.25754	90.7
336.26025	7.5
403.24789	1.4
417.26218	1.3
417.31308	1.2
421.25540	2.2
435.27219	1.8
435.32492	4.6
449.28790	1.3
453.33521	7.9
461.29349	0.9
471.34903	4.0
475.30179	1.0
509.36090	2.4
527.37250	67.3
528.37598	8.0
545.38312	57.9
546.38519	7.1
559.39551	2.5
569.38263	4.6
577.41272	1.4
611.39099	1.4
635.39111	1.9
653.40210	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.5
55.05501	24.3
55.36288	0.9
57.03428	19.4
57.07054	1.4
57.20372	0.9
57.25392	1.0
61.02909	5.7
65.03915	3.3
66.48868	0.9
67.05492	62.3
69.03414	10.4
69.07055	27.3
69.67968	1.9
69.68372	6.6
70.92660	1.0
71.01328	2.0
71.04972	7.4
71.08543	0.9
73.02900	2.7
77.03938	1.3
77.47287	0.9
79.05016	2.6
79.05477	54.1
81.03402	67.3
81.07040	79.6
82.07358	1.1
83.04965	24.1
83.08605	30.7
85.02889	27.8
85.06525	5.1
87.04450	1.8
89.79012	0.9
91.03925	1.5
91.05466	60.4
93.07027	62.9
93.62670	0.8
95.04949	30.4
95.08591	27.1
97.02869	7.0
97.06516	15.9
97.10164	7.1
99.04445	2.0
99.08079	5.4
103.05453	1.2
105.07011	47.1
107.04935	13.6
107.08571	35.2
109.02843	2.0
109.06496	10.1
109.10133	10.9
111.04424	3.3
111.08054	14.7
113.05967	2.8
113.09554	1.1
115.05421	2.6
115.47868	0.9
116.06167	1.4
117.06993	13.3
119.08560	34.4
120.13342	1.0
121.06489	5.4
121.10126	24.2
123.04405	1.6
123.08053	4.3
123.11681	4.1
125.09588	4.5
127.03880	3.7
127.07531	1.3
128.06253	1.1
129.05475	2.1
129.06979	15.7
131.08543	24.8
133.06451	3.5
133.10104	26.8
135.08049	3.8
135.11662	14.5
137.06041	1.1
137.09584	3.3
139.03847	2.0
139.11139	1.3
141.06960	2.7
142.07745	4.7
143.08524	2.7
144.09351	1.1
145.06490	1.2
145.10097	13.4
147.08032	5.0
147.11655	22.6
149.09598	15.2
149.13197	9.7
151.11139	2.4
155.08546	2.7
157.10103	17.5
159.07964	1.3
159.11667	11.2
161.13298	2.6
163.11140	6.2
165.12691	4.2
169.10077	1.8
170.10385	1.2
171.11632	2.2
173.04431	3.4
173.13231	4.0
175.11142	16.6
177.12694	4.6
179.14297	1.8
181.12263	1.6
183.11661	2.5
184.07359	1.9
189.11142	1.4
193.12212	42.7
195.11963	1.1
195.13710	5.5
207.11673	1.0
207.22523	1.0
211.13249	64.5
212.13594	1.4
227.12750	3.2
229.19611	1.7
239.17821	1.8
247.20589	1.7
249.14760	1.7
255.15869	11.4
257.19016	5.0
267.15857	35.3
268.16138	1.2
269.17438	42.2
275.19998	21.6
285.16919	71.5
286.17331	1.6
293.21002	2.3
317.06601	1.9
323.80600	1.0
331.22662	2.5
349.23706	20.9
367.24655	3.8
368.92654	1.1
369.24393	1.4
395.20135	1.5
413.21640	2.5
421.25610	1.8
439.26797	3.0
443.27823	4.0
447.27386	9.8
455.26605	1.1
461.28894	38.3
465.28491	20.4
479.29965	100.0
480.30380	3.3
523.34070	1.6
535.80054	1.0
541.35101	9.2
559.14185	1.0
559.28430	1.2
559.36273	23.0
577.37213	6.8
623.35101	2.1
775.38074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.4
55.05498	32.3
57.03426	23.6
57.07055	2.9
61.02902	5.1
62.55696	1.2
65.03917	2.9
67.05489	77.0
69.03401	12.6
69.07053	32.1
70.23609	6.8
71.04955	7.7
73.02901	2.8
77.03909	1.1
79.05006	2.8
79.05475	71.5
81.03400	79.4
81.07038	100.0
82.07318	1.2
83.04963	28.1
83.08605	33.2
85.02368	1.7
85.02884	35.3
85.06522	4.3
89.81843	1.3
91.03933	2.6
91.05461	79.4
93.07023	70.7
95.04947	42.9
95.08585	37.0
95.41917	1.2
95.60032	1.2
95.81056	1.3
97.02873	8.8
97.06516	19.0
97.10149	11.2
99.04421	3.5
99.08076	4.0
105.04512	1.8
105.07008	56.4
107.04936	15.5
107.08572	39.4
109.02843	3.1
109.06497	11.5
109.10146	13.4
111.04429	3.7
111.08066	13.7
113.05956	3.9
113.09626	1.8
115.05424	2.3
117.06998	17.6
119.08556	40.5
121.06465	7.0
121.10124	22.3
123.04412	1.3
123.08053	7.2
123.11676	4.4
124.05206	1.3
125.09588	7.9
127.03884	4.5
127.35262	1.2
128.06192	2.2
129.05493	2.1
129.06972	22.0
131.08542	31.2
132.94273	1.3
133.06448	6.0
133.10098	33.0
135.08054	6.8
135.11679	12.8
137.06010	1.4
137.09596	5.1
137.13223	1.1
139.11171	1.5
141.06984	1.6
141.82071	1.2
142.07741	4.3
143.08496	3.6
144.09291	1.3
145.06471	1.6
145.10104	17.9
147.08003	4.6
147.11656	27.7
149.09587	20.0
149.13199	10.5
151.11157	2.3
155.08556	2.7
155.17365	1.2
157.10112	22.7
159.11656	12.7
161.09642	1.6
161.13225	3.4
163.07449	1.6
163.11148	11.9
163.14796	1.2
165.12720	3.8
169.10110	2.7
171.11665	3.7
173.04472	2.6
173.09482	1.3
173.13196	4.4
175.11159	19.2
177.12715	4.8
179.14262	2.8
181.10004	1.8
181.12271	1.5
183.11644	2.3
184.07298	2.0
185.13104	1.9
187.14786	1.3
189.11342	2.8
193.12198	49.4
195.13756	5.1
201.12614	1.5
211.13246	66.9
212.13550	1.8
227.12657	6.7
229.19330	1.7
239.17906	2.1
247.20583	2.2
255.15907	8.6
257.18909	7.4
267.15854	31.8
269.17389	26.8
275.20010	27.7
285.16898	74.2
293.21030	3.8
309.20233	1.5
331.22684	2.7
349.23685	24.0
357.31604	1.3
367.24731	3.0
413.21579	1.9
439.26837	2.6
443.27829	3.4
447.27350	11.8
449.29916	1.4
455.26251	4.0
461.28940	28.1
465.22849	1.8
465.28482	18.8
479.29974	77.5
480.30582	2.3
519.32751	1.7
541.35309	14.7
559.36121	31.1
577.37122	7.6
623.33868	2.4
671.17419	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.1
55.05227	2.9
55.05500	48.3
57.03435	12.4
57.07044	2.8
61.02904	3.1
65.03922	3.3
67.05495	50.4
69.03413	10.4
69.07056	26.3
70.06587	2.0
71.04974	7.5
71.79363	2.5
72.96882	1.3
74.38833	1.4
78.01917	1.4
79.05479	52.8
81.02921	3.4
81.03404	68.0
81.07043	50.2
81.07524	2.9
83.04965	18.1
83.08606	39.2
85.02892	20.0
85.06539	3.3
86.09695	4.5
91.05467	48.9
93.07031	30.7
95.04955	28.6
95.08577	18.1
97.02886	6.2
97.06527	11.0
97.10157	41.4
99.08054	2.3
105.03384	5.0
105.07020	47.2
107.04945	12.6
107.08575	62.1
109.02846	2.0
109.06485	8.4
109.10147	15.6
111.04421	4.5
111.08062	13.1
113.05984	3.5
115.05482	2.4
117.06999	9.6
119.08566	29.5
121.02860	2.4
121.06538	2.3
121.10117	16.5
123.08050	5.0
123.11724	3.7
125.09616	38.3
127.03907	5.3
129.06967	16.1
131.08546	22.9
133.06500	3.2
133.10127	24.1
135.08028	7.8
135.11655	6.6
137.05991	2.0
137.09572	2.1
141.76634	1.5
142.07751	2.9
143.08553	5.3
145.10129	16.8
147.08038	3.5
147.11658	28.1
149.09613	16.5
153.09096	2.9
155.08455	1.7
157.10098	15.8
159.11656	7.6
161.09584	3.2
161.13200	2.9
163.11182	6.2
171.11650	5.1
173.13255	3.8
175.11182	18.0
184.07346	7.8
189.11208	23.0
193.12221	43.5
197.13271	3.3
211.13264	60.1
212.13538	2.0
227.12747	71.1
228.13022	2.5
229.19385	2.5
239.18153	1.9
245.13837	5.1
247.20570	1.8
257.18982	7.0
267.15906	21.6
275.20016	51.4
276.20346	2.5
281.04434	1.7
285.16934	57.0
288.83844	1.5
293.20840	1.9
327.04965	9.0
327.42093	1.7
331.22714	4.0
346.70859	1.7
349.19482	3.6
349.23657	53.6
350.23871	2.1
389.18048	3.2
437.25259	8.9
449.30429	3.3
455.26318	19.7
458.14111	2.8
477.28525	1.7
523.34418	3.8
541.35217	44.3
542.35571	2.1
559.36237	100.0
560.36548	5.7
577.37305	10.3
599.30273	4.6
612.27777	5.5
709.47205	1.5
716.58807	1.7
768.86859	1.8
771.56671	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.2
55.05502	32.3
57.03425	11.9
57.07056	7.3
61.02913	14.6
65.03924	5.5
67.05490	97.1
67.16789	1.6
68.05820	3.2
69.03416	9.2
69.07052	35.1
71.04983	6.0
71.08599	3.3
71.79447	2.5
73.02905	7.1
77.03891	1.9
79.05479	71.9
81.03407	10.0
81.07041	93.4
82.07373	2.1
83.04961	5.0
83.08590	12.1
85.02895	15.3
85.06503	4.5
91.03923	6.0
91.05465	75.0
93.07027	93.1
93.18401	1.6
95.04948	11.6
95.08590	71.0
96.08884	1.6
97.02877	12.9
97.06499	6.5
97.10143	4.6
103.05465	3.3
105.07013	66.2
107.04913	3.4
107.08573	49.7
109.02847	2.3
109.06489	5.1
109.10135	27.4
111.08045	4.0
115.05437	2.3
117.06992	28.3
119.08562	59.6
121.06485	2.2
121.10124	38.9
123.08080	2.4
123.11674	9.8
125.09618	3.2
127.03931	2.4
128.06165	4.4
129.06969	14.7
131.08548	44.9
133.06508	2.7
133.10104	42.4
135.08061	3.4
135.11667	29.4
137.09621	3.2
141.06927	3.6
142.07729	3.0
143.08533	19.9
145.06509	2.5
145.10091	36.4
147.08118	1.8
147.11647	34.8
149.09579	3.1
149.13220	14.4
155.08519	6.7
157.10101	22.0
159.07974	2.6
159.11659	31.7
161.09602	3.4
161.13222	31.9
163.11134	2.7
163.14815	5.7
167.08534	4.3
169.10114	10.2
171.11667	22.3
173.09726	2.7
173.13237	21.9
175.11041	2.4
175.14798	12.9
177.12709	2.2
177.16313	2.7
181.10075	3.5
183.11650	10.8
184.07288	5.1
185.13220	16.8
187.14790	10.1
189.12822	2.0
189.16362	2.8
191.14224	2.5
193.10136	2.0
195.11713	5.8
197.13240	7.9
199.14816	11.5
201.16336	5.6
203.17982	1.7
209.13243	3.9
211.14809	4.0
213.16357	4.8
215.17969	2.0
217.15894	2.7
221.13266	2.1
223.11197	2.9
223.14803	3.3
225.16386	3.6
227.17973	2.1
229.19536	2.4
231.21027	5.4
234.58604	2.1
237.16350	3.8
239.17972	5.4
241.19484	21.9
243.21022	5.7
257.18979	11.2
257.21362	2.2
259.20554	45.7
260.20844	2.6
261.22116	8.4
269.48596	1.6
271.20578	4.5
275.20035	3.6
277.21472	2.9
297.21768	2.3
299.20078	2.0
299.23453	2.3
301.21426	4.0
313.21530	2.2
315.23038	4.1
317.24484	1.8
331.22543	2.8
333.24185	43.7
335.25760	81.5
336.26077	2.9
337.27271	5.2
338.10803	1.8
343.23050	1.9
349.21347	2.5
351.25137	1.7
367.22485	4.4
375.25381	2.3
385.23499	4.6
403.24969	2.5
421.25909	2.2
459.27063	2.3
463.18533	2.0
519.41565	5.3
529.38867	1.8
537.42889	3.1
593.45435	13.0
609.44324	3.4
611.46594	100.0
612.47247	8.3
623.46790	3.1
701.47235	3.4
719.48865	3.2
737.49506	3.6
755.50256	6.2
773.43915	8.1
773.53864	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	773.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.0
55.05500	33.0
57.03424	18.8
57.07052	5.1
61.02911	13.6
65.03919	5.2
67.05491	98.9
69.03413	7.2
69.07053	31.3
71.01328	1.3
71.04975	7.2
71.08601	1.9
71.55083	2.4
73.02892	5.6
77.03887	1.9
79.05478	83.9
81.03403	5.3
81.07038	100.0
83.04944	5.2
83.08601	13.9
85.02886	12.0
85.06508	4.7
91.03927	4.5
91.05461	73.9
93.07026	94.5
94.07311	1.4
95.04942	12.4
95.08587	78.2
97.02872	8.9
97.06496	7.4
97.10139	7.2
99.04462	1.6
99.08066	3.4
101.02377	1.7
103.05452	2.2
105.07008	76.7
106.07314	1.5
107.04929	2.4
107.08573	49.7
109.02853	1.6
109.06503	7.0
109.10129	30.3
111.08037	3.5
111.11668	2.0
115.05444	2.4
117.07002	27.8
119.08559	65.9
121.06503	2.5
121.09242	2.1
121.10119	41.3
123.08037	4.8
123.11684	10.3
127.03886	2.2
128.06203	4.5
129.05489	2.4
129.06972	18.7
131.08540	42.4
133.06396	1.3
133.10100	48.6
135.08022	3.5
135.11668	29.9
136.66150	1.2
137.09634	1.5
137.13226	3.5
139.11095	1.4
141.06963	3.9
142.07681	2.8
143.08528	21.6
145.04904	1.4
145.06500	1.8
145.10095	34.9
145.11206	2.5
147.11650	40.9
149.09601	2.6
149.13226	16.6
153.07016	1.4
155.08540	7.6
157.10083	18.9
157.11215	2.0
159.08076	1.4
159.11662	30.0
161.09570	2.3
161.13231	31.5
163.11151	2.1
163.14795	8.1
167.08528	3.5
169.10056	8.7
171.07986	1.5
171.11656	21.1
172.12309	1.3
173.13243	23.6
175.11058	1.9
175.14783	14.2
177.12685	1.8
177.16353	1.4
179.08510	1.4
181.10042	4.2
183.11635	8.1
185.09557	2.1
185.13216	15.3
187.11089	1.7
187.14775	8.1
189.12688	3.3
189.16364	2.0
191.14299	1.8
195.11636	3.9
197.13254	7.4
199.14774	9.5
201.16339	5.1
203.17851	2.2
207.11581	2.0
209.13228	3.4
211.14807	4.5
213.16367	4.9
215.18022	3.4
217.15843	2.6
217.19423	2.3
223.14844	3.1
225.16296	2.2
227.17931	1.7
229.19461	2.2
231.17427	1.6
231.21069	4.7
237.16400	1.5
239.17885	2.8
241.19493	25.5
243.20917	2.4
257.18893	7.4
259.20523	50.6
260.20935	1.5
261.22107	10.5
271.20413	2.1
273.21954	2.1
275.20044	2.8
277.21597	1.9
283.20563	2.4
285.22162	1.8
301.21478	4.0
303.22894	1.4
315.23093	3.6
317.24646	1.6
325.21616	1.5
331.22525	1.6
333.24170	36.4
335.25723	84.5
336.25980	2.0
337.27362	2.8
339.26672	2.2
343.22598	1.6
351.25424	2.6
355.22485	2.1
367.22543	4.1
385.23401	2.9
403.24570	3.2
441.26288	1.7
459.27277	2.0
475.33569	1.4
477.28708	2.7
501.40738	1.4
519.41852	6.6
537.42401	3.1
543.40759	1.4
587.39990	1.3
593.45679	12.6
609.44525	4.0
611.46576	82.8
612.46545	5.0
623.46179	2.6
635.46417	2.3
677.46973	1.9
689.46973	1.9
701.47754	6.3
719.48145	3.1
737.49377	2.1
755.49902	3.5
773.51678	7.9
776.34753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2118
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01863	0.2
55.05482	0.2
56.70364	0.1
57.03421	1.6
61.02911	0.3
65.03931	0.2
66.20335	0.1
68.99807	0.2
69.03418	1.1
71.01343	0.1
71.04977	9.1
73.02904	0.3
75.04458	0.3
81.03387	0.6
83.04981	0.4
84.57016	0.1
85.02886	12.7
87.04441	0.3
91.03933	0.2
93.03385	0.1
95.04926	0.2
97.02875	1.3
99.04434	0.3
109.02854	0.6
111.00771	0.7
111.04415	0.4
121.02837	0.7
123.04447	0.1
127.03899	0.7
129.05447	2.8
135.04407	0.1
137.02307	2.0
137.03325	0.1
145.04955	0.6
147.06474	0.8
149.02322	0.5
153.01782	2.4
163.03841	0.4
165.01791	1.5
166.02562	0.2
173.05919	0.1
183.02895	0.7
187.03908	0.2
191.03293	0.2
195.02924	0.1
201.05408	1.1
205.05017	0.1
213.05481	0.1
215.03375	0.1
219.03064	0.2
219.06491	0.2
229.04913	2.8
243.09239	0.1
247.06053	0.6
247.64363	0.1
257.04382	2.2
274.04645	0.6
275.05368	0.2
285.03882	1.0
303.04916	100.0
304.05215	1.8
315.04990	0.1
341.06430	0.1
345.05936	0.4
365.71722	0.1
369.06296	0.1
465.10193	27.6
466.10489	0.7
627.15668	0.2
634.35443	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95102	0.2
55.05511	0.2
56.05026	0.6
57.03408	0.2
58.06619	0.5
59.07395	0.3
60.08154	6.2
67.05499	0.8
69.07056	0.3
70.06560	0.2
70.09250	0.3
70.09648	0.8
71.07361	3.0
71.08603	0.2
79.05497	0.4
81.07032	0.3
83.08634	0.3
86.09694	29.8
93.07022	0.4
95.08591	0.6
97.10126	0.3
98.98450	3.1
104.10734	2.0
105.07021	0.2
106.18629	0.2
107.08617	0.2
119.08537	0.3
124.99986	18.7
131.08536	0.3
143.01050	0.3
149.33487	0.2
184.07318	100.0
185.07623	0.5
188.18549	0.2
262.83179	0.2
291.19336	0.2
308.29272	0.3
330.82483	0.2
600.44281	0.2
669.91144	0.2
754.53784	5.2
774.80713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97771	0.2
60.98351	0.2
70.97678	0.7
94.92991	2.4
126.93442	0.3
145.67941	0.2
146.25824	0.2
162.95554	0.3
186.95529	0.4
204.87025	1.0
206.86874	0.5
212.85065	1.3
250.97191	0.5
256.96100	9.4
268.98315	0.4
270.97748	1.4
298.97125	3.0
303.04913	0.6
327.78854	0.2
381.07880	12.6
385.00641	0.7
413.00342	1.8
431.01364	100.0
432.01666	1.7
475.48901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.3
55.05499	18.9
57.03424	14.4
57.07020	2.4
58.51915	0.5
59.04945	2.3
61.02919	3.4
63.14214	0.5
65.03928	2.9
67.05489	62.6
67.05823	2.2
68.05825	0.6
69.03422	2.7
69.07053	17.0
69.85647	4.4
71.01335	3.0
71.04973	6.1
71.08596	0.9
73.02863	1.0
79.05475	51.3
81.03400	23.3
81.07037	61.8
82.03738	0.8
83.01286	1.8
83.04962	12.3
83.08599	10.8
85.02891	8.6
85.06522	4.4
86.09673	1.4
91.03913	1.4
91.05458	30.6
93.07021	59.0
94.07314	0.9
95.01312	0.6
95.04948	12.8
95.08585	43.5
96.08862	0.7
97.02879	9.2
97.05924	0.8
97.06499	10.1
97.10120	4.6
99.04397	2.4
99.08016	1.2
105.04477	0.7
105.07008	18.9
107.04234	1.1
107.04929	15.5
107.08567	27.3
109.02818	0.8
109.06493	9.1
109.10130	18.3
111.04418	24.7
111.08051	4.3
113.05930	1.9
113.09531	0.7
115.05270	0.6
116.06226	0.5
117.06995	14.7
119.07745	1.1
119.08559	19.4
121.06480	7.5
121.10118	28.6
123.04335	1.0
123.08041	6.6
123.11689	4.2
124.81760	0.6
124.99981	1.0
125.05967	5.4
125.09613	4.0
127.03864	1.4
129.06989	3.9
130.07709	1.7
131.04852	1.3
131.08531	16.6
133.10092	9.7
135.07986	2.4
135.11659	23.9
137.05913	0.9
137.09578	3.1
137.13142	1.0
139.07487	0.9
139.11159	1.1
143.08545	2.8
145.06403	2.4
145.10091	25.9
147.08026	4.4
147.11671	6.0
149.09570	3.0
149.13237	5.1
151.11142	1.2
153.12721	8.3
155.08507	3.9
157.10052	2.6
159.11684	5.1
161.09550	1.1
161.13210	3.7
163.11150	27.9
163.14766	1.7
165.08998	1.1
167.14346	0.9
169.10091	0.6
171.11635	1.6
173.09589	6.9
173.13219	3.5
175.14799	1.9
177.12708	1.5
177.16360	0.6
181.12183	4.4
183.11613	1.3
184.07274	6.3
185.13190	0.8
187.14737	1.1
189.09084	0.6
189.11171	1.5
191.10623	7.6
193.12277	0.6
195.13655	1.5
199.14877	0.8
201.12711	0.6
201.16357	0.9
209.11679	10.4
209.13506	1.2
223.13226	17.2
223.15268	0.9
223.16628	0.6
227.12714	9.2
241.14293	22.3
241.19400	0.8
243.21042	2.3
259.20511	1.7
261.22101	8.4
265.14340	6.4
267.15875	1.4
283.15381	17.3
297.16885	1.8
299.23615	2.0
315.17953	46.6
316.18231	0.7
317.24725	2.0
333.24142	1.9
335.25732	95.6
336.26175	2.2
433.30817	1.7
451.31918	3.1
469.33160	1.5
503.02982	0.6
525.35651	13.0
543.36707	66.9
544.37030	1.7
557.38141	1.5
561.09491	0.7
561.38153	1.6
575.39307	100.0
576.39691	4.4
609.45459	0.8
610.36841	0.6
610.45227	3.5
754.52155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	13.2
55.05501	27.3
57.03427	15.9
57.07054	3.1
59.04977	2.2
59.32885	0.7
61.02903	3.6
64.67094	0.7
65.03905	2.3
67.05491	59.3
69.03416	7.8
69.07053	23.5
70.07459	1.4
70.07788	5.0
71.01341	1.5
71.04983	7.1
71.08603	1.3
73.02892	2.4
73.06539	0.8
73.44685	0.9
77.03922	1.0
79.04796	1.1
79.05003	1.6
79.05479	56.6
81.03403	28.9
81.07042	70.4
82.07386	1.6
83.01332	7.1
83.04494	1.5
83.04966	22.2
83.08603	23.2
85.02891	12.9
85.06525	4.6
86.09705	1.1
87.04462	1.0
89.05998	1.4
91.03939	2.0
91.05462	51.1
93.07025	63.4
94.07362	1.1
95.04953	20.3
95.08586	26.6
97.02870	6.8
97.06518	13.5
97.07135	0.6
97.10150	6.3
98.20844	1.5
99.04445	4.3
99.08057	3.2
103.05444	1.5
105.07013	40.1
107.04942	14.5
107.08570	40.9
108.08845	1.2
109.02843	1.4
109.06487	12.2
109.10140	18.2
111.04451	4.6
111.08059	8.4
113.09623	1.1
115.05435	2.1
116.06194	1.0
117.07001	16.4
119.08562	28.1
121.02867	0.9
121.06500	7.4
121.10121	21.1
123.04395	1.7
123.08053	10.1
123.11705	4.5
125.05966	2.7
125.09597	5.0
127.03883	2.1
127.07552	1.1
128.06184	1.7
129.05464	1.5
129.06993	7.5
130.07755	1.8
131.08546	16.2
133.06462	3.5
133.10103	31.2
135.08025	5.7
135.11664	18.4
137.06003	1.0
137.09573	3.7
139.07504	1.3
142.07788	1.2
143.08536	4.8
145.04909	1.2
145.06454	1.1
145.08954	1.2
145.10106	21.9
146.10405	0.9
147.08028	4.3
147.11655	10.5
149.09575	9.2
149.13206	9.0
151.11145	8.0
153.12660	2.2
153.74054	0.8
155.08542	2.7
157.10124	4.9
159.07953	1.2
159.11687	8.8
161.09607	4.1
161.13277	3.9
163.11153	22.7
165.08943	1.2
165.12738	1.4
169.10104	1.6
169.12178	1.0
171.11649	2.6
173.04408	1.7
173.09604	3.2
173.11807	1.0
173.13245	3.4
175.11172	4.8
177.12730	2.7
179.10735	0.9
179.14301	0.9
181.12190	3.9
183.11655	1.3
184.07309	1.6
185.13278	2.0
186.98433	0.9
187.11121	1.5
189.11162	1.7
189.19562	0.8
191.10594	2.1
193.12193	10.9
195.12006	1.1
195.13855	3.5
197.13239	1.5
199.16913	2.8
209.11678	6.2
211.11305	0.6
211.13240	15.9
213.85829	0.9
215.12686	1.1
227.12726	8.1
229.14256	2.0
233.15315	1.1
239.17885	0.8
245.18994	1.5
251.12749	0.9
251.16449	1.1
253.14299	12.4
255.15779	10.7
257.18936	3.5
259.20538	1.4
263.20145	0.9
267.15872	8.5
269.17432	26.4
270.17599	1.1
271.15277	1.2
273.18466	7.6
275.20020	16.2
283.15356	63.7
284.15662	2.4
285.16898	12.6
291.19531	11.5
293.20981	1.5
296.67096	0.8
309.20590	1.6
331.22684	1.9
347.22025	3.3
349.23724	14.9
365.23212	9.2
367.24759	2.8
413.21582	1.8
437.25128	2.8
445.25742	1.8
453.24753	1.1
459.27405	3.1
463.26859	23.5
464.27182	1.2
477.28406	100.0
478.28656	6.3
481.27905	6.0
495.30084	1.3
539.33704	3.8
557.34619	27.1
558.34845	2.2
575.35645	26.1
576.36115	1.8
621.32471	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01622	1.0
55.01865	14.5
55.05500	38.3
57.03427	18.0
57.07055	2.4
59.04984	3.4
61.02920	5.2
65.03934	3.6
67.05492	62.6
69.03413	14.1
69.07056	38.8
69.07349	0.8
71.01336	1.8
71.04977	9.0
71.50129	1.8
73.02901	2.1
79.05477	59.2
80.69511	0.9
81.03405	55.6
81.07042	67.5
82.03733	1.2
82.07381	0.9
83.01342	5.3
83.04965	24.4
83.08601	33.7
85.02892	22.9
85.06518	4.2
87.04465	1.2
91.03934	1.9
91.05464	54.9
93.07025	58.4
94.07377	1.3
95.04948	31.7
95.08593	30.7
95.09082	0.7
97.02869	15.0
97.06506	14.5
97.10149	15.2
99.04429	2.3
99.08080	2.5
103.05429	1.6
105.03423	0.9
105.07011	41.6
107.04932	18.9
107.08573	34.9
107.09309	1.3
109.02850	1.6
109.06503	13.8
109.10130	14.3
110.06817	0.8
111.04435	4.5
111.08054	10.2
113.05979	2.3
115.05450	3.2
117.06996	18.6
119.04939	1.5
119.08558	35.7
121.06481	8.9
121.10123	22.2
123.04389	1.0
123.08046	10.0
123.11704	3.9
125.05966	1.9
125.09603	12.1
127.03880	2.1
127.07577	0.9
128.06174	1.9
129.05487	2.2
129.06967	13.5
130.07805	1.3
131.04924	1.2
131.08548	21.3
133.06425	5.2
133.10098	20.6
134.07227	0.9
135.08032	7.3
135.11667	17.6
137.09563	4.5
137.13219	1.2
139.07520	1.7
141.06966	2.4
142.07730	2.1
143.08559	4.5
145.04962	1.0
145.06430	1.7
145.10089	26.0
147.08038	8.2
147.11671	16.0
149.09575	13.0
149.13216	6.3
151.07576	1.1
151.11185	2.1
153.09073	2.4
153.12654	2.1
155.08546	2.9
157.10094	14.2
159.11681	9.4
161.09581	3.5
161.13222	2.1
163.11166	21.5
165.09135	1.8
165.12776	3.6
169.10080	2.6
171.11667	2.2
173.04414	1.1
173.09590	2.1
173.13261	3.5
175.11139	11.8
175.14828	0.9
177.12766	2.7
179.10764	0.9
181.12283	3.0
183.11641	2.0
185.13194	1.4
187.11124	1.4
187.14844	1.2
189.11212	7.2
189.12692	1.5
191.10620	2.6
193.12209	30.4
195.11853	0.9
195.13794	2.8
195.69189	0.9
197.13206	1.5
205.12238	2.5
209.11693	3.7
211.13242	45.4
217.15810	1.0
219.13776	1.3
223.13240	14.6
227.12749	11.0
227.17917	1.4
233.15265	1.4
237.16386	1.2
239.17952	1.8
245.13817	0.9
245.18942	1.0
247.20671	1.3
249.14781	4.3
253.14473	1.6
255.15744	6.0
257.18997	3.3
263.20062	1.1
267.15863	30.1
268.16147	1.5
269.17413	13.8
273.18457	13.7
275.20013	15.3
283.15359	55.5
284.15802	1.6
285.16916	46.4
286.17331	2.1
291.19485	100.0
292.19925	4.3
293.21051	1.6
309.20471	1.2
313.21722	1.6
331.22388	1.0
347.22214	2.8
349.23648	13.3
365.23151	45.0
366.23505	2.7
378.83237	1.0
413.21414	1.3
437.25391	2.4
445.25842	1.4
453.25574	0.9
455.26547	1.1
459.27307	4.6
463.26846	17.1
477.28415	60.8
478.28680	4.0
493.27768	1.6
495.29404	2.0
501.28326	1.3
517.31427	2.9
539.33380	3.9
557.25574	1.1
557.34662	54.7
558.35040	4.2
575.35681	71.9
576.36224	4.6
621.32910	2.2
721.83972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.4
55.05500	19.2
57.03428	13.9
57.07064	1.6
61.02903	3.9
65.03928	3.7
67.05494	64.6
69.03415	9.6
69.07053	23.5
71.04982	9.6
71.47072	1.0
73.02879	2.0
79.05479	45.3
80.10725	1.0
81.03405	57.5
81.07040	72.0
83.04962	22.6
83.08604	22.7
85.02889	21.9
85.06536	6.9
86.09679	1.2
87.04430	1.4
91.05463	70.6
93.07027	45.4
95.04951	31.0
95.08585	23.4
97.02891	5.6
97.06512	7.8
97.10146	4.6
98.20628	1.7
99.04454	2.0
99.08070	2.7
101.18956	1.1
103.05451	1.3
105.03369	1.5
105.07014	59.1
107.04938	12.2
107.08573	39.6
107.09319	1.8
108.08879	1.1
109.06495	11.6
109.10136	48.8
111.04421	4.2
111.08064	10.6
113.05994	4.2
115.05443	3.3
117.06997	7.5
119.04907	1.6
119.08563	26.0
121.02837	1.5
121.06472	10.2
121.10118	15.1
123.08058	7.1
123.11690	6.8
125.09563	4.8
127.07507	3.2
128.06201	2.8
129.06995	13.7
131.08546	18.6
133.06461	5.3
133.10104	75.4
134.10446	1.2
135.08020	5.9
135.11681	5.3
137.09624	2.8
139.07516	1.1
139.25809	1.0
142.07788	2.4
143.08531	4.8
145.06416	1.1
145.10094	7.1
147.08034	5.7
147.11656	17.1
149.09586	11.7
149.13254	1.3
151.11150	27.3
153.09027	1.0
155.08521	2.0
157.10098	16.5
158.10432	1.1
159.08009	2.1
159.11644	3.6
161.09602	7.2
161.13237	1.5
163.11180	4.3
165.12839	2.4
165.14339	1.1
169.10118	1.3
169.12173	4.9
171.11687	3.3
173.09645	1.7
175.11156	15.7
177.09058	1.9
177.12733	1.3
179.10638	2.5
184.07315	4.1
185.13287	1.4
189.11121	1.1
189.12704	1.5
193.12213	35.9
195.13828	1.3
205.12119	1.7
211.13255	62.1
212.13580	1.5
215.12738	4.3
223.13210	2.0
227.12912	1.3
227.17816	1.9
229.85939	1.2
245.18968	5.5
249.14951	2.5
251.12785	1.4
253.14301	100.0
254.14726	2.8
255.17427	2.3
263.19965	2.8
267.15863	21.3
271.15457	3.6
273.18448	24.8
273.21429	1.3
281.49692	1.0
283.15323	4.1
285.16916	58.9
286.17142	2.3
287.20050	1.5
291.19479	27.8
292.19955	1.6
309.20471	2.0
347.22040	11.1
365.23160	33.2
366.23477	1.8
392.53812	1.3
445.25925	2.6
463.26807	21.7
465.29132	1.3
477.28323	1.7
481.27927	26.1
517.32159	1.2
539.33539	5.1
543.35944	1.1
557.34552	25.7
575.35675	60.8
576.36298	3.2
593.36383	1.4
801.02460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.7
55.05503	39.1
57.03427	22.8
57.07069	2.6
59.04991	34.4
61.02903	3.1
65.03930	3.7
66.97990	1.5
67.05495	91.8
69.03412	6.9
69.07052	17.9
71.01323	2.0
71.04977	16.9
71.79076	2.9
71.79443	1.4
73.50849	1.6
75.84646	1.6
79.05481	48.1
81.03407	100.0
81.07043	51.0
82.03749	2.2
83.04970	20.4
83.08146	2.9
83.08603	31.7
85.02899	11.0
85.06525	8.0
87.04453	34.4
91.05470	53.7
93.07032	38.2
95.04371	3.0
95.04954	41.0
95.08588	22.9
96.52017	1.3
96.70185	1.5
97.02888	9.9
97.06522	12.1
97.10159	24.4
99.04433	14.7
99.08078	2.7
100.07607	2.9
100.11241	4.6
103.05465	1.6
105.03383	2.8
105.07016	30.1
107.04947	20.5
107.08585	27.5
109.02879	3.0
109.06536	9.2
109.10143	50.9
111.04427	11.8
111.08054	16.3
113.33474	1.5
114.72045	1.8
115.05407	4.5
117.06986	11.6
119.08560	30.6
121.02858	6.5
121.06501	11.1
121.10139	25.4
123.04426	8.3
123.08030	8.0
125.02306	2.0
125.05971	5.0
125.09617	17.3
127.03900	2.1
127.07514	2.1
129.06995	14.2
131.08540	26.1
131.09439	2.6
133.06483	8.6
133.10095	15.4
135.04436	7.9
135.08040	7.9
135.11676	11.3
137.02301	2.2
137.05952	4.3
137.09596	5.6
139.07448	2.2
141.06982	2.3
142.07741	3.5
143.08519	5.5
145.06476	3.8
145.10086	13.6
147.04349	8.5
147.08047	9.9
147.11670	20.7
149.09613	26.9
151.07494	3.0
153.09082	4.7
153.12752	14.4
155.08502	3.9
155.10654	2.6
157.06451	2.4
157.10091	19.2
159.08034	1.8
159.11639	5.3
161.05972	5.5
161.09552	2.0
163.03885	1.9
163.11159	17.2
165.12759	2.3
167.10637	2.7
171.10150	2.6
171.11655	3.3
173.09604	4.2
173.11752	12.6
173.13123	2.8
175.07564	2.4
175.11154	18.2
177.05444	2.0
181.04944	3.3
181.12263	7.3
183.11691	2.5
185.09485	2.0
185.13249	4.3
187.11140	2.8
189.09561	1.9
189.11206	13.3
189.12657	2.7
191.10571	8.2
193.12218	63.9
194.12535	2.2
197.15340	3.8
199.11571	2.4
199.13293	11.0
201.12732	2.2
203.14384	3.3
205.12247	3.0
207.13730	1.7
209.11658	14.0
211.11244	4.1
211.13248	56.0
213.12700	3.0
215.10635	2.0
217.12248	3.1
217.14252	3.3
219.13788	3.5
221.15385	3.0
223.11136	1.9
223.13159	3.4
225.14764	12.6
227.12749	28.8
229.12190	2.1
229.14287	44.0
231.13774	7.3
233.11757	2.3
235.13373	3.5
241.14320	3.8
243.13904	1.8
247.13342	10.3
249.14845	22.0
251.12518	1.8
253.14450	1.9
259.13071	2.4
259.15457	1.8
263.16364	3.4
265.14191	2.6
267.15894	66.3
267.18802	3.3
268.16217	1.9
273.14700	3.9
276.16632	1.5
277.14136	1.7
283.15433	17.4
295.15390	2.3
301.14136	2.2
309.16891	2.7
315.17987	5.7
321.16718	2.9
323.10730	2.8
337.21570	7.1
347.19839	2.2
355.22650	10.0
365.21060	12.9
373.23666	9.0
383.22137	32.0
391.24466	1.7
401.23160	27.0
403.24161	1.7
409.25427	2.4
415.24728	6.9
419.24146	4.4
421.25848	30.9
433.25833	12.2
436.16632	5.7
436.66519	3.1
447.27277	5.7
451.26904	2.0
457.25690	9.9
459.27151	1.7
463.26334	1.8
475.20047	1.9
475.26831	35.3
489.28568	5.9
493.27927	11.0
494.27991	1.9
507.29419	30.9
508.29868	2.5
517.28119	1.9
525.30872	10.8
529.27777	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.6
55.05501	34.6
57.03425	21.7
57.07053	2.1
59.04992	30.3
59.14988	1.4
59.59684	1.3
61.02896	1.6
65.03933	4.0
67.05492	85.5
68.05799	3.2
69.03415	8.3
69.07063	15.4
70.89280	5.0
71.01362	2.0
71.04978	20.5
73.02919	1.7
79.05481	49.5
81.03404	100.0
81.06590	3.2
81.07040	47.9
83.04958	18.2
83.08601	30.1
85.02872	8.0
85.06527	5.2
87.04456	27.7
91.05459	41.2
93.07029	37.2
95.04949	37.0
95.08591	23.4
97.02322	1.7
97.02862	10.3
97.06502	10.8
97.10159	20.1
99.04444	11.0
105.03381	3.2
105.07008	27.3
107.04935	18.4
107.08575	26.7
109.02869	3.4
109.06477	8.7
109.10142	47.7
111.04431	12.5
111.08069	14.7
113.34805	1.6
115.05431	2.3
117.07000	9.0
119.08560	29.7
121.02852	3.0
121.06495	10.4
121.10119	19.2
123.04418	4.5
123.08037	4.8
123.11719	1.7
125.05936	2.8
125.09600	15.6
129.06992	14.6
131.04919	2.8
131.08548	24.0
133.06471	8.7
133.10109	14.7
135.04385	8.8
135.08035	5.4
135.11661	8.5
137.05969	4.9
137.09595	6.4
141.06992	2.6
142.07791	3.6
143.08536	3.6
145.06465	5.2
145.10106	14.5
147.04402	6.0
147.08012	6.2
147.11682	16.0
149.05983	2.5
149.09598	20.3
153.09114	6.1
153.12714	7.5
155.08495	2.8
155.10596	2.6
157.06450	2.3
157.10085	16.8
159.08028	2.6
159.11722	3.1
161.05974	6.5
161.09564	4.6
163.07408	2.2
163.11147	12.7
165.12732	2.4
167.10669	2.3
171.08093	2.0
171.10185	2.1
171.11658	2.5
171.63095	1.7
173.05876	2.1
173.09590	5.2
173.11717	13.0
173.13107	2.7
175.11163	17.7
177.05513	2.0
177.12633	1.9
181.12222	6.6
183.11685	3.0
185.13225	4.2
187.11177	3.7
189.09607	1.9
189.11209	9.7
189.12730	2.2
191.10646	8.9
193.12207	58.0
197.15369	3.5
199.07591	2.0
199.13284	7.2
203.14285	2.5
205.12102	2.7
207.13708	2.4
209.11661	14.1
211.11235	3.4
211.13235	46.6
211.15134	3.3
213.12804	2.3
219.13780	2.3
223.13203	4.4
225.14723	10.3
227.12740	21.0
229.12296	2.0
229.14304	36.5
231.13782	6.6
235.13295	5.2
241.14272	2.4
247.13310	6.0
249.14888	15.2
251.12814	2.8
259.13019	1.8
263.16348	2.2
267.15872	63.6
268.16443	1.8
273.14627	3.0
283.15335	14.2
285.16983	2.5
295.15265	1.9
301.14081	2.0
309.16956	2.6
315.18057	3.7
337.21487	4.9
355.22604	5.5
365.21051	7.5
373.23730	6.0
383.22107	23.8
401.23062	18.1
408.53235	1.8
409.26001	2.3
415.24765	4.9
419.24496	2.3
421.25793	29.0
422.26337	1.9
433.25848	8.4
447.27139	2.9
457.25732	7.4
459.27283	2.1
475.26843	27.7
489.28204	3.6
493.27786	8.1
507.29416	22.0
508.29669	3.3
525.30676	11.2
529.27167	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	770.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.1
55.05499	16.2
57.03429	9.7
57.17802	4.9
62.19302	4.9
62.53321	5.4
67.05499	36.6
69.07061	32.7
72.02658	5.6
79.05474	27.0
81.03397	31.6
81.07048	35.1
83.04961	7.4
83.08595	14.5
85.02912	6.4
85.06500	5.1
87.08086	16.0
89.32954	4.6
91.05442	24.3
93.07040	30.8
95.04957	16.2
95.08594	24.1
97.02872	7.7
98.21545	10.1
99.08029	6.0
100.19022	5.5
105.07027	15.4
107.08576	16.9
109.02899	7.5
109.06499	5.5
109.10124	8.9
119.08553	16.4
121.10125	22.0
127.03915	13.0
129.06982	11.2
131.08588	7.4
131.51863	5.1
133.10101	12.1
145.10101	10.5
147.11624	7.8
149.13260	6.3
156.01607	5.0
157.10124	7.3
159.11603	7.3
173.13203	7.3
173.15384	10.7
175.11208	5.6
184.07318	18.9
193.12212	18.5
211.13257	46.9
243.21051	6.1
248.84996	5.7
261.22202	16.6
267.15927	20.8
285.16898	63.0
289.82495	5.2
335.25745	100.0
527.37152	15.5
545.38208	97.9
608.44000	7.2
770.50299	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	770.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.7
60.09455	3.9
67.05495	35.1
69.03409	5.7
69.07059	20.8
71.50648	8.7
79.05482	28.3
81.03394	23.6
81.07037	30.7
83.04947	7.3
83.08587	11.6
85.02864	9.9
86.09674	6.6
87.08089	15.2
88.08405	4.9
91.05487	24.8
93.07014	24.7
95.04947	11.9
95.08592	27.8
97.02867	5.4
97.06487	4.3
99.04389	4.1
105.07011	22.3
107.04975	5.3
107.08607	18.8
109.02816	5.4
109.10124	13.9
111.08054	6.6
113.96169	4.2
119.08549	13.6
121.10110	13.2
125.00005	4.5
126.38758	4.4
127.03866	9.0
129.06963	5.3
131.08528	13.9
133.10130	10.2
135.11659	8.0
143.08530	6.3
145.10080	7.7
147.11662	11.9
149.09587	4.6
157.10085	13.3
159.11661	4.7
163.11003	4.2
173.15324	7.8
174.15663	6.2
184.07283	21.5
193.12195	29.1
208.00946	4.2
211.13235	48.2
261.22079	15.8
267.15851	16.2
285.16949	64.9
303.98929	4.8
335.25748	93.4
527.37103	13.5
531.97717	4.1
545.38226	100.0
546.38367	6.9
608.43420	6.9
657.23749	5.1
770.49585	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	770.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.6
55.05500	20.2
57.03429	9.8
57.07066	1.7
61.02912	1.7
65.03927	4.0
67.05494	63.3
69.03409	6.2
69.07057	26.1
69.57825	6.8
69.58260	6.7
71.04964	4.9
79.05482	74.6
80.05804	2.2
81.03403	16.6
81.07044	70.1
81.07530	3.5
82.07393	1.8
83.04969	18.6
83.08604	11.7
85.02880	3.5
85.06535	2.4
86.09682	2.1
91.05464	61.4
93.07026	74.4
95.04950	21.6
95.08591	31.5
97.02871	4.8
97.06510	14.1
97.10144	5.6
99.08064	1.9
105.07014	52.7
107.04945	11.3
107.08578	29.6
108.08908	2.0
109.06516	9.5
109.10146	10.8
111.08087	5.2
112.07576	3.0
113.05979	3.1
115.05447	2.1
117.06986	14.4
119.08560	30.5
121.02837	1.9
121.06481	4.7
121.10113	13.1
123.08031	5.7
123.11671	2.7
125.09590	3.3
127.03859	2.8
127.07500	1.6
128.06190	2.4
129.06985	15.7
130.07712	1.9
131.08540	15.2
133.06516	1.4
133.10106	23.1
134.10413	1.5
135.08051	3.6
135.11667	13.0
137.09581	2.0
137.77010	1.4
141.06888	1.9
143.08530	10.9
145.10107	16.5
147.08037	2.1
147.11653	31.4
149.09595	10.0
149.13237	6.9
151.11209	2.0
155.08551	3.5
157.10094	3.6
159.11653	9.5
161.09570	5.7
161.13219	11.1
163.11191	8.7
169.10054	2.1
171.11658	17.6
173.04532	1.7
173.13228	4.1
175.11105	1.5
177.12717	3.6
181.12286	1.6
184.07373	2.5
185.13165	1.5
187.11319	1.6
189.12698	5.9
193.12280	1.5
195.13631	1.8
197.13330	1.7
207.13766	19.2
209.11630	2.1
227.12758	6.4
239.17885	1.6
253.14331	8.4
255.15950	5.8
257.18948	6.6
259.20554	5.2
269.17413	11.5
273.18454	2.5
275.20065	25.1
281.17432	55.9
281.20569	2.8
282.17825	2.7
283.15311	7.9
291.19522	3.5
293.20908	2.9
298.68689	1.4
331.22610	3.1
332.17026	1.5
333.24118	3.3
349.23651	13.6
365.23352	3.3
367.24591	2.3
435.27441	2.3
447.11633	1.5
451.26706	2.7
459.30859	1.8
461.28937	27.4
475.30530	100.0
476.30905	5.2
479.26352	3.5
491.29813	1.7
537.35297	2.3
541.35132	4.4
555.36780	40.9
556.37012	3.8
573.35980	7.7
619.34753	3.7
734.98370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.9
55.05259	1.7
55.05499	18.8
57.03418	9.5
59.04983	1.8
65.03925	1.2
67.05492	29.9
69.03407	5.2
69.07049	8.9
71.04972	7.9
71.81004	1.5
71.81403	1.1
77.03889	1.1
79.05478	30.5
81.03401	74.8
81.06590	2.0
81.07042	28.8
83.04964	9.9
83.08602	23.4
85.02890	8.9
85.06528	3.2
86.09684	1.9
91.05463	31.2
93.07028	22.7
95.04375	2.2
95.04951	27.6
95.05556	1.4
95.08583	13.8
97.02874	5.0
97.06508	7.0
97.10149	19.0
99.04462	1.5
105.07012	22.0
107.04934	13.2
107.08570	16.3
109.02880	1.8
109.06506	8.1
109.10139	9.5
111.04427	3.8
111.08046	5.4
115.05422	1.7
117.06979	7.4
119.04868	1.5
119.08566	16.7
121.02871	1.0
121.06490	8.0
121.10122	9.8
123.04398	2.1
123.08027	4.0
123.11666	1.7
124.99977	1.2
125.05967	2.5
125.09608	15.5
127.03960	1.2
129.06995	10.9
131.04907	2.8
131.08553	16.2
133.06483	6.5
133.10109	7.0
135.04404	1.4
135.08029	4.8
135.11671	2.4
137.05930	1.2
137.09593	1.6
141.06914	1.4
142.07787	1.8
143.08549	3.2
145.06474	5.7
145.07410	1.0
145.10077	6.4
147.04378	2.5
147.08003	7.0
147.11656	11.5
149.09625	6.7
151.07481	1.3
151.11200	1.1
153.09068	2.2
155.08559	1.8
157.06520	2.2
157.10124	14.0
159.08032	2.9
159.11656	1.8
161.05972	1.5
161.09563	2.3
163.11154	4.7
165.12788	2.2
167.10602	1.1
169.10107	1.5
171.08032	2.5
171.11673	3.6
173.09583	2.4
173.13208	1.9
175.11150	12.1
177.12730	1.4
181.04953	1.5
183.07939	1.9
184.07370	5.9
185.09741	1.0
185.13153	1.4
187.14853	1.9
189.11159	6.6
189.12686	2.0
193.12195	23.0
195.11673	2.7
197.13257	1.8
199.11166	1.6
203.14485	1.2
205.12309	1.4
209.13237	1.5
211.11348	1.9
211.13245	9.5
213.12646	1.4
215.14256	2.5
219.13733	2.5
223.13155	1.5
227.12608	6.9
229.14301	1.4
231.13760	2.4
233.15355	7.0
235.13167	1.2
237.12772	1.7
239.14227	1.4
241.14319	1.6
249.14825	1.2
255.13734	3.4
259.13272	2.1
267.15851	35.9
271.17001	1.2
273.14673	6.5
285.16956	3.8
301.14081	2.6
315.18082	1.5
339.23099	2.9
349.21469	4.6
357.24036	2.8
367.22574	13.5
385.23633	18.0
403.24814	7.1
421.25787	3.1
429.20914	2.3
433.25565	2.9
441.26392	10.8
459.27365	79.7
460.27466	3.0
461.83624	1.2
477.28415	100.0
478.28778	5.6
486.35147	2.0
491.29861	11.7
501.28012	2.7
509.31027	15.5
519.28998	1.6
522.37219	2.2
525.92682	1.2
561.30530	1.5
585.30542	6.9
603.31372	7.2
609.20038	1.3
620.92480	1.2
621.32507	7.9
653.35065	1.3
670.37677	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01624	0.7
55.01862	8.8
55.05501	15.4
57.03191	0.5
57.03429	5.6
57.07048	1.1
59.04980	1.8
61.02895	2.4
65.03915	1.4
67.05494	37.6
68.24807	0.5
69.03419	5.0
69.07057	11.4
69.67872	4.1
71.01342	0.6
71.04984	5.4
73.02903	1.3
73.06519	0.5
79.05480	27.5
80.05811	0.5
81.02985	0.8
81.03410	9.1
81.07042	42.6
83.01338	4.5
83.04965	12.3
83.08603	7.6
84.32092	0.4
85.02894	4.0
85.06527	5.0
86.09649	0.5
87.04424	0.7
91.05464	37.0
92.05771	0.6
93.07027	32.4
94.07379	0.7
95.04946	10.2
95.08587	13.1
97.02874	2.9
97.06512	5.3
97.10126	1.8
99.04426	2.3
103.05448	1.3
105.04559	0.8
105.07014	33.1
107.04939	8.5
107.08574	28.2
109.02863	1.1
109.06503	8.3
109.10139	34.1
111.04406	1.5
111.08066	2.4
113.05975	2.5
115.05449	1.1
117.06996	8.2
119.08562	10.7
120.08847	0.5
121.06490	6.2
121.10132	7.9
123.04426	0.7
123.08037	6.3
123.11678	6.9
125.05949	1.1
125.09603	1.5
127.07513	1.7
128.06119	1.2
129.06996	3.6
130.07742	1.0
131.04892	0.8
131.08536	8.3
133.06509	2.7
133.10104	46.0
134.10391	1.0
135.08028	4.9
135.11681	8.3
137.09612	2.1
139.07516	1.2
142.07706	0.8
143.08559	3.4
145.06473	1.2
145.10094	11.0
147.08031	2.6
147.11673	3.9
149.09583	5.0
149.13229	1.0
151.11157	19.4
153.12694	1.3
155.08484	0.7
157.10104	2.2
159.08011	1.5
159.11644	2.2
161.09599	5.0
161.13222	1.4
163.07477	0.8
163.11153	12.3
169.10013	0.9
169.12178	3.7
171.11629	2.8
173.09601	1.9
173.13048	0.7
175.11162	2.2
175.12643	0.6
177.09103	1.8
177.12822	0.8
179.10626	1.6
181.10001	0.6
181.12199	1.5
184.07324	1.1
185.13232	1.5
187.11122	1.2
189.12740	1.5
191.10597	1.4
195.13933	0.6
199.11172	0.8
207.13753	1.0
209.11748	2.8
215.12704	2.1
217.12201	0.6
227.12776	2.1
245.19023	2.5
251.12715	2.2
253.14307	100.0
254.14661	1.5
255.17511	1.0
263.20102	1.9
265.14267	0.7
269.17487	0.8
273.15613	1.0
273.18445	14.4
281.17465	2.0
283.15353	39.9
285.18729	0.6
291.19501	18.7
303.19379	0.5
309.20584	1.5
311.14798	1.1
329.20993	0.7
347.08804	0.5
347.22153	7.0
365.23193	21.4
365.27725	1.2
366.23447	0.9
461.28943	1.2
475.30542	5.6
477.24673	1.7
479.26340	26.5
480.26382	0.8
481.29324	0.7
513.35199	0.6
555.32825	6.4
561.07715	0.6
573.34161	53.8
574.34320	1.6
591.34686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.8
55.05502	23.1
55.05747	0.9
57.03428	8.5
57.07042	1.0
59.04994	2.3
61.02926	2.9
63.96848	0.3
65.03901	1.4
67.05494	26.4
69.03419	7.7
69.07059	23.5
71.01310	1.0
71.04976	3.7
73.02866	1.5
79.05482	28.4
81.03410	10.6
81.07043	26.5
83.01327	4.9
83.04965	8.7
83.08605	13.3
84.08869	0.4
84.71806	0.4
85.02890	4.8
85.06483	1.5
87.04437	0.6
91.03919	0.8
91.05464	20.7
93.07028	26.2
94.04148	0.5
94.07306	0.5
95.01302	0.5
95.04955	11.5
95.08001	0.5
95.08590	11.6
97.02878	9.6
97.06516	5.3
97.10150	11.8
98.21425	1.0
99.04395	1.4
100.62532	0.5
102.56970	0.4
103.05421	1.2
105.03378	0.5
105.04491	0.5
105.06339	0.9
105.07016	16.9
106.07294	0.5
107.04237	0.4
107.04940	10.2
107.08577	15.6
108.08893	0.4
109.02824	1.2
109.06495	6.5
109.09494	0.5
109.10140	6.8
111.04389	1.6
111.08085	3.4
113.05947	0.4
115.05406	1.2
116.06203	0.7
117.06998	10.1
119.04895	1.4
119.08561	15.8
121.02908	0.5
121.06485	5.4
121.10126	9.2
123.04402	1.0
123.07239	0.6
123.08043	7.7
123.11638	0.9
125.05928	1.1
125.09604	8.2
127.03871	0.7
128.06184	1.1
129.06990	4.6
130.07736	1.4
131.04893	0.4
131.07631	0.8
131.08546	9.0
133.06458	2.5
133.10117	6.2
134.07219	1.0
135.08029	4.6
135.11678	9.8
137.09586	3.0
139.07507	0.5
141.06953	0.5
142.07701	0.9
143.08539	3.5
145.06439	1.0
145.10100	15.4
147.08029	6.7
147.11653	2.8
147.97978	0.4
149.09615	2.6
149.13197	1.9
151.11128	1.2
151.18275	0.4
153.09042	1.1
153.12666	1.7
155.08492	1.5
157.10098	3.2
159.07986	0.9
159.11653	2.8
161.09587	2.9
161.13148	0.8
162.10371	0.7
163.11159	16.1
165.09058	1.8
169.10062	0.8
169.12206	0.9
171.10185	0.5
171.11636	1.4
173.09540	2.9
173.13049	0.5
175.11201	2.1
177.12712	1.4
179.10457	0.4
179.14110	0.5
181.10040	0.7
181.12187	2.3
183.11684	0.8
185.13208	0.8
187.11137	0.6
187.13159	0.6
189.11159	2.7
191.10616	1.0
193.12198	1.2
195.11563	0.5
195.13777	1.0
197.13153	0.4
205.12213	1.4
208.67139	0.4
209.11673	4.2
211.13261	0.9
223.13255	15.8
227.12738	6.6
227.17943	0.8
245.18996	0.7
249.14757	3.0
253.14357	2.6
253.16618	0.4
255.17426	1.5
261.14908	0.5
263.19946	0.7
267.15845	1.6
273.18457	12.5
273.21426	0.7
275.19992	0.9
283.15363	67.4
284.15808	1.2
291.19495	96.4
292.19806	2.3
309.20523	1.1
311.14740	0.7
329.21094	0.6
347.22177	2.2
349.23801	0.6
365.23178	51.5
366.23526	1.6
450.18930	0.5
453.24823	1.2
475.26968	1.5
493.27863	4.3
505.28265	0.6
515.29712	0.5
541.35138	1.4
555.32996	3.3
573.34143	100.0
574.34534	3.8
591.35229	1.3
608.43976	1.9
770.49384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	25.0
57.03436	11.5
57.07071	7.1
60.08132	1.3
61.02872	3.1
67.05497	57.1
69.07059	36.1
69.47993	13.5
69.48426	2.5
71.04988	2.9
71.08617	4.3
79.05486	31.2
81.03387	1.5
81.07045	55.8
83.08604	18.9
83.70891	1.2
85.02888	3.9
85.06526	2.0
85.10176	2.0
86.09690	2.6
91.05476	11.7
93.07032	36.2
95.04937	3.7
95.08598	47.9
96.08913	2.3
97.06516	4.6
97.10150	11.4
98.20739	3.0
105.07030	8.8
107.08575	22.5
109.10139	19.1
111.08042	3.1
111.11697	4.4
117.06993	3.5
119.08556	8.4
121.10126	21.9
123.11671	9.3
123.31063	1.3
131.08562	7.5
133.10133	7.6
135.11670	18.2
137.13219	4.3
139.11185	1.7
145.10092	5.1
147.11653	5.6
149.13271	10.7
156.70430	1.4
158.99426	1.4
159.11639	2.2
161.13239	5.0
163.14786	4.3
173.13222	5.3
175.14714	2.1
177.16458	1.8
184.07310	6.8
195.00299	1.7
219.21031	1.9
237.22079	4.9
243.21021	9.7
261.22098	24.7
286.47403	1.6
311.25763	100.0
312.26175	3.8
312.66440	1.3
317.24652	5.5
335.25766	78.7
336.26196	2.4
337.27460	2.8
337.85184	1.4
341.20584	1.5
571.47168	39.5
572.47516	3.3
589.48309	12.7
764.32288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58923	6.6
57.03418	9.9
57.07069	9.7
67.05489	31.7
69.07058	12.3
71.82141	9.3
79.05473	29.0
81.03387	8.7
81.07034	33.9
83.04928	8.0
85.02876	8.1
86.09698	13.1
88.23178	6.4
91.05457	15.1
93.07003	36.7
95.08585	26.0
105.01063	7.5
105.06961	9.7
107.08545	18.4
109.06500	9.4
109.10089	12.5
111.08041	7.1
117.06961	7.4
121.10142	15.4
124.99995	10.3
131.08594	9.5
135.11664	14.3
145.10098	12.1
184.07297	42.8
227.12825	7.7
247.74342	7.9
261.22183	19.0
283.15359	100.0
335.25726	86.9
480.23505	7.9
511.28018	9.8
543.36847	61.6
633.51141	8.1
666.05029	10.8
728.38214	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	764.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47697	0.2
55.05507	0.9
56.05021	0.5
57.07054	1.0
58.06596	0.3
60.08154	5.3
67.05502	1.6
69.07053	0.8
69.47300	2.1
71.07365	2.9
71.08608	0.7
77.51743	0.2
79.05473	0.8
81.03409	1.7
81.07041	1.1
83.08611	1.1
85.06598	0.2
85.10148	0.3
86.09693	26.8
87.10040	0.3
91.05466	0.8
93.07026	1.0
95.04956	0.5
95.08584	1.2
97.10155	0.3
98.98444	2.5
104.10735	2.0
105.07002	0.8
107.08573	0.7
109.10136	0.7
111.08073	0.2
114.14088	0.2
119.08577	0.4
121.10120	0.5
124.99986	17.3
129.06973	0.3
131.08527	0.3
133.06425	0.2
133.10130	0.2
135.11678	0.3
143.01006	0.3
145.10083	0.2
148.47342	0.2
163.58922	0.2
184.07317	100.0
185.07643	0.5
193.12161	0.5
201.05470	0.2
224.71660	0.2
267.15839	1.6
288.98810	0.2
313.27304	0.4
339.29083	1.5
467.36960	0.7
484.98395	0.2
505.38757	1.2
507.40543	1.0
531.40247	1.1
549.41516	0.3
558.50458	0.2
575.50006	0.4
587.46552	0.9
605.47266	0.7
630.39551	0.2
685.10303	0.2
714.46979	8.8
715.46448	0.6
764.41724	0.4
765.40771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62430	0.9
55.01863	4.6
55.05502	17.1
57.03425	4.1
59.93371	0.9
60.05622	1.1
64.06473	0.9
65.03935	1.7
66.63857	0.8
67.05498	29.0
69.03432	5.0
69.06721	1.7
69.07058	18.1
69.39598	0.8
71.04993	1.4
71.81401	0.9
71.81843	1.2
79.05482	38.7
81.03403	7.0
81.07043	26.2
81.07521	1.7
83.04962	6.6
83.08609	6.6
85.02877	2.1
85.06515	1.2
91.05466	26.9
93.07029	29.2
95.04953	11.6
95.08603	15.6
97.02856	5.7
97.06513	4.3
97.10146	8.7
105.03362	1.0
105.07019	21.1
107.04949	5.8
107.08577	12.3
109.06497	4.3
109.10152	5.2
111.08027	1.5
117.07002	6.0
119.04897	1.3
119.08568	16.3
121.06457	3.2
121.10138	5.1
123.08041	3.4
123.11681	1.4
125.09615	3.7
128.06152	1.9
129.06990	7.5
131.08553	5.3
133.06480	2.8
133.10132	6.5
135.08022	2.9
135.11699	1.8
137.09581	1.2
142.07762	0.9
143.08531	6.3
145.10089	8.1
147.08035	5.7
147.11659	13.7
149.09610	1.4
155.08511	1.1
157.10054	1.9
159.11722	2.5
161.09549	3.2
161.13203	2.9
165.09125	1.4
169.10173	1.1
171.11665	10.0
171.79434	1.1
184.07280	1.5
189.11188	1.2
189.12709	3.7
207.13777	7.9
223.13251	11.8
227.12746	4.3
249.14851	2.3
273.18488	11.3
281.17432	35.3
291.19510	65.2
347.22009	2.0
365.23187	27.1
473.28787	3.7
553.34973	3.9
571.36237	100.0
572.36395	3.3
580.08044	1.1
607.42737	2.2
676.95422	1.2
686.57648	1.1
691.23169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.05022	0.6
57.03410	0.2
57.07067	0.5
58.06356	0.2
58.06629	0.4
59.07375	0.3
60.08155	5.9
61.68760	0.1
67.05486	0.7
67.45272	0.1
69.07046	0.4
71.04988	0.2
71.07363	2.8
71.08617	0.3
79.05453	0.3
81.03385	0.7
81.07043	0.5
83.08614	0.4
85.06519	0.1
86.09692	28.4
87.10004	0.2
91.05470	0.4
93.07024	0.3
95.04971	0.2
95.08595	0.5
97.06482	0.1
97.10130	0.2
98.20692	0.2
98.98445	2.5
104.10721	2.0
105.07009	0.2
107.08596	0.2
109.10088	0.2
116.99457	0.1
119.08520	0.2
121.10066	0.2
124.99985	18.7
135.11652	0.1
143.01019	0.3
148.24718	0.1
166.02654	0.2
184.07315	100.0
185.07687	1.1
185.78708	0.1
203.03345	0.2
229.77318	0.1
267.15857	0.7
267.18329	0.1
304.03656	0.1
323.87302	0.1
339.28873	0.3
394.83023	0.1
505.38284	0.3
507.40411	0.2
531.40076	0.4
587.46295	0.2
714.46960	6.9
715.46924	0.6
765.41321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01855	1.0
55.05514	2.1
55.96893	0.5
57.03422	2.0
61.02916	4.2
67.05499	3.7
69.03416	2.7
69.07055	1.8
71.01353	0.6
71.04984	0.6
71.60611	0.4
71.81499	0.8
73.02911	2.8
78.99394	0.4
79.05483	5.2
81.03404	2.8
81.07053	4.9
83.04984	1.1
83.08615	1.9
85.02895	6.9
87.04433	0.5
91.03951	3.1
91.05455	5.0
93.07024	3.7
95.04936	2.2
95.08593	1.7
97.02885	4.8
97.06520	0.8
97.10179	0.6
99.04465	0.9
101.02347	2.3
105.03368	3.6
105.07011	3.7
107.04948	0.7
107.08584	2.2
109.02860	0.7
109.10162	0.9
111.08069	0.6
113.06025	0.4
117.07002	0.7
119.08560	3.2
121.02847	2.8
121.10107	2.1
127.03908	1.7
129.06989	1.1
131.08560	1.8
133.10124	2.0
135.11670	0.9
145.04915	0.5
147.11707	1.8
149.09642	0.6
149.13182	0.6
157.10126	0.9
159.11693	0.6
173.13271	0.7
175.11183	1.0
184.07352	1.5
185.04245	1.2
193.12257	1.5
211.13371	0.5
240.10068	0.7
243.08328	3.5
251.12593	1.4
259.20435	0.6
274.83075	0.6
301.09003	1.3
307.15210	0.9
315.10388	0.7
317.20932	0.7
340.40482	0.5
443.18802	1.1
465.20728	0.9
469.20441	13.7
535.28796	4.6
541.22607	1.5
569.25317	0.6
731.60413	0.6
763.42249	100.0
764.42664	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	763.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
53.86066	0.5
55.01859	0.8
55.05500	1.5
57.03420	1.7
61.02917	4.5
67.05489	3.0
69.03429	3.0
69.07048	1.2
71.04978	0.9
73.02905	3.6
79.05480	3.8
81.03388	4.2
81.07025	4.4
83.04942	0.9
83.08613	1.3
85.02888	5.3
87.04450	0.6
91.03948	2.7
91.05470	5.4
91.36456	0.6
93.07027	3.6
95.04948	2.8
95.08601	2.2
97.02882	3.8
97.06491	0.8
99.04466	0.7
101.02378	1.8
105.03375	14.2
105.07019	3.7
106.03733	2.1
107.04944	1.4
107.08596	1.7
109.02872	1.0
109.06488	0.8
109.10116	0.6
115.03959	0.5
117.07021	1.1
119.08578	2.6
120.08084	1.4
121.02841	8.0
121.10123	1.5
122.03234	1.1
123.04379	0.9
125.09695	0.6
125.86311	0.5
127.03922	1.6
129.07005	1.6
131.08577	1.8
133.10138	1.8
135.04407	0.8
135.11674	1.1
137.02377	1.8
144.61647	0.5
146.04726	0.5
147.11682	1.6
150.11702	0.5
151.03918	1.0
157.10162	1.1
175.11235	0.8
184.07281	1.2
185.04236	1.0
193.12292	2.0
203.05286	0.8
238.08665	1.4
239.09178	0.6
240.10208	2.0
243.08353	3.1
251.12614	1.2
254.08171	1.9
255.08678	1.3
256.09662	1.6
270.11099	0.6
301.08905	1.5
315.10538	0.8
317.21283	0.7
374.97552	0.6
383.16925	0.6
443.18777	0.7
469.20355	12.7
469.26730	0.9
535.28638	4.5
541.22418	1.5
555.85065	0.6
763.42218	100.0
764.42712	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	763.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	0.8
56.05013	0.6
57.03402	0.7
58.06569	0.5
58.68852	0.4
59.51603	0.4
60.08150	6.8
61.02882	0.4
61.08467	0.4
64.88203	0.4
67.05460	1.8
69.07025	0.9
69.62917	2.7
69.63332	1.0
71.07355	3.8
73.02859	0.4
73.04517	0.4
78.53207	0.4
79.05473	0.9
81.03373	1.6
81.07050	2.0
83.08577	0.5
85.02847	0.7
85.52155	0.4
86.09689	30.4
87.10019	4.1
89.05991	0.5
91.05447	1.0
93.07004	1.2
95.04906	0.6
95.08575	1.1
97.02879	0.7
98.98474	2.7
102.40562	0.5
104.10702	1.6
105.06989	0.7
107.08573	0.7
109.10098	0.6
119.08511	0.8
121.10059	1.1
124.99983	20.5
125.00906	1.0
126.00303	0.9
140.69363	0.4
157.10077	0.4
184.07306	100.0
185.07663	13.6
198.75032	0.4
227.20007	0.6
267.15842	1.1
337.27557	1.1
338.27542	0.8
400.37766	0.4
447.32318	0.4
529.38916	0.4
530.39099	1.1
535.26367	0.6
548.40009	0.8
712.45001	0.7
713.45569	8.2
763.40161	94.0
764.40607	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	762.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
56.05018	0.7
57.03422	0.2
58.06622	0.5
59.07132	0.1
59.07398	0.2
60.08149	6.3
61.02909	0.1
61.16677	0.1
67.05480	0.8
68.40787	0.1
69.03410	0.1
69.07049	0.3
69.89077	0.1
70.06575	0.1
70.91534	0.1
71.07354	3.0
71.07751	0.1
71.50659	0.2
72.74220	0.1
73.02913	0.1
76.15478	0.1
79.05491	0.4
81.03400	0.8
81.07041	0.8
83.08597	0.4
85.02872	0.2
86.09686	29.4
87.10036	0.3
91.05453	0.3
93.07021	0.4
95.04939	0.3
95.08591	0.6
97.02869	0.2
98.98445	2.8
104.10719	2.0
105.07018	0.2
107.04845	0.1
107.08585	0.2
109.10130	0.2
116.99510	0.1
119.08524	0.2
121.10123	0.1
123.11629	0.1
124.99973	19.9
126.00313	0.1
133.10088	0.1
135.11659	0.1
143.01009	0.3
153.58179	0.1
166.02625	0.2
184.07301	100.0
185.07620	0.9
193.12109	0.2
267.15878	0.7
291.41248	0.1
337.27185	0.6
450.22217	0.2
519.28900	0.1
529.38733	0.7
547.39380	0.3
657.23431	0.1
712.45306	7.8
713.45239	0.5
762.40356	0.4
763.42188	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97552	0.1
55.05497	0.3
56.05019	0.7
57.03423	0.2
57.07067	0.1
58.06618	0.4
59.07373	0.2
60.08152	6.3
62.49990	0.1
65.28241	0.1
67.05489	1.0
69.07047	0.3
71.07358	3.1
71.78947	0.1
74.92396	0.1
79.05472	0.3
80.30079	0.1
81.03403	0.9
81.07041	1.1
83.04994	0.1
83.08613	0.4
85.02877	0.1
86.09689	29.8
87.10030	0.2
91.05460	0.4
93.07034	0.3
93.25470	0.1
95.04932	0.4
95.08591	0.8
97.06509	0.1
98.98441	2.4
104.10721	2.2
105.07008	0.3
107.04934	0.1
107.08572	0.2
109.06464	0.1
109.10149	0.3
113.06006	0.1
116.99514	0.1
119.08562	0.3
121.06540	0.1
121.10107	0.3
123.07954	0.1
123.11656	0.2
124.99979	19.6
129.06966	0.1
131.08534	0.2
133.10045	0.1
143.01033	0.4
145.10098	0.1
147.11674	0.2
157.10062	0.1
166.02638	0.3
175.11205	0.2
184.07306	100.0
185.07613	0.7
193.12236	0.3
267.15909	0.9
269.45099	0.1
337.27264	0.9
520.33307	0.2
529.38855	1.0
547.39734	0.7
712.45337	7.5
713.44879	0.3
762.39136	0.1
763.27362	0.1
763.40582	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01868	1.0
55.05500	1.6
57.03437	1.9
61.02920	5.4
64.55676	0.6
66.10694	0.6
67.05495	4.3
69.03421	2.9
69.07059	3.2
71.05002	1.2
71.81176	0.9
71.81570	0.8
73.02895	4.0
79.05482	4.5
81.03394	5.7
81.07045	5.4
81.95265	0.6
83.04972	0.9
83.08602	1.9
85.02891	6.5
86.09681	1.0
91.03944	2.7
91.05457	4.9
93.07014	3.5
95.01317	0.7
95.04949	3.4
95.08598	2.8
96.03819	0.6
97.02876	3.5
97.06510	1.0
97.10217	1.0
99.04401	0.6
101.02355	2.0
105.03395	2.4
105.07021	5.0
107.04961	1.5
107.08618	1.9
109.06521	0.7
111.08089	0.9
119.08553	3.4
121.02866	2.4
121.10110	1.4
127.03939	1.3
129.06979	1.6
131.08574	2.6
133.10118	2.7
135.11681	0.9
142.11301	0.6
145.10165	2.1
147.11687	2.0
149.09641	0.7
157.10162	1.5
159.11655	0.9
175.11258	1.2
179.14420	0.9
184.07375	2.5
193.12282	1.8
211.13562	0.7
243.08304	3.1
251.12685	1.2
267.15991	0.7
275.20074	0.9
300.23245	0.9
315.19247	6.3
395.49875	0.8
469.20386	12.3
520.64105	0.7
533.27148	6.2
545.38422	0.7
572.47363	1.1
651.13684	0.7
761.40649	100.0
762.40924	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	761.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01863	1.1
55.05499	2.0
57.03423	2.0
57.07055	0.5
60.08176	0.6
61.02916	5.8
67.05495	5.2
69.03422	3.5
69.07057	1.9
71.04974	1.3
71.78726	0.9
73.02909	4.1
79.05479	4.5
81.03401	3.2
81.07040	5.7
83.04956	1.2
83.08619	1.3
85.02888	5.8
86.09698	1.4
90.38672	0.5
91.03946	3.9
91.05461	5.3
93.07033	6.6
95.04958	1.8
95.08607	2.9
97.02885	5.0
97.10206	0.5
99.04424	1.0
101.02367	1.3
103.03925	0.6
105.03399	0.8
105.07026	4.0
107.04954	0.9
107.08560	3.6
109.02852	1.4
109.06504	0.9
109.10160	1.1
117.06266	0.5
117.07048	1.0
119.08565	3.0
121.02898	0.9
121.10125	2.4
123.08105	0.7
127.03925	1.3
129.07005	0.6
131.08572	1.7
133.10097	3.0
134.10463	0.5
135.11653	2.5
143.08531	0.6
145.10103	1.7
147.11722	1.7
149.13278	0.9
157.10167	0.5
159.11656	1.3
161.13202	0.9
163.11244	1.9
184.07330	5.1
185.04250	0.8
185.13354	0.5
214.10086	0.5
243.08388	3.4
249.10976	0.6
301.09009	1.2
317.21149	0.8
391.22507	0.5
439.19766	0.5
465.21204	1.1
467.18799	6.5
469.20059	0.7
513.44476	0.7
533.27344	1.5
535.28693	7.0
761.40637	100.0
762.41156	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	761.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52685	0.5
55.05500	1.0
67.05490	2.6
69.07042	1.0
79.05476	1.4
81.03402	0.8
81.07053	1.9
82.07365	0.6
86.09731	0.8
91.05482	1.9
93.07027	1.6
93.42065	0.7
95.04979	0.9
95.08612	1.3
99.47880	0.6
105.07037	0.8
107.08576	1.2
119.08585	0.8
121.10198	0.6
135.11661	0.9
145.10048	0.8
180.61943	0.6
184.07378	2.2
293.74319	0.6
301.16354	0.7
330.08423	0.6
335.25934	0.9
337.27509	0.9
374.68701	0.6
401.54187	0.7
424.54529	0.7
535.26685	1.4
546.38812	1.5
564.39740	1.3
572.47650	1.0
617.36365	0.7
761.38531	100.0
762.38855	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	761.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01860	0.5
55.05507	0.5
57.03429	2.0
59.04994	1.7
61.02919	4.4
63.22830	0.4
67.05494	3.6
69.03420	3.8
69.07047	0.9
70.06525	0.4
71.01350	0.5
71.04962	2.6
73.02904	3.0
79.05473	4.3
81.03405	7.4
81.07049	4.1
83.04968	1.0
83.08627	1.5
85.02888	5.8
85.06546	1.1
85.30605	0.3
87.04436	0.9
91.03943	2.4
91.05468	4.6
91.54214	0.4
93.07038	3.4
95.04943	2.7
95.08606	1.6
97.02889	4.3
97.06524	1.1
99.04459	1.4
101.02365	1.9
103.03942	0.5
105.03401	1.1
105.07010	3.5
107.04948	0.8
107.08584	2.0
109.02880	0.9
109.06502	0.9
109.10153	0.5
111.04416	0.5
111.08054	0.9
115.03960	0.5
119.08560	2.9
120.08966	0.4
121.02879	1.3
121.06460	0.4
121.10145	3.4
123.08071	0.9
123.11725	0.4
125.05988	0.4
125.09595	0.4
127.03922	2.3
129.07004	1.1
131.08516	2.2
133.10098	2.1
135.11710	0.5
137.05975	0.4
147.04445	0.6
147.08067	0.8
147.11639	2.8
149.09595	3.6
151.03868	0.4
151.26326	0.4
153.05450	0.5
157.10153	1.6
163.03902	0.4
163.11134	0.5
165.10474	0.4
167.10725	0.4
175.11212	1.7
179.74074	0.4
185.04156	0.6
193.08612	0.5
193.12228	3.4
197.15404	1.1
199.30675	0.5
203.05318	0.4
211.13388	0.5
225.14960	1.3
233.11554	0.8
243.08313	2.9
266.07953	0.4
267.15860	2.2
283.15112	6.9
283.17920	0.6
287.05600	0.6
287.29730	0.4
289.55334	0.4
295.15411	0.6
310.10748	0.7
311.11066	0.5
315.04990	0.4
339.17776	2.5
339.61282	0.5
441.21222	0.4
451.19894	0.6
469.20514	1.0
483.22125	0.4
501.23019	35.1
502.23486	3.2
581.32880	0.5
599.33826	1.0
761.39246	100.0
762.39465	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.01849	1.0
55.05497	3.5
57.03429	2.0
61.02922	1.3
65.03926	0.7
67.05479	3.8
69.03416	15.2
69.07056	2.4
70.06585	1.6
71.04977	3.6
71.80904	0.9
73.02914	3.8
79.05484	5.9
81.03403	17.7
81.07041	7.6
83.04971	5.1
83.08624	0.8
85.02893	25.6
85.06540	1.0
87.04427	1.3
89.03876	0.6
91.05454	6.4
93.07021	4.5
95.04959	2.6
95.08580	2.3
97.02873	15.8
97.06530	0.8
99.04441	22.3
100.11227	0.7
103.03926	16.5
105.03365	1.0
105.07017	6.0
107.04940	31.8
107.08567	20.4
109.02862	33.0
109.06497	2.8
109.10155	5.3
111.04444	2.0
115.03938	1.4
115.05440	1.1
117.07019	2.0
119.08568	4.0
120.08055	0.7
121.02872	1.4
121.06498	3.6
121.10129	11.1
122.06045	0.7
122.07303	4.5
123.04410	1.2
123.08071	1.6
125.88584	0.7
127.03892	74.0
128.04202	1.2
131.08527	3.4
133.10107	100.0
134.10463	1.7
135.04417	1.1
135.08034	8.6
135.11653	1.8
137.02296	1.4
137.05992	1.2
137.09590	56.5
138.09950	0.8
139.04013	0.7
143.01375	0.6
145.04930	18.3
145.10030	1.7
147.04404	2.1
147.11638	2.3
149.09596	2.1
149.13226	10.9
151.03896	1.2
151.11069	0.8
153.05478	1.6
158.10884	1.1
161.09529	0.7
163.03922	1.7
163.06017	4.9
163.07373	1.0
163.14803	2.5
165.09050	0.8
167.07048	1.4
169.04936	2.5
173.13235	5.9
175.03809	0.7
177.05432	1.2
187.05980	9.8
189.05493	0.6
191.14276	89.7
192.14639	1.7
193.05121	0.7
197.05905	0.7
205.05214	0.8
205.07043	2.5
209.08115	1.8
209.15326	13.5
210.15479	0.6
211.05951	1.0
225.07437	0.7
229.06923	1.5
234.10362	1.2
235.05887	1.7
235.07889	0.8
236.07867	1.0
245.10141	0.8
250.09833	1.9
251.10231	0.9
253.07062	6.7
261.07565	0.8
265.12228	4.6
266.12524	2.4
267.06348	0.7
267.09723	0.7
271.08084	14.2
271.11053	0.9
279.08646	3.6
281.08041	1.6
282.14737	3.5
283.15274	2.2
287.05389	0.7
289.09125	9.6
296.10391	1.8
297.10205	1.7
307.10138	2.5
313.09088	1.1
331.10199	1.4
349.11090	1.5
379.10062	2.0
387.11206	0.7
397.11203	5.8
415.12283	10.3
433.13293	8.3
437.21606	1.0
443.20349	0.7
451.14493	3.9
461.21564	1.1
479.22519	1.8
598.14008	0.7
605.25598	2.0
615.16718	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	760.482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00267	0.5
53.03922	1.7
54.01123	0.4
55.01860	1.6
55.05263	0.8
55.05503	9.7
56.05019	0.6
57.03427	9.0
57.07050	1.2
57.23686	0.5
60.08154	6.2
61.02912	1.3
61.98367	0.4
65.03917	1.5
67.05493	31.4
69.03400	2.2
69.07053	9.4
71.01333	0.5
71.04973	2.1
71.07360	2.4
71.26494	1.2
73.02916	0.5
79.05482	22.2
81.03404	37.9
81.07044	32.4
83.04967	3.3
83.08604	10.9
85.02885	1.7
85.06535	1.4
86.09693	28.4
91.04902	0.9
91.05467	16.6
91.62803	0.4
93.07031	26.0
95.04379	0.9
95.04953	12.9
95.08592	23.2
97.02863	1.6
97.06531	3.2
97.10148	3.3
98.06892	0.5
98.98448	2.0
99.04429	0.6
99.08079	1.0
104.10734	2.4
105.07015	14.3
107.04939	3.9
107.08580	13.8
109.06525	2.4
109.10140	10.5
111.04431	1.1
111.08060	3.3
115.05438	0.5
117.07008	4.5
119.04980	0.5
119.08555	11.7
121.06471	1.9
121.10119	12.5
123.04459	0.6
123.08060	2.0
123.11668	4.0
124.99983	19.3
125.09576	2.4
127.03921	0.5
129.07005	5.2
131.08553	10.4
133.06454	1.9
133.10095	8.8
135.08026	1.2
135.11661	6.5
137.09586	1.9
137.13179	1.1
142.07744	1.2
143.08528	1.3
145.10117	5.9
147.08018	1.4
147.11661	7.4
149.09619	3.9
149.13229	4.2
155.08513	0.8
157.10089	5.7
159.11700	4.0
161.13235	3.4
163.11143	1.3
163.14786	2.0
165.12744	1.7
169.10077	0.8
171.11633	1.8
173.09619	0.4
173.13181	2.7
175.11189	4.3
175.14862	1.3
177.12764	0.5
177.16376	0.4
181.10135	0.5
183.11734	0.6
184.07318	100.0
185.07675	1.0
185.11702	0.7
187.14787	1.4
189.11223	2.1
193.12209	10.8
195.11655	0.5
195.13722	0.9
197.13301	0.6
199.14764	0.8
201.16289	1.0
205.15817	0.5
209.13245	0.5
211.13242	1.0
213.14618	0.8
215.18016	0.6
227.12727	4.3
233.15257	0.6
233.35666	0.5
235.13222	0.9
243.21130	3.2
249.14835	1.5
259.13144	0.6
259.20398	0.5
261.22122	9.8
267.15878	50.0
268.16119	1.1
275.20020	0.4
279.23218	0.7
285.16962	2.1
285.21994	0.5
287.23602	0.7
293.20963	0.7
299.23514	0.6
301.25137	3.3
309.16971	1.4
317.24692	1.4
333.23865	0.8
335.25763	46.9
336.26038	2.0
363.25467	0.5
417.31213	0.8
421.25867	1.1
435.27350	0.8
435.32495	2.9
453.33560	4.1
461.28641	0.8
471.34802	3.1
509.36252	1.1
527.37250	33.5
528.37390	1.9
531.24890	0.6
536.29041	0.9
545.38324	36.8
546.38605	1.8
563.39520	3.5
563.47168	0.7
569.38226	1.9
623.39606	0.6
628.25031	0.5
635.38733	1.1
644.75922	0.5
653.40198	0.7
710.43726	6.9
760.30017	0.6
760.43085	11.2
761.42108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.4
55.01842	0.3
55.05489	0.5
57.03432	2.7
57.14901	0.3
69.03375	0.4
70.06548	0.5
70.98241	0.8
70.98569	0.4
71.04981	16.7
72.20216	0.4
74.18299	0.3
75.04450	0.8
76.82353	0.3
81.03384	0.3
83.04931	1.2
85.02892	18.1
85.06536	0.3
97.02870	0.4
99.04383	0.3
100.11241	0.4
105.03330	0.5
109.02836	0.6
111.04388	0.9
121.02806	0.4
124.07562	0.4
127.03866	0.7
129.05452	2.1
137.02298	0.4
145.02824	0.4
147.04390	1.0
148.04713	0.3
152.02202	0.3
153.01819	1.9
161.05969	0.4
165.06932	0.9
166.07690	0.4
178.07719	0.5
179.03299	0.4
179.08487	0.7
181.06424	0.8
186.18083	0.3
189.06952	1.2
190.07729	0.9
191.08511	1.9
193.06467	3.7
194.07152	1.5
195.04395	0.5
195.08023	0.9
201.05550	0.5
202.07730	0.5
203.08516	1.2
204.05684	1.3
205.06470	3.3
206.07240	1.2
207.08040	2.7
208.08777	1.1
209.06010	0.7
209.09528	0.6
210.06676	0.4
211.07518	0.4
217.04918	1.4
218.07225	0.9
219.08020	2.5
220.05159	0.8
220.08714	0.8
221.05949	9.1
222.06705	5.5
223.07523	3.3
225.05472	0.4
225.09099	0.5
229.04970	1.2
233.05917	4.0
234.06703	3.8
235.07489	17.8
236.08257	3.7
237.05461	1.9
237.09082	3.9
238.06201	17.0
239.06911	2.8
242.55371	0.3
245.04401	1.2
246.06725	0.6
247.07504	3.4
248.04710	0.4
248.08281	1.3
249.05437	7.3
250.06160	2.4
251.07013	6.8
251.09331	0.4
252.07852	2.1
252.10150	0.6
253.08600	6.4
257.04303	0.4
258.05096	0.5
263.07004	16.7
264.07755	8.7
265.08572	5.1
266.05817	3.3
266.09360	18.5
267.06488	5.3
267.09729	1.1
268.07053	0.8
268.09732	0.9
273.03885	2.5
278.09222	0.5
279.06461	1.6
280.07162	0.7
281.08032	54.5
282.08701	8.5
283.09509	1.1
285.03952	1.6
287.05389	0.8
295.09723	0.7
296.10400	55.0
297.10715	2.7
298.27835	0.4
301.03464	2.0
302.04199	1.4
303.05051	1.4
350.22623	0.6
359.23199	2.1
359.73337	0.9
453.07928	2.1
476.08798	0.4
477.09894	0.4
493.08893	0.4
505.09433	1.2
519.10541	0.6
521.08759	0.7
522.09241	2.4
525.11768	3.4
536.11285	0.5
537.11816	5.4
549.08234	0.6
550.09119	0.6
554.14362	0.6
565.11212	12.0
566.11682	1.1
567.09283	1.2
579.12970	0.5
582.11523	5.0
583.12085	1.6
597.13843	37.6
598.13794	2.2
612.14795	3.4
613.14038	0.4
614.16479	100.0
615.16846	6.2
624.15167	0.5
656.16833	0.5
696.26886	0.4
706.19128	3.3
724.19818	1.7
760.22491	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01852	0.9
55.05500	14.8
57.03424	6.4
57.07065	3.0
59.04980	1.1
61.02915	3.6
65.03925	2.2
67.05491	73.5
68.05804	0.7
69.03423	2.3
69.07053	14.9
69.84473	3.1
70.83967	0.5
71.04977	21.0
71.08625	1.0
73.02897	0.8
73.06540	0.8
74.09697	0.7
74.84790	0.5
79.05477	33.5
80.05818	0.6
81.03387	2.1
81.07038	100.0
82.07365	1.3
83.04971	3.5
83.08604	8.4
85.02875	2.8
85.06526	8.1
86.09682	1.3
91.03934	1.6
91.05457	30.7
93.07022	45.0
95.04961	4.9
95.08584	31.0
97.02883	2.0
97.06509	5.6
97.10158	3.0
97.10743	0.6
99.08072	1.5
105.07005	15.9
107.04918	0.9
107.08569	22.8
109.06493	2.7
109.10130	15.5
111.08069	2.1
117.06982	4.9
119.08553	8.4
121.06527	0.8
121.10121	19.3
123.08005	1.2
123.11678	15.3
124.12032	0.6
125.00030	0.8
125.09626	2.1
127.03903	0.9
129.05577	0.6
129.07037	0.9
131.08536	9.4
133.10095	18.6
134.95372	0.5
135.08072	0.7
135.11674	9.5
137.09584	0.7
137.13237	0.6
139.11179	0.9
143.08551	0.7
143.73573	0.6
145.10072	4.7
147.11659	4.7
149.09587	0.8
149.13231	7.1
151.11177	6.6
151.66794	0.5
157.10074	0.7
159.11694	6.9
161.13283	3.5
163.11211	0.6
163.14798	1.2
169.12241	0.9
171.11679	0.8
173.13142	2.9
175.14856	1.0
177.12743	1.5
179.14326	0.7
183.12183	0.4
183.13808	2.3
184.07333	2.8
187.13283	3.4
187.14818	1.4
187.56447	0.5
195.13786	0.9
201.14763	1.0
227.16432	1.3
237.00848	0.6
243.21028	0.6
257.17502	1.5
261.22095	3.4
267.15814	0.8
269.17459	5.4
283.14993	0.6
301.20078	15.9
317.24747	0.8
335.25732	30.6
336.26053	1.5
351.28998	0.7
361.27307	0.6
437.34070	0.7
445.23880	0.7
465.35928	1.4
485.35983	2.0
503.37210	88.3
504.37637	4.7
517.38800	2.7
529.38849	12.5
547.39612	0.8
561.41394	100.0
562.41803	7.6
586.44855	0.8
728.45026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.01855	6.4
55.05500	34.0
55.67960	1.3
57.03430	23.2
57.07060	3.6
60.08152	2.1
61.02910	5.4
65.03928	3.5
67.05494	65.7
69.03424	7.0
69.07053	21.9
70.12804	3.5
70.13199	3.3
70.21783	1.4
71.04986	8.6
71.08651	1.7
73.02884	1.8
73.06519	1.3
74.82716	1.5
77.03881	1.7
79.05483	73.7
81.02924	2.9
81.03407	67.5
81.07043	74.2
83.04964	23.5
83.08603	27.3
85.02894	32.4
85.06515	5.6
86.09695	12.3
90.87937	1.3
91.05466	100.0
93.07033	72.4
94.84379	1.6
95.04377	2.9
95.04952	40.3
95.08590	42.5
97.02878	5.5
97.06509	9.2
97.10139	7.5
97.79974	1.3
99.04435	2.0
99.08064	3.0
103.05460	2.2
105.07015	96.3
107.04955	12.3
107.08576	37.6
109.06489	10.7
109.10149	15.9
111.04386	2.8
111.08071	14.0
113.06010	2.0
115.05457	5.6
117.06242	3.0
117.06999	26.6
119.08567	76.7
121.06539	3.5
121.10130	33.3
123.08044	5.4
123.11697	5.1
124.99995	9.2
125.09610	3.9
128.06177	3.0
129.05492	1.9
129.06987	25.5
131.08539	39.3
133.06476	4.5
133.10110	56.5
135.08008	3.1
135.11662	23.5
137.09605	4.3
141.06995	4.0
142.07722	7.3
143.08540	11.0
145.10123	26.4
147.08038	5.0
147.11668	58.2
147.12852	3.2
149.09584	9.4
149.13225	10.1
151.11115	2.4
155.08566	4.5
157.10115	30.6
159.11664	19.5
161.13229	27.5
163.11134	3.5
163.14838	2.7
165.12721	3.3
167.08511	1.7
169.10115	4.6
170.10834	1.6
171.11627	12.9
173.09549	2.1
173.13210	11.6
175.11145	15.7
175.14799	12.0
181.10187	3.0
181.12254	1.3
183.11685	4.3
184.07326	46.1
185.13245	11.7
187.14775	4.4
189.11189	2.1
193.12210	48.8
193.13971	2.6
195.11723	2.5
197.13170	4.4
199.11287	1.7
199.14810	7.2
203.14217	1.8
211.13258	67.0
213.16364	2.8
215.17821	2.3
223.14767	2.3
227.12740	4.9
229.14294	2.4
231.21030	4.3
237.16197	1.7
241.19504	26.0
253.14397	1.6
257.19104	3.7
259.20544	76.3
261.22177	1.6
265.14105	1.5
267.15851	30.0
275.20126	2.4
277.21548	2.3
283.15390	6.1
285.16919	79.1
297.22052	1.9
299.39767	1.6
301.21564	1.8
315.23105	8.0
333.24182	72.9
334.24030	1.6
335.25848	3.5
349.23929	1.9
351.25226	1.6
415.30270	2.0
422.70755	1.6
433.30936	8.1
451.31976	11.9
469.33243	6.7
487.34552	2.1
507.34494	4.5
515.36694	4.7
525.28168	2.4
525.35693	37.0
543.36731	99.4
544.37177	3.3
561.37427	3.4
651.39075	1.9
669.39948	2.2
758.42786	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
54.75096	1.4
55.01859	3.6
55.05229	1.7
55.05501	28.4
57.03428	19.5
57.07062	3.4
61.02906	3.9
64.90130	1.3
65.03924	3.4
67.05492	55.3
69.03403	6.1
69.07060	18.0
69.73359	1.3
71.04969	6.3
73.02890	1.6
79.05479	63.0
81.03407	49.4
81.07042	58.0
83.04971	11.9
83.08608	25.3
85.02901	19.7
85.06535	4.5
86.09673	3.3
91.05464	87.1
93.07031	66.0
95.04957	27.3
95.07986	2.3
95.08590	40.6
97.02885	3.8
97.06528	5.3
97.10168	8.9
99.04466	1.6
99.08096	2.9
103.05464	2.7
105.07016	85.8
107.04961	6.9
107.07896	2.4
107.08579	34.4
109.06476	8.2
109.10133	13.8
111.04418	3.9
111.08060	9.3
113.06016	1.9
113.09570	2.1
115.05453	3.2
117.06998	20.8
117.70756	1.5
119.08562	72.7
120.08907	1.6
121.06480	3.1
121.10130	27.2
123.08085	4.2
123.11685	4.1
125.09633	3.3
128.06245	3.4
129.06976	24.5
131.08540	38.1
133.06517	2.8
133.10109	54.9
135.08012	2.3
135.11667	15.8
137.09630	5.0
139.03941	1.9
141.06992	1.9
142.07761	4.2
143.08543	12.9
145.10112	24.4
147.08025	3.6
147.11662	55.8
148.11900	1.6
149.09596	8.1
149.13268	11.2
151.11276	1.8
155.08545	3.3
157.10101	26.0
159.11687	19.8
161.09619	1.6
161.13242	29.0
163.11148	5.5
163.14825	3.6
165.12762	4.0
169.10097	3.3
171.11635	13.3
173.09528	1.9
173.11841	2.2
173.13214	12.8
175.11200	12.8
175.14816	12.5
177.12668	2.0
183.11682	4.2
184.07310	10.2
185.13190	10.7
187.14790	3.7
189.16344	1.8
193.12221	37.6
195.11694	1.8
197.13152	2.9
199.13271	1.5
199.14822	7.1
201.16473	1.6
209.13184	2.9
211.13246	44.8
211.15091	2.9
213.16467	2.6
215.17912	1.7
217.15912	1.8
227.12733	4.7
229.14265	2.6
231.17497	1.8
231.21008	7.2
241.19467	30.1
257.19122	2.6
259.20535	81.4
260.20959	2.2
261.22168	2.9
265.14148	1.6
267.15820	21.5
269.17484	1.6
275.19940	1.9
277.21634	4.1
283.15372	3.7
283.20340	2.0
285.16895	57.9
297.22134	2.8
299.23621	2.5
301.21655	1.7
315.23108	8.0
331.22571	1.9
333.24188	68.0
334.24933	2.5
335.26202	3.0
415.29819	2.0
433.31039	8.8
435.27637	1.6
451.32159	9.0
469.32877	5.4
487.33185	1.5
507.34534	3.4
515.37158	5.3
523.27496	1.4
525.35815	39.5
526.35730	2.7
543.36725	100.0
544.37097	4.2
561.37738	3.5
687.41162	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01863	6.1
55.05502	26.1
55.56304	0.8
57.03427	17.9
57.07061	2.1
59.04984	1.3
60.11662	0.8
61.02918	6.3
65.03927	3.6
67.05492	80.9
67.23435	1.0
68.05819	1.3
69.03426	2.7
69.07056	21.1
71.01337	2.5
71.04981	5.7
71.08634	1.2
71.50721	1.8
73.02897	2.7
74.63094	0.9
79.05479	59.3
81.03401	16.7
81.07040	74.0
81.74821	0.9
82.07382	0.9
83.01339	2.1
83.04962	18.1
83.08601	15.0
85.02879	10.2
85.06532	3.6
86.09684	4.7
91.03964	1.6
91.05463	38.5
91.06025	2.0
93.07026	69.5
94.07378	0.9
95.04949	17.3
95.08588	54.5
97.02879	10.9
97.06510	9.2
97.10143	5.8
99.04440	2.9
99.08086	1.9
101.02351	1.2
103.05466	1.1
105.03357	0.8
105.04498	1.2
105.07010	25.5
107.04924	10.9
107.08572	39.7
109.02866	1.9
109.06487	6.1
109.10139	24.4
109.10855	2.0
111.04430	11.2
111.08031	5.2
111.11690	1.0
113.05982	1.2
113.09673	0.9
113.90739	0.9
115.05436	1.4
117.06999	15.3
119.08556	26.4
119.47172	0.8
121.06493	4.3
121.10124	34.0
123.04377	2.0
123.08046	7.1
123.11691	7.2
124.99961	3.1
125.05949	2.6
125.09618	4.4
127.03888	1.5
129.06978	4.9
130.07761	1.3
131.08545	19.5
133.10106	17.3
134.10474	0.9
135.08035	2.8
135.11659	28.8
137.09607	4.1
137.13223	2.0
139.07509	1.0
139.11169	2.3
141.06949	1.1
142.32310	0.9
143.08571	2.9
145.06470	2.5
145.10107	28.0
147.08008	3.8
147.11641	8.5
149.09579	5.0
149.13210	7.0
151.11168	2.9
153.12724	9.4
155.08514	4.9
157.10123	2.3
159.08076	1.0
159.11681	8.5
161.09576	1.0
161.13284	5.0
161.14447	1.0
163.11159	28.5
163.14790	4.4
171.11682	2.1
173.09596	7.6
173.11806	1.5
173.13191	6.8
175.11156	1.9
175.14824	2.7
177.12746	1.2
179.10629	1.6
181.12181	6.5
183.11755	1.3
184.07307	16.5
185.07721	1.1
185.09784	0.9
185.13269	1.5
187.14847	3.2
189.11180	1.5
189.12790	1.3
191.10634	9.5
193.12271	1.1
199.14854	1.8
209.11679	32.6
211.14864	0.9
227.12761	16.1
227.16298	1.2
229.14331	2.1
241.19444	1.6
243.21135	5.0
245.13744	1.2
253.14220	1.3
259.20572	2.8
261.22089	14.4
265.14340	1.5
267.15881	2.0
271.20663	1.1
273.22104	1.8
277.21466	1.0
283.15356	57.0
284.77277	0.9
285.16919	1.4
289.21542	2.1
297.22217	1.3
299.14737	1.9
299.23547	2.5
300.15286	1.6
301.16403	50.3
315.23294	3.8
317.21436	1.3
317.24765	3.6
333.24210	3.5
335.25751	100.0
336.26141	3.2
339.23315	0.9
347.26270	1.0
423.32407	2.0
433.31015	8.0
451.32001	9.8
469.33142	8.6
487.34116	2.3
501.35583	1.1
507.34610	1.2
515.36920	1.3
525.35712	15.8
543.36700	88.8
544.37274	3.1
561.37744	48.0
562.37988	1.2
579.38397	1.1
758.56824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01867	6.6
55.05499	21.2
57.03423	13.8
57.07061	3.9
58.54129	0.9
59.04982	1.9
61.02922	4.1
63.43344	0.7
65.03933	3.3
67.05492	69.7
68.05816	1.0
69.03415	4.1
69.06677	1.0
69.07051	20.7
71.01344	3.0
71.04985	5.9
71.08604	1.2
73.02911	1.8
78.79686	0.8
79.05478	55.6
81.03403	18.1
81.07041	63.9
83.01334	2.3
83.04964	16.8
83.08601	12.8
85.02881	9.2
85.06526	2.7
86.09698	1.7
91.03942	1.4
91.05465	35.9
93.07026	67.1
95.04945	11.7
95.08588	48.1
97.02872	10.7
97.06511	7.2
97.10136	5.0
99.04433	1.8
99.08083	1.8
103.05411	1.0
105.07010	21.6
107.04933	12.7
107.08571	35.2
108.08876	1.0
109.02850	1.3
109.06487	5.5
109.10126	22.6
110.10508	0.9
111.04427	8.8
111.08067	4.7
111.11691	1.5
115.05435	1.1
117.06999	13.1
119.08559	23.3
121.06477	3.4
121.10123	34.4
123.04440	1.5
123.08046	6.7
123.11685	5.2
125.05987	1.6
125.09589	3.1
127.03893	1.5
129.06949	3.7
130.07744	1.6
131.08539	17.7
133.10110	12.0
134.28600	0.8
135.08043	4.2
135.11665	28.2
136.11922	1.0
137.09592	3.2
137.13208	1.7
139.11165	4.0
143.08566	2.9
145.06491	1.8
145.10092	24.1
147.08025	4.3
147.11668	8.5
149.09586	3.7
149.13228	6.2
151.11198	1.1
153.09082	1.0
153.12711	11.0
155.08510	4.7
157.10098	1.7
159.11661	6.7
161.09592	1.2
161.13243	3.8
163.11154	31.0
163.14807	3.2
167.10632	1.9
171.10129	0.8
171.11681	2.0
173.09566	6.4
173.11902	1.3
173.13162	4.7
175.11111	0.8
175.14819	1.4
177.12730	1.6
179.14252	0.9
181.12219	7.6
183.10040	1.0
184.07285	4.0
185.13248	1.1
187.14790	1.9
189.11244	0.9
191.10660	9.0
193.12183	1.2
195.52586	0.9
201.16302	1.2
209.11681	24.7
213.14699	0.9
227.12718	17.6
227.14735	1.3
229.14407	1.6
241.14326	1.1
241.19447	1.7
243.21025	4.6
245.13821	4.6
257.13852	1.1
259.20590	2.5
261.22086	13.8
265.14368	4.4
267.15833	1.2
273.21973	0.8
277.21637	1.2
283.15353	31.9
299.23611	2.6
301.16400	61.2
302.16693	1.5
315.23233	1.1
317.24759	3.2
333.24161	1.9
335.25739	100.0
336.26080	3.6
363.96863	1.0
375.25375	1.0
433.30975	3.0
451.32129	5.2
469.33020	3.3
487.34152	2.2
507.34937	0.9
515.37103	1.2
525.35638	10.4
543.36694	53.7
544.37024	2.4
561.37738	84.2
562.38306	4.2
579.39282	1.3
616.62402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2171
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03944	0.3
55.01854	0.3
55.05497	0.8
57.03426	5.0
57.43911	0.2
61.02915	0.5
67.05499	0.2
68.99783	0.4
69.03415	2.3
69.50146	2.3
71.01329	0.5
71.04977	30.1
72.05309	0.4
73.02895	2.1
75.04463	1.7
80.51738	0.2
81.03409	0.9
82.65518	0.2
83.04965	3.7
85.02887	37.4
86.03216	0.2
87.04447	0.8
95.04934	0.9
97.02860	1.2
97.06516	0.3
98.21430	0.5
99.04438	1.2
101.06042	0.2
103.03973	0.3
107.04962	0.3
109.02831	1.2
111.00768	0.8
111.04416	3.6
113.05992	0.4
117.05450	1.1
121.02841	1.9
123.04362	0.3
127.03891	1.8
129.05450	9.8
133.02824	0.3
135.04419	0.2
137.02304	2.7
138.02669	0.2
141.76593	0.2
145.04988	0.8
147.04422	0.6
147.06490	2.9
149.02304	0.4
153.01807	3.1
153.05450	1.1
153.16696	0.2
157.05058	0.2
157.06419	0.2
163.03891	0.3
163.06013	1.6
165.01822	1.8
171.06534	0.7
179.83488	0.2
183.02852	1.0
183.06464	0.2
185.02492	0.2
193.08534	0.3
201.05460	0.6
201.07481	0.4
213.05486	0.8
213.07431	0.2
229.04906	2.3
231.06470	0.5
239.09038	1.0
241.04883	0.5
243.06598	0.2
247.06053	0.5
257.04459	1.8
257.10184	0.4
258.05316	0.6
274.04562	0.3
275.11340	0.5
285.03958	0.7
287.05435	100.0
288.05798	4.0
295.05984	0.2
299.05298	0.3
302.04315	0.3
303.04926	78.9
304.05298	3.0
315.04709	1.1
327.04962	0.7
329.06378	0.3
345.06018	2.3
353.06509	0.3
369.06143	0.6
395.07666	0.6
413.08456	1.1
431.09668	1.0
449.10709	27.8
450.11081	1.4
465.10208	22.8
466.10443	0.9
538.42334	0.2
611.16046	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
54.81741	0.6
55.01620	0.9
55.01862	9.7
55.05503	14.0
57.03427	7.2
57.07054	0.8
61.02916	0.8
64.86675	0.7
65.03932	1.3
67.05494	28.1
69.03410	2.6
69.07057	23.2
70.01819	1.3
70.02232	2.8
71.04971	2.5
73.02914	0.7
73.06525	0.6
78.37326	0.6
79.05479	24.8
80.05843	0.7
81.02926	1.1
81.03407	24.9
81.07041	39.7
82.07401	0.6
83.04965	9.5
83.08607	11.1
85.02890	10.3
85.06534	2.2
86.09692	0.8
91.05466	44.9
92.05779	1.0
93.07029	24.1
95.01314	6.1
95.04955	14.6
95.08592	23.2
97.02872	2.4
97.06514	19.1
97.10152	2.7
98.21383	0.6
99.08108	0.9
101.05984	0.9
103.05452	1.7
105.07014	58.3
106.07314	1.0
107.04939	13.3
107.08580	13.9
109.06509	5.6
109.10133	6.3
111.04437	1.5
111.08068	5.6
113.06042	0.8
115.05448	1.1
117.06989	9.5
119.04879	0.7
119.08561	32.0
120.08879	0.9
121.06467	3.0
121.10132	8.7
123.04449	1.7
123.08035	3.8
123.11659	1.9
125.09616	1.8
127.03851	0.9
127.07519	1.2
127.48306	0.6
128.06215	0.7
129.06978	5.7
130.07832	1.0
131.08543	20.0
133.06461	1.3
133.10106	32.0
135.08035	1.8
135.11676	5.0
137.09621	2.3
139.03918	0.9
141.06978	0.7
142.07771	1.6
143.08472	3.0
145.06474	0.9
145.10107	11.2
147.07991	1.5
147.11656	16.0
149.09587	7.9
149.13239	2.4
151.11198	1.5
155.08521	1.5
157.10103	7.0
159.11678	9.4
161.09631	1.0
161.13269	4.3
162.39438	0.6
163.11177	3.4
165.09082	1.5
165.12750	1.7
169.10117	1.9
170.43605	0.6
171.11636	2.2
173.13249	2.0
175.11162	6.0
177.12769	3.3
179.14290	8.2
183.11711	1.8
184.07347	1.6
187.11156	2.2
193.12222	11.9
193.13976	0.9
195.13913	0.9
197.13268	1.2
199.99857	0.7
201.12746	0.7
205.12187	0.6
211.13258	14.1
211.15088	1.2
219.13963	0.6
219.17407	11.1
229.19641	0.7
239.17883	0.8
241.14290	0.8
247.20520	1.5
255.74593	0.8
257.19070	3.9
267.15848	15.0
275.20020	58.0
276.20288	1.1
279.15945	1.6
283.15366	0.7
285.16910	27.4
286.17435	0.8
287.05496	1.0
293.20953	3.7
308.51233	0.6
349.23697	30.0
350.23911	1.1
541.35187	53.3
542.35718	3.4
559.36224	100.0
560.36578	8.5
577.37128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.8
55.01868	11.1
55.05501	29.1
57.03429	15.2
57.07045	2.5
59.04978	3.0
61.02906	5.4
64.67056	1.2
65.03933	3.2
65.99437	1.1
66.88008	1.3
66.98697	1.3
67.05492	42.4
68.02222	1.3
69.03416	4.9
69.07053	15.5
70.99810	3.0
71.00206	2.5
71.01331	1.5
71.04980	5.7
73.02901	1.5
79.05478	55.3
81.03406	17.5
81.07037	50.5
83.01318	11.1
83.04964	15.4
83.08591	20.3
85.02898	8.1
85.06531	3.2
86.09683	3.0
91.05463	67.1
93.07027	72.1
95.04951	15.8
95.08591	34.0
97.02866	4.7
97.06510	10.3
97.10148	8.7
99.04430	3.4
99.08095	2.9
103.05447	1.9
105.07011	68.4
107.04933	11.5
107.08574	42.0
109.06496	10.1
109.10143	12.0
111.04444	2.2
111.08064	3.9
115.05444	2.0
117.06991	25.2
119.08557	53.0
121.06479	4.7
121.10124	28.4
123.08051	11.1
123.11681	4.2
125.05936	1.6
125.09611	8.6
128.06221	2.5
129.05489	1.5
129.06976	12.2
130.07768	2.5
131.08530	23.9
133.10100	40.6
135.08020	3.7
135.11667	26.4
137.09569	3.8
142.07768	2.2
143.08536	12.9
145.06396	2.0
145.10097	41.1
147.08034	3.3
147.11658	32.2
149.09612	4.2
149.13249	8.3
151.11205	2.0
153.12724	3.9
155.08507	4.8
157.10107	8.0
159.11687	16.4
161.09608	2.1
161.13235	25.3
163.09909	2.5
163.11159	28.7
163.14757	2.2
169.10168	2.0
170.00089	1.3
171.11668	16.1
173.09599	5.1
173.13211	11.1
175.11209	3.3
175.14772	9.6
181.12190	5.2
181.13763	1.4
183.11647	4.0
184.07376	8.4
185.13261	11.8
187.14813	4.9
189.11255	6.7
189.12735	2.6
191.10638	4.2
191.14447	1.5
193.12282	3.2
197.13301	2.2
199.14806	6.1
201.16347	1.6
209.11594	10.1
211.13213	3.4
213.16333	2.6
221.13165	2.3
227.12738	21.1
231.21028	6.0
241.19460	22.4
255.15852	1.7
257.18936	3.4
259.20535	67.8
260.20819	2.4
267.15781	2.8
275.20166	6.5
277.21851	2.1
279.21060	1.8
283.15356	97.9
285.16995	4.8
291.19470	2.1
297.22168	8.3
313.21753	1.5
315.23260	9.9
333.24191	52.2
334.24588	1.5
349.23871	1.8
367.22488	2.2
421.30917	3.3
431.29462	6.9
449.30432	10.5
467.31534	9.0
485.32565	4.6
505.33243	1.8
513.35321	4.8
523.34094	13.3
541.35175	100.0
542.35254	4.6
559.36273	30.8
649.36481	1.5
667.38293	2.0
685.38568	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	3.1
53.03931	2.4
55.01856	3.5
55.05500	18.3
57.03143	0.7
57.03426	12.1
57.07051	1.9
59.04985	2.2
61.02916	4.2
65.03923	1.7
67.05491	49.2
68.05838	0.5
69.03416	2.8
69.07053	13.8
69.51820	4.0
71.01330	1.5
71.04974	2.3
71.08620	0.8
73.02898	1.7
73.06538	0.4
79.05477	31.4
81.03410	4.3
81.07038	51.4
82.07365	0.6
83.04968	3.2
83.08600	14.7
85.02886	3.9
85.06524	2.3
85.17686	0.4
86.09695	0.6
87.04466	0.5
91.03938	1.7
91.05460	31.3
92.05765	0.6
93.07024	42.4
94.07362	1.0
95.04948	6.6
95.08588	36.0
96.08892	0.4
97.02869	6.0
97.06506	4.4
97.10150	3.2
99.00794	16.1
99.04446	1.2
99.08067	1.3
103.05463	1.3
105.04453	0.6
105.07010	23.8
106.07316	0.4
107.04950	4.7
107.08570	25.7
109.02854	9.2
109.06500	2.9
109.10135	17.2
110.03172	0.5
111.04430	1.3
111.08066	4.5
115.03895	2.3
115.05415	0.8
117.06983	7.0
119.04945	0.4
119.07705	0.9
119.08556	16.7
121.02843	0.6
121.06474	7.4
121.07279	0.5
121.10122	15.1
123.04430	1.7
123.08063	2.4
123.11694	6.7
125.00014	0.5
125.09603	0.9
127.03889	3.8
127.07564	0.8
128.06200	1.4
129.05565	0.5
129.06979	1.5
131.08536	10.0
133.06514	1.6
133.10100	39.2
134.10422	0.4
135.08026	1.4
135.11662	11.2
137.05965	1.3
137.09566	1.8
137.13246	1.2
139.03883	0.5
139.07494	2.9
139.11147	0.4
141.05482	0.5
143.08537	5.5
145.06436	1.4
145.10091	7.7
146.07162	0.6
147.08044	1.7
147.11647	5.2
149.09602	1.7
149.13219	6.1
149.14391	0.4
151.07578	0.5
151.11148	11.3
153.06967	0.6
153.09062	0.4
157.10085	1.2
159.11664	4.4
161.09581	16.2
161.13203	3.4
163.11183	1.7
163.14809	3.5
165.09129	0.9
165.12770	0.5
169.10036	0.5
171.07999	3.2
171.11746	0.6
173.09593	0.4
173.13226	4.7
175.14832	1.5
177.16411	1.1
179.10628	9.5
179.14119	0.4
184.07291	3.0
185.13222	0.5
187.14758	2.0
188.23312	0.4
189.09073	8.0
189.10954	0.7
197.11703	2.5
197.13293	0.5
201.16325	0.9
204.45221	0.4
207.10095	3.4
225.11166	11.8
227.12711	0.8
233.22629	0.5
241.19498	0.6
243.12213	2.8
243.20996	5.8
259.20535	1.1
261.22079	18.6
262.22620	0.6
273.22174	0.7
275.20016	0.5
277.21646	1.3
279.23087	1.1
281.13782	4.1
283.15503	0.5
287.23755	0.8
299.14838	89.9
300.15198	1.6
315.19904	0.5
315.23035	2.6
317.24664	3.0
333.24142	0.9
335.25729	100.0
336.26059	2.9
421.30774	1.0
423.32516	0.5
431.29410	0.9
439.31915	1.1
449.30429	1.7
457.32947	1.1
467.31412	5.0
485.32767	3.0
513.35699	3.5
515.36945	1.5
523.34015	0.9
527.25830	0.4
531.36731	2.3
541.35089	11.3
542.35364	0.6
559.36188	53.3
560.36499	2.2
577.37189	1.6
614.44525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.1
53.03940	2.3
55.01860	3.0
55.05500	16.3
57.03150	0.7
57.03427	9.8
57.07050	1.6
59.04996	1.9
61.02915	3.7
63.81153	0.4
65.03920	1.7
65.52248	0.4
67.05492	36.6
69.03424	2.2
69.06725	0.7
69.07056	8.2
69.51848	3.6
70.12588	0.4
71.01338	1.3
71.04987	2.1
71.08609	0.5
73.02885	1.6
77.03889	0.7
78.87008	0.4
79.05476	22.5
81.03406	3.7
81.07040	40.3
82.07385	0.4
83.04955	2.1
83.08607	12.3
85.02885	3.4
85.06538	1.9
86.09671	1.0
87.04460	0.5
91.03942	1.1
91.05463	22.2
93.07027	33.3
94.07341	0.5
95.04955	5.4
95.08588	26.8
97.02877	4.5
97.06506	3.9
97.10153	3.1
99.00800	15.1
99.04480	0.6
99.08070	1.1
101.02347	0.7
103.05462	0.9
105.07010	18.4
107.04933	5.5
107.08571	18.2
109.02862	7.1
109.06455	2.0
109.10137	14.2
111.04419	1.2
111.08050	3.8
113.05975	0.8
115.03895	2.4
117.06985	5.6
118.88759	0.4
119.04916	0.8
119.08557	12.3
120.42645	0.4
121.02926	0.5
121.06493	6.5
121.10119	11.0
123.04404	1.5
123.08052	1.3
123.11674	4.9
125.09597	0.8
127.03889	3.5
127.07533	0.4
128.06174	1.2
129.06972	0.8
131.08546	5.6
133.06471	0.9
133.10103	35.7
134.10474	1.0
135.08014	1.1
135.11668	9.2
135.12512	0.2
137.05939	1.3
137.09576	1.5
137.13260	1.3
139.03880	0.4
139.07524	3.1
143.08542	3.9
143.19691	0.4
145.06474	0.9
145.10080	4.8
147.08023	1.0
147.11641	3.6
149.13228	4.4
151.11147	10.2
153.06973	0.6
153.09055	0.4
153.12624	0.4
155.08546	0.4
157.10107	0.6
159.11659	3.4
161.09584	15.7
161.13216	2.5
163.11157	1.0
163.14783	2.7
165.09076	0.9
171.08022	3.7
173.13185	3.5
175.14740	0.9
177.16359	0.8
179.10657	9.0
179.14301	0.5
184.07315	1.3
187.14824	1.4
189.09073	7.5
189.11035	0.7
189.16354	0.5
197.11682	2.6
201.16345	0.8
205.15875	0.6
207.10141	3.1
207.84218	0.4
225.11177	12.4
227.12787	0.9
243.12286	2.7
243.21025	4.7
251.50282	0.4
261.22086	13.8
262.22470	0.6
277.21710	1.0
279.23093	0.5
281.13791	3.1
283.15302	0.6
287.23624	0.7
299.14841	100.0
300.15201	3.5
315.23099	2.8
317.24704	2.6
335.25735	70.8
336.26175	2.8
353.26752	0.7
421.30997	0.7
439.32114	0.8
449.30469	1.5
457.32834	0.5
467.31387	3.9
467.83710	0.5
477.62640	0.5
485.32651	2.6
513.35657	2.3
515.37238	1.2
531.36774	1.8
541.35077	7.1
542.35254	0.8
559.36212	32.5
560.36346	2.4
577.37219	2.3
760.49164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.3
55.01863	3.2
55.05501	11.9
57.03428	8.6
58.01262	0.5
59.04972	0.7
65.03922	0.7
67.05492	15.1
69.03415	3.2
69.03704	0.7
69.06738	0.4
69.07064	4.2
71.04949	2.2
71.23725	1.2
79.05016	0.7
79.05480	19.1
81.03406	41.6
81.07040	16.2
82.03721	0.6
83.04972	4.0
83.08168	0.9
83.08609	14.0
85.02873	1.3
85.06521	1.1
91.04914	0.7
91.05460	14.2
93.07027	13.5
95.04953	20.1
95.08594	7.8
97.02856	1.6
97.06532	3.1
97.10151	14.6
105.07011	10.7
107.04936	12.2
107.08580	9.7
109.06491	9.0
109.10131	5.4
111.04408	1.7
111.08073	5.2
115.05438	1.3
117.06995	4.5
119.04887	1.0
119.08555	9.3
121.06488	10.6
121.10135	7.1
123.04385	1.8
123.08057	4.0
123.11652	1.2
125.05947	0.9
125.09602	13.2
129.06970	6.8
131.04868	1.8
131.08543	9.2
133.06474	3.9
133.10114	4.5
135.08023	4.3
135.11684	1.4
137.05927	0.6
137.09602	1.9
139.11095	0.6
139.91512	0.5
141.06947	1.6
142.07758	1.6
143.08524	2.1
145.06453	5.8
145.10103	4.0
147.04355	1.9
147.08012	4.1
147.11687	7.0
149.05916	1.0
149.09578	4.3
151.07523	0.7
151.11047	0.7
153.09102	3.8
153.12694	1.6
155.08543	1.7
157.06438	1.4
157.10121	7.6
159.08060	1.3
159.11644	1.9
161.05963	1.1
161.09595	1.9
163.07527	0.5
163.11133	3.4
165.12730	1.5
167.08559	1.2
167.10661	1.6
169.10081	1.7
171.08020	1.9
171.10153	1.2
171.11635	2.5
173.09587	1.6
173.11758	0.5
173.13229	1.4
175.11169	5.8
177.12679	1.4
181.10075	0.8
183.08022	0.9
185.09552	1.5
187.11131	1.5
187.14760	1.1
189.11179	7.0
189.12747	1.5
191.10616	0.8
191.14244	1.0
193.10506	1.1
193.12219	14.4
195.07991	0.8
195.11624	1.3
197.09537	1.1
197.13248	0.9
199.11147	1.9
199.13185	1.1
201.12717	0.7
203.10576	0.6
203.14279	1.3
205.12141	1.6
205.15691	0.6
209.13232	0.8
211.11325	0.6
211.13261	2.0
213.12688	1.1
215.14265	2.6
217.12251	1.0
219.11894	0.7
219.13719	2.9
223.11198	1.1
223.13342	1.3
225.12668	0.9
227.12454	2.6
227.14574	1.0
231.13766	1.2
233.15308	4.7
235.11137	0.8
235.13243	1.0
237.12686	2.0
237.14922	0.9
239.14265	0.7
241.14417	0.9
245.15311	1.4
249.14948	1.5
255.13753	2.1
257.15323	0.9
259.13211	1.4
267.15872	34.7
268.16190	1.8
273.14658	6.6
275.16556	1.0
287.16342	0.6
289.18063	0.5
293.17535	1.6
321.22125	0.9
331.20383	0.8
339.23355	2.8
349.21518	4.7
357.24173	2.3
367.22604	12.9
385.23639	21.6
386.24020	1.1
403.24677	8.1
405.24249	0.9
423.25369	0.7
441.26328	10.1
442.27087	0.9
459.27350	100.0
460.27567	7.0
477.28409	93.6
478.28705	6.4
491.29935	12.9
492.30209	1.0
501.28290	1.9
509.31189	4.7
541.33478	1.6
543.29504	0.8
567.29431	1.9
585.30530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01867	6.2
55.05504	34.5
57.03429	20.0
57.07065	5.7
59.04981	1.8
60.08130	1.4
61.02926	7.1
65.03936	4.1
67.05497	100.0
69.03422	8.4
69.07056	24.2
71.04987	4.2
71.08626	3.5
71.81811	1.8
73.02888	1.7
79.05008	2.2
79.05482	69.9
81.03403	12.5
81.07043	87.5
83.04977	10.9
83.08607	18.6
85.02900	10.2
85.06526	4.0
86.09701	12.0
91.03949	3.6
91.05469	41.1
93.07033	76.7
95.04955	27.9
95.08600	60.1
95.09081	1.2
97.02894	5.8
97.06509	6.3
97.10143	16.5
99.04440	3.1
103.04008	1.4
105.04507	1.7
105.07018	25.2
107.04945	9.1
107.08577	41.5
109.02868	3.1
109.06502	4.5
109.10145	36.7
109.10858	2.4
110.83410	1.3
111.04441	1.7
111.08074	4.1
117.07004	21.4
119.08569	21.0
121.06513	7.2
121.10119	27.6
123.08065	4.7
123.11662	6.4
125.00006	7.5
125.06066	1.7
125.09602	15.1
129.06996	4.6
131.08551	23.8
133.10124	16.4
135.08060	5.0
135.11656	17.1
137.09605	2.1
137.13237	2.6
141.06964	1.6
143.08542	5.0
145.10092	15.5
147.11685	8.7
147.12674	1.6
149.13231	8.1
153.09105	2.2
155.08534	3.0
155.10626	2.0
157.10144	4.8
159.11664	14.7
161.13266	6.0
163.11156	2.8
163.14812	3.4
169.10112	5.3
171.10132	1.8
171.11667	2.6
173.11716	3.5
173.13245	7.0
175.14838	2.0
177.12750	4.5
184.07333	37.2
187.11223	3.3
187.14781	2.7
187.33836	1.3
189.11154	10.5
197.13109	1.8
201.16374	1.6
205.12210	5.7
223.13263	62.1
224.13646	1.4
227.12775	9.4
229.14330	12.4
238.25032	1.3
243.21065	6.2
255.85716	1.5
259.20441	3.1
261.22134	18.1
263.64026	1.6
279.15891	2.7
297.16925	90.3
298.17267	2.9
313.27316	5.5
315.23071	1.5
317.24734	2.3
329.24353	2.1
333.24142	1.3
335.25781	99.4
336.26205	3.5
447.32007	1.5
465.33533	4.2
483.34842	3.2
489.35739	14.1
529.38855	2.8
539.37408	8.6
557.38330	79.8
558.38593	5.1
575.39240	2.8
613.47485	1.7
650.43866	2.9
664.64215	1.4
754.47791	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
54.61872	0.8
55.01864	5.6
55.05502	7.1
57.03420	3.0
57.07051	0.7
59.04998	0.6
61.02896	0.6
65.03928	2.1
67.05495	15.0
69.03409	0.9
69.07058	9.8
70.06543	0.7
71.04990	3.7
73.82384	0.5
79.05482	16.0
81.03412	5.7
81.07042	23.6
83.01328	2.1
83.04967	5.8
83.08607	6.0
85.02882	1.4
85.06547	1.2
91.05468	21.2
93.07031	15.4
95.01343	3.2
95.04955	8.3
95.08591	12.5
96.05342	0.7
97.02863	1.0
97.06516	9.0
97.10150	1.1
99.08081	0.7
103.05455	0.9
105.03369	1.1
105.07015	31.5
106.07372	0.9
107.04932	7.9
107.08579	9.1
109.06497	3.7
109.10151	3.8
111.04410	0.8
111.08057	1.1
112.07586	5.1
113.05991	4.6
117.06998	6.5
117.97286	0.6
119.08571	16.2
121.06492	2.2
121.10132	5.0
123.08047	3.5
125.05936	0.7
125.09634	0.9
129.06985	1.7
130.07755	0.7
131.08548	7.6
133.06432	0.6
133.10112	18.4
134.10428	1.3
135.08067	1.6
135.11688	5.2
137.09608	1.1
139.07481	0.7
141.06865	0.9
143.08522	2.0
145.10109	11.1
147.07979	0.6
147.11658	6.7
149.09602	2.5
149.13223	1.5
151.11159	1.2
154.46565	0.7
155.08548	1.4
157.10101	1.0
159.11644	4.3
161.09613	0.7
161.13251	2.0
163.11172	7.3
165.09183	0.7
169.10146	0.7
171.11705	1.1
173.08119	1.5
173.09560	1.0
173.13252	1.7
177.12698	1.3
178.66954	0.6
179.14293	4.6
181.12242	1.1
184.07332	1.2
187.11128	0.9
191.10605	0.8
197.13173	0.9
209.11742	0.9
219.17421	1.6
227.12920	1.2
235.73076	0.5
239.17969	0.8
257.16678	0.6
257.19089	2.0
265.14380	0.7
272.34506	0.6
275.20023	29.5
279.15851	1.0
283.15363	26.8
284.15640	1.4
293.21103	1.7
319.81201	0.7
349.23688	12.4
350.23846	0.7
426.43448	0.6
539.33740	2.3
557.34662	100.0
558.34937	8.8
575.35809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.1
55.01862	12.6
55.05262	1.5
55.05503	22.5
57.03424	16.6
57.07065	1.9
59.04968	1.6
61.02909	2.9
65.03921	2.9
67.05492	54.1
69.03417	18.2
69.07053	10.1
71.01324	2.8
71.04977	13.1
71.79321	1.6
73.02901	3.5
76.75851	1.4
79.05478	42.7
80.06273	1.5
81.03403	100.0
81.07039	37.7
82.03726	2.0
82.04169	2.0
83.01321	2.3
83.04493	1.9
83.04962	25.7
83.08601	26.3
84.05733	2.1
85.02888	24.6
85.06513	4.2
86.09714	1.9
87.04443	2.6
91.05466	43.2
93.07026	33.3
94.04155	2.1
95.04948	36.7
95.05559	2.2
95.08592	18.4
97.02872	18.4
97.06509	10.2
97.09531	1.8
97.10129	13.4
98.03652	8.5
99.04415	6.0
99.08065	2.7
105.03387	2.7
105.07015	26.7
107.04929	18.5
107.08576	17.9
109.02831	7.8
109.06484	8.2
109.10138	22.0
110.07247	5.2
111.04432	9.9
111.08061	10.2
113.05991	5.7
116.04697	1.8
117.07000	8.5
119.04919	1.6
119.07728	1.5
119.08560	23.1
121.02833	3.6
121.06453	4.8
121.10115	16.5
122.08347	1.2
123.04410	7.8
123.08053	8.3
123.11670	3.4
125.05965	2.0
125.09599	13.8
127.03907	12.0
129.05440	5.3
129.06973	11.8
131.04875	2.7
131.08549	15.7
133.06456	4.8
133.10103	17.1
135.04384	2.4
135.08012	3.8
135.11649	6.7
137.02330	2.8
137.09579	4.9
142.07739	2.7
143.07018	1.5
143.08470	2.5
145.06453	2.9
145.10107	12.9
147.04445	1.5
147.08020	6.0
147.11656	17.2
149.09608	8.2
151.11143	2.0
153.05458	3.3
153.09052	6.0
153.12718	3.8
155.08498	2.4
157.08791	1.8
157.10133	14.0
159.08015	1.3
159.11658	1.5
161.06007	1.7
161.09587	2.5
163.11150	15.1
165.12727	5.2
166.08723	1.5
171.10092	1.5
173.04439	25.8
173.09561	4.6
173.11801	7.3
173.13156	2.1
175.11150	15.3
181.12172	5.1
184.07323	3.1
189.11189	3.8
191.10698	7.2
193.10500	2.6
193.12207	48.7
199.06020	10.9
199.13228	3.5
203.38927	1.2
205.12167	1.9
209.11720	10.3
211.13263	58.5
212.13599	2.0
224.14061	2.1
227.12708	12.0
229.14330	7.8
235.13359	1.5
241.14017	1.5
247.13368	1.8
249.14865	1.9
255.15878	1.7
265.14352	3.8
267.15872	35.4
283.15350	13.1
285.16928	31.3
301.16464	4.1
305.22198	1.6
315.17978	5.7
353.15814	2.8
383.22113	2.5
394.78748	1.4
401.23135	1.4
411.20267	2.5
421.25781	10.6
427.19537	2.5
427.26578	2.2
439.26868	52.7
440.26971	3.6
445.20639	3.7
447.27081	2.0
457.25922	7.5
458.62927	1.4
459.27090	3.6
475.26877	20.8
476.27347	4.3
477.28287	5.8
493.27914	20.0
494.28372	2.1
507.29590	8.7
508.30020	2.7
511.28860	11.5
621.32373	2.5
623.10669	1.5
639.33624	6.2
654.16138	1.3
655.32965	6.6
656.34045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.2
55.01859	14.5
55.05503	31.4
57.03425	19.6
57.07065	2.5
59.04984	4.0
65.03942	3.7
67.05492	77.3
69.03422	24.1
69.07053	17.6
71.01328	5.0
71.04987	9.9
71.79385	2.1
79.05479	36.7
81.03403	100.0
81.07040	42.3
82.03670	2.3
83.04964	23.4
83.08600	23.7
85.02888	36.9
85.06542	2.5
85.85179	2.2
91.04977	3.6
91.05479	36.5
93.07028	26.4
95.04948	29.0
95.08598	19.5
97.02866	22.8
97.06520	10.1
97.10147	16.7
99.04436	7.7
100.37534	1.9
103.03886	2.2
105.03354	6.2
105.07027	23.5
107.04942	13.6
107.08585	18.8
109.02876	20.6
109.06512	7.3
109.10144	43.3
111.04425	11.6
111.08073	12.6
115.05415	2.5
117.06976	7.9
117.07745	2.3
119.04858	2.3
119.08567	21.0
121.02814	6.4
121.06479	6.1
121.10099	5.3
123.04406	4.3
123.08040	6.8
123.11701	3.0
125.09605	16.7
127.03874	13.4
129.05452	2.4
129.06982	8.8
131.03418	2.7
131.08540	9.3
133.06499	4.8
133.10121	8.8
135.08041	5.6
135.11682	6.2
137.05992	2.7
137.09570	4.3
143.08562	3.2
145.10127	6.2
147.04318	2.5
147.08061	5.0
147.11647	12.6
149.09587	8.0
153.12747	3.5
155.08539	2.2
155.10638	3.0
157.04938	4.6
157.10121	8.8
161.09555	3.6
163.11148	7.8
165.05490	2.7
165.12660	4.0
171.07988	2.4
171.11638	3.4
173.04451	15.3
173.09628	4.2
173.11719	12.8
175.11121	11.0
181.12137	3.1
183.06535	3.2
191.10631	3.9
193.12224	34.6
199.13173	3.3
200.08276	2.3
202.79141	2.4
209.11743	5.7
209.89180	2.0
211.13258	38.0
217.12192	3.6
227.12720	11.7
229.14285	19.7
235.13416	3.2
236.58377	2.4
249.14844	3.0
267.15802	24.0
277.14127	3.1
283.15329	6.4
285.16885	6.8
291.19482	3.4
301.14221	6.1
309.16742	5.8
311.08820	2.2
319.15585	2.2
358.88141	2.8
388.48758	2.2
409.26089	3.3
421.25705	4.4
425.22968	3.5
439.26880	35.8
440.27283	2.2
463.27206	2.6
493.27448	5.3
511.29425	3.7
570.22449	2.5
579.28943	4.2
609.36115	4.0
753.40283	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	752.514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01859	1.0
55.05499	5.9
57.03146	0.5
57.03429	11.2
57.07065	23.8
60.08158	0.4
67.05496	11.0
67.28551	0.3
68.99833	0.4
69.03415	1.4
69.06723	0.6
69.07057	6.5
69.45703	1.2
69.46125	3.1
71.04969	1.0
71.08620	18.0
76.28097	0.4
79.05482	6.4
81.03403	53.7
81.07038	13.6
82.03744	0.9
83.04980	2.6
83.08604	17.0
85.02885	0.9
85.06526	0.5
85.10165	11.9
86.09698	1.9
89.06010	1.1
91.05463	9.3
93.07023	4.6
95.04948	14.6
95.07980	0.9
95.08586	16.6
96.08907	0.5
97.02866	1.3
97.06528	1.4
97.10156	4.4
99.08152	0.5
99.11686	0.5
101.06079	0.4
103.05454	0.5
103.07567	1.0
105.03374	0.4
105.07005	6.7
107.04939	2.7
107.08586	1.8
109.06472	1.8
109.10138	7.1
111.04409	1.1
111.08047	4.0
111.11711	0.8
115.05440	0.8
117.06973	0.7
117.09053	0.5
119.04939	0.6
119.08559	7.0
121.06486	1.6
121.10124	3.3
123.04398	1.2
123.08044	1.1
123.11684	3.0
124.99978	1.2
125.09544	0.4
128.06174	0.6
129.06976	5.0
131.08540	3.8
133.06474	1.5
133.10121	2.8
135.11665	0.6
137.09590	0.8
137.13243	1.0
139.14848	0.4
142.07768	1.4
145.10106	1.2
147.08011	2.6
147.11641	3.9
149.09593	3.0
157.10106	6.6
159.34100	0.3
163.11147	0.7
163.31226	0.3
165.12727	1.4
175.11154	6.1
184.07310	5.5
193.12201	22.0
205.12265	0.5
211.13306	1.3
229.14473	0.5
235.13237	0.7
239.23695	1.7
249.14825	1.5
257.24756	1.8
259.13202	0.8
267.15860	100.0
268.16110	3.3
299.18680	0.4
301.14352	1.0
309.16867	1.3
313.27307	89.5
314.27643	4.4
333.17004	0.4
375.18195	0.5
431.35190	0.4
505.38791	72.4
506.32272	0.6
506.39194	6.4
523.39740	1.6
547.39789	2.7
601.40765	1.2
613.40533	0.7
631.41235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81610	0.5
53.03904	2.2
55.01841	1.6
55.05502	6.7
57.03428	12.8
57.07065	24.4
60.99834	0.4
61.02900	1.1
65.03914	0.9
67.05495	14.6
69.03371	1.5
69.07058	8.0
71.04958	1.8
71.08617	21.5
71.82251	0.8
79.05476	8.4
81.03403	49.8
81.07043	17.8
83.04962	3.1
83.08602	16.8
85.02852	1.4
85.06500	1.0
85.10165	11.5
89.05985	1.2
91.04924	0.7
91.05460	10.8
93.06493	0.6
93.07032	8.1
95.04950	18.4
95.08591	16.6
97.02823	2.1
97.06483	2.3
97.10151	4.2
99.08060	0.7
105.06426	0.6
105.07012	8.5
107.04937	5.3
107.08566	4.2
109.06508	2.4
109.09412	0.6
109.10127	8.5
111.04421	1.2
111.08067	4.8
111.11661	0.6
115.05420	0.7
117.06976	1.2
119.04903	1.1
119.08562	8.0
121.06469	1.9
121.10120	4.7
123.08009	1.0
123.11662	3.4
125.00006	0.6
125.09601	0.7
129.06972	6.6
131.07759	0.6
131.08546	6.0
133.06483	2.8
133.10132	3.4
135.11636	0.7
137.09544	1.4
137.13196	1.1
140.14023	0.5
142.07726	1.8
143.08522	0.9
145.10051	1.5
147.07991	2.0
147.11655	5.6
149.09624	2.6
157.10104	6.4
161.09550	0.8
161.13220	0.6
163.11140	1.1
165.12724	1.4
173.89311	0.5
175.11150	5.9
177.12663	0.6
178.83669	0.6
179.14268	1.8
184.07361	2.6
193.12210	21.7
194.12515	0.7
203.14166	0.5
211.13223	1.4
221.15343	4.8
235.13242	1.3
239.23622	1.3
249.14845	1.2
257.24722	1.6
259.13382	0.8
267.15863	100.0
268.16260	2.3
273.15231	0.7
295.19073	2.6
301.14206	1.1
309.16870	1.4
313.27304	94.7
314.27652	2.8
319.15744	0.5
335.25687	3.5
411.20703	0.6
505.38794	83.2
506.39096	4.3
523.40192	1.3
547.39954	2.5
555.40399	11.8
601.41119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01866	8.4
55.05259	0.8
55.05500	8.4
57.03421	1.7
61.02876	0.5
65.03950	1.4
67.05492	21.5
68.05828	0.6
69.03417	0.9
69.07056	13.6
71.04977	1.8
72.08092	0.6
73.06540	0.6
79.05482	23.2
80.31260	0.5
81.03408	4.2
81.07041	27.4
83.04970	5.8
83.08610	4.4
91.05464	30.0
93.07026	23.8
95.00782	0.6
95.01324	2.6
95.04951	8.9
95.08594	17.4
97.02885	0.9
97.06511	20.9
97.10154	2.0
98.21446	1.5
105.07010	37.5
107.04929	8.8
107.08585	10.3
109.06478	3.5
109.10125	3.8
111.08059	1.2
115.05502	0.7
117.06974	6.9
119.04937	2.8
119.08556	20.0
121.06502	1.4
121.10100	4.3
123.04465	1.2
123.08079	3.2
125.09623	0.9
128.06131	0.7
129.06995	4.3
131.08546	7.4
133.10109	17.5
135.08066	2.2
135.11673	3.7
137.09641	1.3
139.11177	0.6
143.08563	3.8
145.06473	1.2
145.10103	8.3
147.07993	0.7
147.11664	14.9
148.12024	0.6
149.09583	4.0
149.13266	1.7
151.07515	2.0
151.11107	1.0
155.08461	0.7
157.10147	0.8
159.11699	4.5
161.09601	2.0
161.13239	5.6
163.11160	2.7
165.09103	1.2
169.10089	0.9
171.11664	6.8
173.13287	1.3
177.12750	1.3
179.07034	2.7
179.14296	5.1
183.11661	1.2
184.07391	1.0
187.11189	1.7
189.12747	1.9
207.13765	4.0
209.11638	0.8
219.10175	1.6
229.19376	0.8
229.54800	0.7
247.20590	0.9
257.19055	2.3
259.20444	1.0
263.16333	0.9
271.26355	0.8
275.20010	32.5
276.20477	0.9
279.15973	2.4
281.17432	25.7
293.21164	2.5
302.24698	0.7
304.48843	0.5
334.08990	0.5
349.23685	15.0
350.24463	0.7
459.31186	0.7
537.35663	2.4
555.36731	100.0
556.37103	6.1
573.37848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01865	0.8
55.05499	1.6
57.03425	1.9
57.07063	0.7
57.32946	0.4
59.82643	0.5
61.02916	6.2
67.05495	6.7
69.03426	3.5
69.07056	2.1
71.04987	2.0
71.82021	0.7
73.02907	4.7
79.05474	3.9
81.03404	2.5
81.07043	5.1
83.04961	0.9
83.08601	1.2
85.02890	6.0
86.09689	0.6
87.04486	0.8
91.03934	4.0
91.05469	2.0
93.07037	3.9
95.04957	1.4
95.08588	4.8
97.02883	5.8
97.06516	0.9
99.04451	1.4
101.02369	1.7
105.07030	1.7
107.08608	2.1
109.02898	1.5
109.10139	4.0
111.04403	0.5
115.03979	0.7
117.07001	0.7
117.49876	0.6
119.08575	2.4
121.10129	2.7
125.00043	0.5
127.03907	1.7
131.08582	0.8
133.10153	1.3
135.11670	1.7
137.09625	0.9
138.51170	0.5
145.10170	1.4
147.11682	0.6
149.13165	0.6
159.11746	0.7
160.30678	0.4
163.11269	0.5
173.11746	0.5
184.07364	1.8
185.04192	0.6
241.06346	0.6
243.08363	2.6
253.14137	1.4
267.15994	0.8
270.14603	0.5
313.27298	0.6
335.25931	0.8
344.85278	0.5
431.02148	0.5
471.21964	4.3
519.29340	8.5
571.47937	0.5
593.70227	0.6
749.44373	100.0
750.44635	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	747.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01860	0.5
55.05498	1.8
56.44663	0.1
56.99048	0.1
57.03421	2.4
57.07058	0.6
59.04974	0.2
60.15224	0.2
61.02913	6.7
63.18494	0.1
65.03912	0.3
67.05490	6.3
68.05814	0.2
69.03414	3.8
69.07057	1.5
70.34573	0.3
70.34959	0.5
71.01337	0.6
71.04970	0.8
71.08611	0.3
73.02900	4.5
75.04449	0.2
79.05475	4.0
81.03402	3.3
81.07035	6.3
83.08604	1.0
85.02884	8.3
85.06536	0.3
85.10200	0.2
86.09680	0.5
87.04435	0.4
91.03935	5.0
91.05454	3.3
93.07023	4.7
95.04943	1.5
95.08582	4.6
96.08902	0.2
97.02228	0.3
97.02868	5.9
97.06510	0.6
97.10146	0.4
99.04427	1.2
101.02360	2.5
103.03931	0.5
105.07003	2.3
107.04977	0.2
107.08563	2.6
109.02887	1.0
109.06463	0.3
109.10136	2.1
111.08065	0.4
115.03912	0.5
117.07011	0.5
119.08566	1.6
121.10110	2.1
121.27538	0.1
123.08062	0.2
123.11671	0.8
127.03885	2.3
129.05498	0.2
129.06955	0.7
131.08533	1.6
133.06473	0.2
133.10094	1.2
135.07999	0.2
135.11638	1.0
137.05951	0.1
137.09590	0.2
145.04993	0.4
145.10135	0.6
147.11649	1.1
149.09647	0.4
149.13315	0.3
155.14250	0.2
157.10139	0.7
159.11711	0.4
161.13243	0.3
163.14844	0.1
173.13145	0.2
175.11198	0.5
183.06584	0.2
184.07321	1.4
185.04227	0.8
185.07765	0.2
193.12218	0.8
203.05296	0.6
211.13266	0.4
219.10150	0.3
243.08379	2.3
249.11102	0.3
251.12537	1.5
261.22116	0.3
276.47287	0.2
307.15182	0.3
326.68073	0.2
335.25754	1.0
336.26132	0.2
357.20490	2.0
468.27121	0.2
469.20355	4.2
470.20364	0.2
497.30774	0.3
519.29193	8.4
520.29382	0.7
532.94934	0.2
585.37891	0.2
747.42706	100.0
748.43042	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
53.79637	1.2
55.01869	1.4
55.05502	20.0
57.03433	12.9
57.07069	8.3
59.35676	1.3
61.02904	3.5
65.03943	1.3
67.05495	29.5
68.18853	1.1
68.91766	1.0
69.03412	2.8
69.07057	27.2
71.04970	4.1
71.08611	3.7
71.82364	2.0
73.02894	1.4
79.05483	20.3
80.82845	1.6
81.02917	2.6
81.03403	42.5
81.07045	35.8
83.04978	9.2
83.08607	27.9
85.02895	18.6
85.06542	2.0
85.10157	2.0
91.05471	19.6
93.07036	16.4
95.04955	17.6
95.07993	1.4
95.08597	21.3
97.02898	3.7
97.06506	4.8
97.10151	12.8
99.04443	1.6
99.08083	2.3
105.07012	15.8
107.04937	5.2
107.08568	9.9
109.06492	3.4
109.10138	10.1
111.04420	1.9
111.08067	10.2
111.11743	3.0
113.05982	2.7
117.06991	1.7
119.08576	11.2
121.06472	1.9
121.10140	12.4
123.08062	2.2
123.11663	3.2
125.09644	2.4
129.06990	6.2
131.08528	7.8
133.10104	9.4
135.11678	5.1
137.09619	2.3
137.13264	1.9
140.58928	1.2
142.07758	2.3
145.10078	1.8
147.08035	2.3
147.11687	9.4
149.09595	5.0
149.13216	2.4
157.10106	8.0
165.12794	2.0
175.11176	11.9
184.07326	3.3
185.14055	1.3
193.12222	29.8
195.00272	9.3
211.13261	45.0
265.25208	2.6
267.15845	18.8
285.16919	64.4
286.17239	2.3
339.28891	65.7
340.29211	3.9
491.37152	1.5
497.80566	1.2
525.35284	2.3
531.40692	12.2
549.41437	100.0
550.41766	9.0
575.38519	4.2
651.62317	1.8
697.36395	5.3
746.43640	2.5
747.40259	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	746.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01860	1.7
55.05503	19.8
56.19286	0.7
57.03430	10.4
57.07065	7.0
61.02902	2.8
65.03912	1.4
67.05490	24.1
69.03394	2.3
69.07057	22.2
71.04978	1.7
71.08602	3.6
71.82403	1.4
75.51732	0.8
79.05477	17.2
81.03403	31.6
81.07037	26.8
82.07387	0.9
83.04956	8.2
83.08606	22.6
85.02893	15.3
85.06503	2.1
85.10138	2.3
86.09692	2.9
87.39635	0.9
91.03893	1.0
91.05464	17.5
93.07030	16.8
93.60375	0.9
95.04955	12.0
95.08590	21.2
97.02860	3.1
97.06501	4.2
97.10149	11.2
99.08071	1.2
105.07008	9.2
107.04910	3.0
107.08575	8.0
109.06469	2.5
109.10130	8.6
111.04439	1.1
111.08071	6.6
111.11682	2.6
113.06020	1.2
119.08562	9.0
121.10120	12.9
123.08041	1.7
123.11652	4.4
125.09541	1.5
129.06984	4.6
131.08516	5.3
133.06456	2.0
133.10086	6.2
135.11673	6.8
137.09624	1.2
139.11168	1.3
142.07718	1.6
145.10107	1.7
147.07957	1.3
147.11659	8.3
149.09567	2.5
149.13295	2.4
157.10059	6.9
165.12749	1.8
175.11195	8.1
184.07297	10.9
188.92462	1.3
193.12206	18.4
195.00241	5.5
208.06516	1.1
211.13268	29.6
226.94122	1.1
265.25195	2.6
267.15872	13.6
283.06305	2.1
285.16913	37.7
339.28879	75.9
340.29169	2.6
419.05225	1.1
531.40356	18.1
532.40375	1.2
549.41437	100.0
550.41663	5.6
555.02515	0.9
575.38812	2.8
697.36646	2.3
746.43256	1.2
747.40820	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	745.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01851	0.5
55.05502	1.6
57.03426	2.2
57.07055	0.5
59.04988	0.3
61.02915	7.1
64.90041	0.2
65.03918	0.3
67.05495	6.0
69.03413	3.6
69.07052	1.8
70.41177	0.4
70.41577	0.6
71.00584	0.2
71.01334	0.5
71.04971	0.9
72.71709	0.2
73.02901	5.1
73.66276	0.2
79.05481	4.4
81.03407	2.7
81.07042	6.2
83.01328	0.4
83.04957	0.8
83.08611	0.8
85.02888	6.8
85.06524	0.2
87.04457	0.4
91.03937	4.1
91.05451	2.5
92.05806	0.3
93.07026	5.1
95.04953	0.8
95.08589	4.7
97.02873	6.3
97.06515	0.5
97.10136	0.2
99.04447	1.2
101.02345	2.0
103.03928	0.5
105.07008	2.2
107.04919	0.3
107.08575	3.0
109.02885	0.9
109.06492	0.4
109.10130	2.3
109.53014	0.2
111.08025	0.3
115.03925	0.5
117.07007	0.9
119.08557	1.4
119.27805	0.2
121.10107	2.2
123.08062	0.7
123.11732	0.3
127.03920	1.6
131.08562	1.1
133.10117	0.8
135.11662	1.8
137.08482	0.2
137.13278	0.3
142.51877	0.2
145.04971	0.6
145.10072	1.3
147.11642	0.4
149.09601	0.3
149.13258	0.3
153.12743	0.3
159.11717	0.3
161.13269	0.3
163.11176	1.5
173.13263	0.3
184.07361	0.5
185.04216	1.0
203.05382	0.4
243.08365	2.0
249.11044	0.5
261.22299	0.3
283.15353	0.4
335.25668	1.2
336.26163	0.5
337.26501	0.3
357.20889	0.3
467.18842	4.2
490.36053	0.4
519.29248	9.0
519.36810	0.5
547.39825	0.4
548.39740	0.5
583.36169	0.3
594.71777	0.3
648.26727	0.3
745.41193	100.0
746.41534	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	744.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01873	1.2
55.05501	12.9
57.03421	7.1
57.07060	1.9
59.04998	2.7
61.02913	3.6
65.03935	3.3
67.05492	91.1
68.05826	1.1
69.03411	2.2
69.07054	12.1
69.53889	1.6
69.54301	4.2
71.04978	18.7
71.08610	0.9
73.02906	0.5
79.05479	30.1
81.03418	2.8
81.07040	38.3
83.04945	3.6
83.08604	6.9
85.02879	2.9
85.06554	2.9
86.09679	0.6
91.03948	0.7
91.05461	22.6
93.07025	38.9
95.04942	5.2
95.08586	30.0
96.14283	0.6
97.02882	2.2
97.06498	4.5
97.10156	1.7
99.08073	1.3
105.07006	11.2
107.04942	0.9
107.08569	18.5
109.06498	1.3
109.10136	59.8
110.10480	0.7
111.08066	2.7
115.05489	0.6
117.06995	5.3
119.08557	16.8
121.10111	15.3
121.10951	1.0
121.50871	0.6
123.08057	1.0
123.11688	2.7
125.09644	1.5
127.03889	0.7
129.06976	0.6
131.08549	5.9
133.10104	7.1
135.08090	0.7
135.11676	15.9
137.09583	9.9
143.08549	1.0
145.10109	6.7
147.11647	4.1
149.13242	3.4
151.11116	0.8
155.10667	2.6
157.10083	0.9
159.11621	5.0
161.13177	3.6
163.11113	3.0
163.14882	0.8
169.12190	1.0
171.11659	1.0
173.11734	8.3
173.13257	2.6
175.14822	1.3
181.12222	1.1
184.07291	1.4
187.13356	1.1
187.14818	1.6
193.12164	0.7
211.13239	1.0
213.14886	1.6
229.14392	1.4
243.15909	2.1
245.89845	0.6
247.44861	0.5
255.15881	4.0
259.20535	1.1
261.22137	3.8
285.16772	1.0
287.18448	20.2
287.23456	0.9
308.98459	0.7
317.24698	0.8
335.25717	29.3
337.27353	2.4
361.27585	0.7
365.17966	0.7
379.30023	0.9
389.22095	0.6
392.01846	0.6
397.30905	0.9
423.32724	1.2
448.43402	0.6
471.34735	2.8
489.35675	100.0
490.35953	2.7
503.37308	3.7
515.37189	16.3
533.38647	1.0
547.39844	86.8
548.40118	3.2
565.40857	0.9
633.40540	0.7
692.51129	0.7
727.42627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69503	0.3
53.03934	1.0
54.79119	0.2
55.01856	0.7
55.05502	2.3
57.03425	2.6
57.07059	0.6
61.02916	6.2
62.33822	0.2
66.90865	0.3
67.05489	8.4
68.05814	0.5
69.03419	3.9
69.07058	1.7
70.37859	1.5
71.01324	0.3
71.04990	1.2
73.02902	5.2
79.05473	5.2
81.03408	2.9
81.07040	7.5
82.07404	0.4
83.04988	0.7
83.08612	1.5
85.02888	6.6
86.09687	1.6
87.04453	0.6
91.03939	4.0
91.05455	2.8
93.07022	6.2
94.07365	0.5
95.04964	1.2
95.08582	6.0
96.08931	0.3
97.02868	5.9
97.03450	0.4
97.06551	0.5
97.10145	0.6
99.04462	1.0
101.02346	2.2
103.03947	0.6
105.07033	2.5
107.04909	0.5
107.08585	3.2
108.08910	0.4
109.02860	0.8
109.10126	2.6
110.10473	0.3
111.08084	0.5
115.03929	0.5
115.05417	0.3
117.07010	0.5
119.08563	2.1
120.08904	0.4
121.06465	0.3
121.10110	2.8
122.72776	0.2
123.11704	0.4
124.99995	1.0
125.50258	0.3
127.03900	1.6
129.07027	0.3
131.08598	0.9
133.10080	1.3
135.11658	3.6
137.09653	0.3
145.04968	0.5
145.10103	1.6
147.11681	0.4
149.09605	0.3
149.13251	0.7
157.10159	0.3
159.11731	0.6
161.13190	0.3
163.11137	2.1
169.76202	0.3
173.13452	0.3
184.07312	5.2
185.04182	0.6
185.07712	0.5
193.12236	0.7
194.12624	0.4
203.05301	0.3
211.13272	0.3
212.13736	0.4
219.10022	0.3
227.12741	1.8
243.08345	3.2
249.10934	14.3
250.11215	0.3
267.95340	0.3
271.11169	0.3
285.16968	0.3
286.17236	0.7
305.13480	1.4
330.62073	0.2
335.25623	1.3
336.26169	0.9
337.26462	0.6
355.73859	0.3
467.18832	6.9
490.36301	0.5
503.60559	0.3
519.29187	9.0
520.29828	0.8
546.38214	0.6
547.39203	0.8
548.39362	1.9
745.41193	100.0
746.41577	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	744.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	1.9
55.01823	1.5
55.05499	18.6
57.03428	12.1
57.07061	3.5
58.22607	0.5
59.04959	1.1
61.02918	4.1
65.03886	1.8
67.05492	47.9
67.05824	1.9
67.72991	0.4
68.05792	0.7
69.03420	4.1
69.07054	19.0
69.07401	0.9
69.56479	1.4
69.56897	3.2
71.04980	3.8
71.08584	1.4
73.02864	1.7
79.05477	22.2
80.05797	0.5
81.03402	35.0
81.07039	52.2
82.07349	0.6
83.04963	9.0
83.08602	22.1
85.02889	17.4
85.06484	1.9
91.03890	1.7
91.05460	23.8
93.07026	22.5
93.86832	0.5
94.07311	0.5
95.04952	15.3
95.08589	35.1
96.08904	0.6
97.02877	5.0
97.06507	4.6
97.09576	0.6
97.10144	7.3
99.04376	0.8
99.08036	2.2
101.02341	0.9
104.43172	0.4
105.06342	0.9
105.07009	17.7
105.66309	0.4
107.04944	4.0
107.07912	0.6
107.08567	9.8
108.08854	0.6
109.06503	4.0
109.10136	13.8
111.04372	1.5
111.08060	6.7
111.11671	1.0
111.35096	0.5
113.05915	1.5
113.09580	0.6
115.05354	0.6
117.06947	1.5
119.04848	0.6
119.08556	14.3
120.08866	0.6
120.34628	0.5
121.06448	1.1
121.10117	12.7
123.08037	2.3
123.11682	5.9
125.09573	1.6
127.03863	0.8
129.07001	6.1
131.07622	0.7
131.08540	8.7
133.06439	1.6
133.09166	0.6
133.10106	10.8
135.11664	4.8
137.09549	1.6
137.13193	1.6
142.07693	1.7
145.10095	3.4
147.07959	1.2
147.11655	10.8
149.09598	3.2
149.13158	1.8
151.11063	1.1
151.14766	0.5
157.10094	8.1
161.13220	2.0
163.11116	1.7
163.14740	1.6
165.12695	1.9
173.13155	0.6
175.09825	0.8
175.11162	8.2
175.14758	1.3
184.07239	1.2
193.12198	23.4
211.13248	30.5
216.66946	0.5
225.05254	0.5
227.12772	0.9
245.22595	0.9
249.14944	0.9
261.22061	0.5
263.23669	2.5
267.15875	11.8
283.15283	0.5
284.15787	1.1
285.16913	41.0
286.16589	0.7
319.26440	0.6
335.25717	1.7
336.26099	0.8
337.27295	72.0
338.27423	1.7
373.27042	0.5
455.34995	1.1
465.35751	1.1
467.18637	1.6
473.36368	0.8
489.35645	3.5
515.36884	0.9
519.29065	0.6
529.38788	12.9
546.37665	0.8
547.39832	100.0
548.40295	3.4
572.46686	0.6
745.41101	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	744.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	2.1
55.01860	2.6
55.05498	19.6
55.51996	0.5
57.03426	13.8
57.07060	2.6
59.04948	1.5
61.02908	3.2
65.03884	2.0
67.05489	48.5
67.05824	1.8
68.05799	0.5
69.03417	4.8
69.07053	17.9
71.04974	5.6
71.08578	0.8
71.79454	0.7
73.02861	1.1
77.03925	0.6
79.05474	27.3
80.05761	0.6
80.37167	0.5
81.03400	43.6
81.07035	49.0
82.07365	0.5
83.04962	11.6
83.08600	24.5
85.02884	20.1
85.06484	2.2
85.10094	0.7
86.09663	0.6
87.04379	0.4
91.03888	1.7
91.05461	28.4
93.07024	24.4
95.04948	19.3
95.08584	34.4
96.04458	0.5
97.02882	3.5
97.06506	5.8
97.10147	7.4
99.04410	0.6
99.08030	1.4
105.07008	18.5
107.04926	5.1
107.08568	12.0
109.06503	4.0
109.10139	18.2
111.04379	1.7
111.08051	8.7
111.11645	0.9
113.05943	2.1
114.26666	0.5
115.05448	0.6
117.06957	1.9
119.04887	0.9
119.07735	1.1
119.08554	19.5
121.06421	1.3
121.10114	13.8
123.04251	0.5
123.07991	1.5
123.11668	5.5
124.99925	0.7
125.09600	2.7
125.10343	0.5
127.03868	0.9
127.07510	0.6
128.06071	0.4
129.06984	7.4
131.07634	0.7
131.08536	10.5
133.06404	2.1
133.09143	0.8
133.10094	13.4
135.11646	4.9
137.09573	2.9
137.13188	1.6
139.11086	0.9
142.07695	2.1
145.10072	3.4
147.08005	2.4
147.10558	0.8
147.11655	13.0
149.09590	4.8
149.13193	2.0
151.11064	0.6
151.14735	0.5
153.12761	0.5
155.08482	0.5
157.10101	10.4
159.11613	1.1
161.13208	1.9
163.11128	0.8
163.14691	1.4
165.12755	2.6
173.11674	1.5
173.13129	0.8
175.11163	11.1
175.14709	1.7
181.12247	0.5
184.07323	3.0
191.33772	0.4
193.12195	33.6
211.13246	52.5
212.13570	0.8
227.12735	0.5
229.14304	0.9
243.16003	0.7
245.22551	1.6
249.14735	0.8
261.22119	1.2
263.23746	2.5
267.15854	13.8
272.96619	0.5
285.16901	65.6
286.17319	1.3
287.14868	1.3
287.18436	1.5
319.26169	0.6
335.25726	5.5
337.27286	59.9
338.27713	2.0
433.29340	0.8
455.35245	0.7
460.69315	0.5
489.35681	9.4
503.37469	0.6
515.36591	1.0
529.38776	12.3
530.39551	0.6
547.39844	100.0
548.40179	4.9
572.47778	0.8
574.28998	1.0
745.41071	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01859	0.7
55.05501	2.6
57.03429	1.6
57.07052	0.9
61.02919	6.8
65.03930	0.5
67.05494	6.4
69.03411	3.2
69.07062	3.1
69.46918	3.2
69.47352	1.7
71.04993	0.6
71.08630	0.6
73.02904	3.8
79.05484	5.1
81.03410	2.7
81.07042	6.2
83.04958	1.0
83.08613	1.6
85.02892	5.7
85.10265	0.4
91.03943	3.0
91.05457	4.0
93.07033	7.1
95.04941	1.2
95.08587	4.6
97.02877	4.9
97.06569	0.4
97.10154	1.1
99.04459	0.9
101.02370	1.8
103.03932	0.5
105.07010	2.5
107.08566	2.7
109.02863	0.9
109.10155	1.9
115.03931	0.7
117.06987	0.9
119.08592	1.7
121.10139	2.4
123.08118	0.5
127.03936	1.9
129.07002	0.5
131.08560	1.0
132.67451	0.5
133.10138	1.3
135.11700	1.4
145.10115	1.1
147.11716	1.3
149.13277	0.8
171.11716	1.0
179.14348	0.8
184.07289	0.5
185.04263	0.5
243.08369	2.4
247.12970	2.0
283.15430	0.6
303.15689	0.6
311.59833	0.4
335.25833	1.3
465.20987	5.3
470.53140	0.5
503.37515	0.6
504.37592	4.2
519.29309	7.9
528.37549	0.4
545.38379	1.2
571.47095	1.9
743.43268	100.0
744.43524	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01864	4.3
55.05502	17.9
55.58276	0.5
57.03153	0.9
57.03426	10.6
57.07060	3.2
59.04982	2.5
61.02916	3.4
61.03165	0.5
65.03927	0.7
65.59807	0.4
67.05492	32.6
68.05820	0.7
69.03415	2.6
69.07054	15.2
71.04967	2.4
71.08601	1.6
73.02883	1.3
77.58841	0.5
79.05008	0.8
79.05479	18.7
81.03407	11.6
81.07042	36.0
82.07352	0.7
83.01322	4.9
83.04964	7.4
83.08602	16.3
85.02893	5.9
85.06505	1.2
85.10176	0.5
85.15160	0.5
91.03924	1.9
91.05463	13.3
93.07029	23.1
95.04958	5.8
95.08588	27.2
97.02874	3.2
97.06505	4.6
97.10146	6.4
98.21560	1.0
99.04420	2.0
99.08060	1.0
102.37144	0.5
105.07018	9.7
107.04942	4.7
107.08569	13.1
109.06492	3.5
109.10143	11.4
111.04408	1.8
111.08082	3.0
111.11692	1.2
113.09651	0.7
115.05453	0.9
117.07000	4.6
119.08555	8.8
121.06494	1.8
121.09263	0.6
121.10125	10.4
123.08043	6.3
123.11684	4.4
125.05958	1.5
125.09579	2.4
127.03898	0.8
129.06949	2.5
130.07765	0.7
131.08513	3.5
133.10110	4.7
135.08000	1.7
135.11659	9.8
137.05913	0.5
137.09602	1.6
137.13231	1.0
139.11250	1.0
143.08527	0.7
145.06424	0.7
145.10104	10.2
147.08029	1.2
147.11655	3.1
149.09641	0.8
149.13246	2.0
151.11174	0.8
153.12700	1.9
155.08488	1.4
155.14178	0.6
155.75668	0.5
157.10075	1.0
157.27112	0.5
161.13211	1.7
163.11150	16.3
163.14754	0.9
169.96118	0.5
173.09615	1.8
175.11115	0.9
175.14792	0.9
181.12183	2.4
184.07304	1.6
189.11171	0.8
189.16399	0.9
191.10648	1.4
193.12268	1.8
209.11713	4.6
211.13277	1.2
227.12726	4.3
245.22629	1.9
261.22211	0.8
263.23611	2.9
267.15997	1.9
283.15350	100.0
284.15689	2.4
285.16949	1.2
301.25134	1.0
319.26364	0.5
335.25760	2.1
337.27298	62.5
338.27603	2.4
351.02567	0.5
354.10168	0.5
416.89496	0.5
435.32272	0.6
453.33319	1.6
471.34909	0.7
489.35953	0.9
503.30029	1.0
503.37219	15.7
504.37756	1.1
527.37366	3.8
545.38312	42.7
546.38531	2.2
563.39270	1.5
583.76019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
53.26368	0.5
54.56962	0.5
55.01862	6.6
55.05503	24.7
55.05747	1.1
57.03428	13.1
57.07067	5.7
59.04995	2.6
60.39071	0.5
61.02925	4.9
65.03892	1.9
67.05494	47.8
67.05827	1.5
69.03377	2.2
69.07057	23.2
69.57355	5.8
70.33528	0.6
71.01321	0.9
71.04973	3.7
71.08574	2.3
73.02861	1.8
79.05476	23.7
81.03400	14.4
81.07043	56.3
82.07307	0.6
83.01328	6.3
83.04967	8.9
83.08607	20.9
85.02460	0.6
85.02890	8.1
85.06493	1.9
85.10130	1.2
89.00520	0.6
90.12090	0.5
91.03910	2.1
91.04926	0.9
91.05461	17.6
93.07030	29.6
94.07336	0.7
95.04956	7.3
95.08591	39.9
96.08895	1.0
97.02886	4.5
97.06509	5.8
97.10156	7.9
99.04402	2.3
99.08031	1.2
105.07013	13.5
107.04938	7.0
107.08574	17.8
109.06503	7.3
109.10138	14.5
111.04408	2.8
111.08057	3.7
111.11668	2.0
115.05371	0.9
117.07001	6.0
119.08563	12.6
121.06535	3.2
121.10127	12.1
123.07390	0.5
123.08054	6.4
123.11019	0.5
123.11684	5.7
125.05923	1.6
125.09570	2.2
129.06918	2.1
130.07787	0.8
131.08559	4.2
133.10104	6.5
135.08022	1.6
135.11676	12.1
137.09560	1.5
137.13208	1.9
139.11079	0.7
143.08527	1.1
145.04912	0.8
145.06400	1.0
145.10106	11.0
147.07983	2.0
147.11684	4.2
149.09550	1.2
149.13165	2.5
151.11140	0.9
151.14774	1.7
153.12662	2.9
155.08540	1.5
157.10106	1.2
159.11584	0.6
161.13226	2.8
163.11156	17.4
163.14763	1.8
164.11455	0.7
165.12721	1.1
165.16270	0.8
173.09575	2.1
173.13220	0.8
175.11186	0.8
175.14787	1.7
178.90247	0.6
181.12196	3.3
184.07283	1.7
189.11163	0.9
191.10617	2.5
193.12163	1.9
209.11705	5.7
213.12888	0.6
227.12715	5.0
244.62910	0.7
245.22623	3.1
261.21994	0.8
263.23599	5.4
267.15863	2.2
283.15359	100.0
284.15671	2.0
285.16891	1.2
287.17917	0.6
301.25299	1.7
335.25812	3.0
337.27310	98.6
338.27594	3.2
359.12222	0.6
418.51044	0.6
435.32516	1.0
453.33609	0.8
471.34436	0.7
503.37210	12.5
504.37289	0.7
527.37482	3.6
545.38318	94.0
546.38635	4.3
563.39282	1.9
601.51233	1.0
742.44116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
53.73872	0.6
55.01858	1.6
55.05500	16.1
57.03426	14.7
57.07062	1.5
61.02917	3.1
63.63793	0.6
65.03927	1.4
67.05489	50.8
69.03411	4.0
69.03719	0.6
69.07053	12.6
70.40832	1.2
70.41235	2.3
71.04987	3.9
73.02892	1.3
77.03909	0.7
78.62948	0.7
78.90166	0.6
79.05476	35.1
81.03400	42.6
81.07037	49.2
83.04964	10.1
83.08603	20.0
85.02885	16.0
85.06519	1.7
89.02605	0.6
89.18964	0.6
91.03960	1.9
91.05458	30.0
93.07021	35.9
94.83388	0.6
95.04945	17.4
95.08585	30.5
97.02877	2.8
97.06512	3.4
97.10146	4.6
99.08067	1.2
105.07009	22.1
107.04932	4.0
107.08569	19.7
109.06513	4.6
109.10136	10.9
111.04443	1.8
111.08060	7.7
113.06010	1.8
115.05416	0.7
117.06979	3.6
119.08557	18.3
121.06499	1.1
121.10117	15.4
122.10394	0.7
123.08060	2.4
123.11664	4.4
123.37151	0.6
125.09609	1.6
127.03979	0.8
127.07580	0.6
129.06996	7.0
131.08530	12.5
133.06464	1.7
133.10101	13.7
135.11661	7.7
137.09566	2.0
137.13205	0.9
139.16708	0.8
141.06824	0.7
142.07736	1.4
145.10089	5.4
147.08026	1.9
147.11646	12.2
149.09601	4.2
149.13222	4.2
155.08479	0.7
157.10081	10.5
159.11615	3.7
161.13222	3.1
163.11148	1.5
163.14838	1.0
165.12694	2.0
173.13245	2.1
175.11143	11.0
175.14844	1.1
180.27664	0.7
183.11653	0.8
187.14742	0.9
193.12192	29.4
197.13223	0.8
211.13254	40.8
212.13707	1.0
227.12729	0.9
243.21021	3.2
249.14821	0.9
261.22089	10.2
261.24625	1.0
267.15845	13.0
285.16913	53.0
286.17392	1.0
301.25156	0.9
317.24786	2.2
335.25723	84.2
336.26025	3.1
385.23148	0.7
417.31400	1.0
435.32468	2.1
453.33707	1.0
471.34729	1.8
509.36523	0.9
527.37170	12.1
545.38269	100.0
546.38593	7.0
730.03314	0.7
770.94855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.5
55.01826	1.8
55.05502	11.2
57.03425	9.4
57.07051	0.9
61.02913	2.0
65.03889	1.4
67.05493	34.2
67.05824	1.2
68.05792	0.9
69.03423	2.4
69.07058	9.0
69.58228	3.9
71.04987	3.1
71.08552	0.6
73.02861	0.6
79.05480	23.7
80.05789	0.5
81.03405	34.0
81.07041	35.4
82.07346	0.8
83.04967	7.4
83.08606	13.9
85.02891	14.1
85.06489	1.7
87.99230	0.4
91.03905	0.9
91.05466	19.8
91.13567	0.4
91.85558	0.4
93.07030	27.1
94.07343	0.9
95.04952	14.4
95.08592	23.0
96.08906	0.5
97.02874	2.5
97.06519	2.8
97.10135	2.8
99.08025	0.7
105.04471	0.8
105.07014	15.7
107.04949	2.9
107.08575	14.3
108.08833	0.4
109.06510	3.0
109.10142	8.8
111.04368	1.3
111.08067	5.7
113.05931	1.5
113.09610	0.5
115.05389	0.6
117.07014	2.5
119.07742	0.7
119.08565	13.8
121.06448	0.9
121.10120	13.2
122.10419	0.4
123.08018	1.7
123.11665	3.3
125.09574	0.6
129.06989	4.7
131.08542	8.4
133.06421	0.9
133.10104	7.7
135.11668	7.1
137.09496	1.2
137.13190	1.0
142.07721	1.1
145.10075	3.3
147.07977	1.4
147.11674	9.3
149.09599	3.2
149.13226	1.9
151.11052	0.4
154.67961	0.5
157.10112	7.9
159.11673	2.3
161.13196	1.6
163.11093	0.8
163.14767	1.5
165.12727	1.9
173.13184	1.7
175.11154	7.3
175.14670	0.4
184.07315	1.0
187.14784	1.0
189.11111	0.5
193.12212	23.9
194.12460	0.6
211.13251	29.1
212.13657	0.7
227.12750	1.6
243.21039	1.9
246.75279	0.5
261.22086	5.7
267.15878	7.2
279.23099	0.5
283.15387	1.0
284.15799	1.0
285.16928	32.1
286.17142	0.7
301.25085	0.8
317.24719	1.2
335.25751	58.2
336.26074	4.1
337.26331	0.7
355.64487	0.5
429.20773	0.6
435.32626	1.0
453.33563	1.5
471.35089	0.6
527.37305	8.7
528.37225	0.5
544.37103	0.8
545.38306	100.0
546.38647	7.1
761.70789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.6
55.05263	0.9
55.05506	13.1
57.03424	8.9
59.05010	0.8
65.03925	1.1
67.05492	17.9
69.03407	2.9
69.07048	5.7
70.88419	0.6
71.01344	0.9
71.04981	5.0
71.78989	0.8
71.79333	0.6
73.02905	0.6
79.05475	20.1
81.03405	47.3
81.07042	19.4
83.04972	5.8
83.08607	16.1
85.02898	4.3
85.06535	2.0
86.09710	0.8
91.05463	15.5
93.07030	18.2
95.04955	21.7
95.08583	8.2
97.02863	3.4
97.06497	5.0
97.09555	1.1
97.10152	14.7
99.04440	1.8
99.08028	1.1
103.05444	2.9
105.03384	2.2
105.07011	12.5
107.04935	15.2
107.08573	11.7
109.02844	1.5
109.06496	14.4
109.10147	5.3
111.04415	1.8
111.08073	4.6
113.05949	0.7
115.05414	0.7
117.06996	5.4
119.04942	1.7
119.08563	12.3
121.06483	11.1
121.10125	10.7
121.23461	0.7
123.04427	2.2
123.08040	5.4
123.11628	1.4
125.05968	0.9
125.09616	12.2
125.10478	1.0
127.03905	1.7
129.06969	7.5
131.04883	3.9
131.08549	11.3
133.02820	0.6
133.06474	4.7
133.10104	6.4
135.08017	7.5
135.11661	3.2
137.02271	0.6
137.05948	0.8
137.09558	0.8
139.11174	1.7
141.07001	1.3
142.07782	2.1
143.08554	2.2
145.02820	1.1
145.04906	0.6
145.06465	5.4
145.10121	4.7
147.04420	3.2
147.08055	5.3
147.11658	7.0
148.05145	0.7
149.06004	1.2
149.09589	6.1
149.13150	0.7
151.03899	1.4
151.07512	0.9
151.11128	0.8
153.09061	3.4
153.12715	1.2
155.08549	1.9
157.06493	1.3
157.10080	5.8
159.08040	2.5
159.11742	1.2
161.05946	1.7
161.09607	2.5
163.07571	2.3
163.09993	0.8
163.11169	4.8
165.12723	1.5
167.07071	1.1
167.10661	1.2
169.10127	1.2
171.08029	1.6
171.10254	1.3
171.11681	1.9
173.05925	1.0
173.09593	1.9
173.11772	1.2
173.13084	3.1
175.07555	0.9
175.11156	6.9
177.05431	3.0
177.12738	1.3
181.10089	1.2
184.07274	1.7
185.09563	1.1
185.13347	1.5
187.11176	1.3
189.09563	1.0
189.11201	5.7
189.12767	1.3
191.06996	10.7
191.10637	1.1
191.14282	4.1
193.12202	15.6
195.11729	2.0
197.13272	0.8
199.11194	1.7
201.12816	0.8
205.12248	1.6
207.13863	0.7
209.11714	1.7
211.11259	1.0
211.13298	2.3
213.12721	1.4
215.14401	1.5
217.12224	1.3
219.13792	10.5
223.13150	1.4
225.12820	0.9
227.12663	2.9
229.14276	1.1
230.29677	0.6
231.13731	1.6
233.15302	3.1
233.54506	0.7
235.13165	0.7
237.12744	1.4
237.14877	1.0
241.14279	1.1
249.14951	1.7
255.13800	2.7
257.15521	0.7
259.13022	1.0
259.15302	6.5
267.15872	40.5
268.16092	0.6
273.14783	7.2
273.17273	1.0
275.16534	0.9
283.15378	1.4
285.16971	1.4
293.17401	6.9
301.16595	0.7
309.16714	0.9
331.20358	0.9
339.23154	3.1
349.21484	3.6
357.24185	2.2
367.22647	13.3
372.12061	0.7
385.23669	21.3
403.24713	7.9
433.25751	2.1
441.26199	9.1
451.26886	6.0
459.27365	100.0
460.27725	5.2
477.28418	98.7
478.28607	4.4
491.30115	9.3
495.29291	7.8
501.28192	2.5
509.31992	3.4
527.29309	0.9
567.29517	2.2
585.30286	1.1
699.74347	0.7
736.19409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.05500	0.6
56.05020	0.5
57.03431	0.5
58.06614	0.4
59.07370	0.2
59.47442	0.1
60.08152	5.8
61.02908	0.1
67.05492	1.4
69.03416	0.3
69.07047	0.4
69.73219	0.8
70.06544	0.1
71.04952	0.2
71.07359	2.7
79.05148	0.1
79.05489	1.1
80.05793	0.1
81.03407	2.5
81.07039	1.3
82.03694	0.2
83.04968	0.5
83.08611	0.5
85.02881	0.5
86.09691	29.3
87.10020	0.5
91.05466	1.2
92.05815	0.1
93.07034	1.1
95.04945	0.8
95.08601	0.5
97.02871	0.4
97.06492	0.3
97.10145	0.2
98.98447	2.3
99.04440	0.2
104.10729	2.2
104.11417	0.1
105.03338	0.3
105.07024	1.0
107.04933	0.5
107.08585	0.6
109.02847	0.3
109.06506	0.3
109.10139	0.5
111.04440	0.4
111.08071	0.3
117.07018	0.3
119.08533	0.7
120.08983	0.1
121.02842	0.2
121.06470	0.3
121.10125	0.6
122.05991	0.1
123.08020	0.2
124.99981	19.1
125.09610	0.3
126.00342	0.2
127.03905	0.4
129.05319	0.1
129.06984	0.3
131.08549	0.4
133.06471	0.3
133.10132	0.8
135.04410	0.1
135.08002	0.2
135.11679	0.5
137.02344	0.2
143.01015	0.4
145.10104	0.5
146.10451	0.1
147.04395	0.3
147.08115	0.1
147.11639	0.3
149.09573	0.3
151.11102	0.2
155.08485	0.1
157.10109	0.3
161.05998	0.3
161.09567	0.1
163.03867	0.1
163.11182	0.4
164.11499	0.1
166.02689	0.1
167.07040	0.2
173.09645	0.3
175.11142	0.3
177.05411	0.3
181.04889	0.1
181.12251	0.2
184.07310	100.0
185.07657	1.5
191.10789	0.1
192.10847	0.1
193.08635	0.2
193.12282	0.6
201.09146	0.1
209.11673	0.6
211.13239	0.2
217.11969	0.1
227.12720	0.2
229.14407	0.2
233.11584	0.1
264.96979	0.1
265.14328	0.2
266.60168	0.1
267.15952	1.0
268.16196	0.3
269.16547	0.2
283.15308	0.8
284.15729	0.2
285.16785	0.3
301.16537	0.6
302.16812	0.2
303.16959	0.1
371.39987	0.1
385.23560	0.4
432.08450	0.1
437.25327	0.2
456.35587	0.1
459.27213	2.1
460.28043	0.2
475.26685	0.1
476.26981	0.2
477.28125	1.3
491.26419	0.2
493.27426	0.2
494.28192	0.2
495.28482	0.5
509.27484	0.3
585.31464	0.1
642.33905	16.3
643.34351	2.1
660.34961	0.2
692.37262	0.2
743.31671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01857	1.2
55.05503	5.1
57.03428	11.3
59.04993	1.0
63.18778	0.6
66.30980	0.6
67.05498	1.7
68.99824	0.7
69.03418	12.3
70.21091	2.8
70.21472	1.3
71.01336	1.9
71.04981	68.4
71.06966	0.6
72.05354	0.9
73.02912	10.2
74.09692	0.7
75.04464	4.8
79.05510	0.7
81.03405	2.2
81.07058	0.7
83.01322	0.6
83.04970	31.2
84.08093	0.7
85.02893	89.5
87.04459	2.9
95.04962	5.4
97.02895	1.8
97.06482	1.3
99.04443	5.5
100.11317	0.7
101.06001	1.4
109.02829	3.5
111.00777	1.1
111.04427	23.9
113.05997	2.3
117.05475	8.0
121.02837	1.4
121.06527	1.1
123.04364	1.6
125.06025	1.1
127.03902	4.8
129.05463	26.7
135.04384	1.1
137.02333	6.9
139.03879	0.8
143.19550	0.6
145.04893	0.8
147.06503	8.0
149.02283	1.0
149.06001	1.6
151.03944	0.7
151.07494	1.2
153.01828	2.1
153.05421	8.5
157.04942	1.9
159.06512	2.2
163.03909	1.2
163.06004	9.4
165.01764	2.1
167.07103	0.7
171.06517	2.9
173.05975	1.1
177.05383	1.2
183.06554	1.6
189.07588	0.8
195.02875	0.8
201.05652	1.2
201.07515	2.7
211.09575	0.7
213.07610	2.0
229.04901	3.6
239.09108	13.0
247.05904	0.9
257.04416	2.7
257.10202	3.9
275.11194	5.5
285.03891	1.1
287.05411	1.5
293.12170	2.7
299.05362	1.6
302.04004	1.5
303.04944	100.0
304.05234	3.1
315.04922	13.9
316.05630	2.1
327.04959	3.9
329.06235	0.7
339.04770	0.8
341.06412	2.8
345.06012	25.1
345.10202	1.3
346.06516	0.6
353.06558	1.5
357.05942	0.7
367.08057	1.8
369.06003	8.9
371.07462	0.9
395.07681	4.2
410.16461	0.6
411.07089	0.7
413.08606	11.6
431.09698	9.0
449.10779	27.9
450.10583	1.0
455.09875	0.9
473.10828	1.1
491.11807	1.9
518.77606	0.6
541.13025	0.8
559.14203	0.7
577.15057	1.4
595.07727	1.0
595.16620	12.8
596.17719	0.7
620.47687	0.7
670.46674	0.7
741.54498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01858	2.0
59.43254	0.6
60.72909	0.5
65.03927	1.6
67.01852	0.6
68.99774	13.8
69.03430	2.9
69.03730	0.5
70.06580	0.7
71.04963	0.9
71.50419	0.9
77.03908	1.0
79.05461	1.3
81.03394	2.3
83.04951	1.1
84.35727	0.6
85.02868	2.8
89.03885	2.9
91.05463	1.5
95.01309	0.9
95.04955	2.7
97.02879	1.1
97.28188	0.6
103.05434	1.0
105.03377	1.4
107.04921	5.6
109.02864	3.2
111.00770	1.1
111.04420	17.9
112.24039	0.5
117.03353	1.9
119.04921	1.6
121.02834	1.3
123.04404	41.1
124.04710	0.7
125.05969	0.6
127.03883	6.1
129.07008	0.5
131.04898	2.0
135.04384	53.6
137.02312	49.9
139.03867	17.1
143.04897	1.1
145.02870	2.9
145.04918	0.5
145.06393	0.8
147.04375	8.2
149.05997	1.4
151.03885	5.9
153.01801	7.0
153.05444	10.5
155.04941	1.0
157.06329	0.6
159.04382	3.8
161.02266	0.7
161.05960	4.8
163.03868	77.5
164.04312	1.9
165.05461	1.7
165.06845	0.6
167.03362	0.6
169.06509	1.2
171.02884	6.6
171.04248	0.8
173.05959	3.4
175.03830	4.0
175.07559	0.7
177.05450	2.6
179.03354	100.0
180.03671	2.2
181.06471	1.1
183.04369	0.8
185.05945	2.4
187.03827	10.3
189.01939	0.7
189.05429	2.1
191.03336	5.2
193.04979	1.1
194.84193	0.6
197.05936	1.9
199.03825	0.8
201.05411	6.7
203.03320	7.9
203.07077	0.8
205.04887	4.6
207.02844	2.0
209.06018	0.7
211.03870	1.9
211.07433	0.8
211.68321	0.5
213.05434	2.3
215.03462	3.4
215.06873	1.4
217.04979	2.0
219.02867	0.8
221.04309	0.8
225.05423	1.2
227.03256	1.0
227.07005	1.2
229.04929	8.1
231.02905	1.2
231.06400	0.6
233.04414	0.9
233.09570	0.5
237.05565	0.8
239.06950	0.8
241.04912	2.6
243.02858	1.7
245.04445	2.3
247.05919	33.5
251.07010	0.9
253.04846	2.4
253.17799	0.7
255.02768	1.9
255.06506	1.8
257.04385	3.2
259.03339	0.8
259.05911	3.9
260.26166	0.6
265.08603	1.2
267.06503	1.4
269.04315	3.9
271.05743	6.3
273.03928	1.9
274.06198	0.7
275.06970	1.3
277.04892	0.8
279.06589	0.7
280.10913	1.0
281.04419	1.7
281.08167	1.0
283.05905	8.2
284.06268	0.8
285.03802	3.7
287.05197	3.2
289.06989	78.7
290.07501	1.9
293.08105	2.1
294.05142	0.6
295.05786	3.1
296.10202	0.9
297.03918	3.2
297.07529	3.1
299.05313	2.7
301.03613	1.3
301.06870	7.1
301.24939	0.6
303.04990	1.7
305.04346	0.9
307.05859	1.8
309.03787	2.3
309.07324	1.1
311.05457	2.5
313.03442	1.5
313.07016	7.1
315.04932	4.0
315.08356	1.3
317.08032	1.6
321.04041	0.7
321.07321	2.9
323.05414	5.5
325.07019	1.8
327.04944	2.7
329.06567	1.5
331.06039	0.8
333.05975	2.2
335.09000	3.0
337.06949	2.8
339.04944	8.3
341.06470	13.9
345.07703	1.2
349.07031	2.0
351.04816	1.5
353.06500	1.0
355.08292	1.0
361.07010	0.9
363.08456	5.3
365.06689	1.1
367.08102	2.1
373.06979	1.7
377.06345	2.0
377.10550	0.8
379.07837	1.6
387.08539	0.7
391.08081	9.6
405.09509	1.7
407.07565	1.6
409.09018	13.6
410.09317	0.6
411.10654	2.6
415.08575	1.0
419.07562	2.9
421.08853	1.0
423.10675	2.7
431.06891	0.8
433.09082	20.6
434.09036	0.7
437.08664	9.5
449.08652	5.6
451.10144	39.3
452.10416	2.4
461.08664	4.0
473.18469	0.7
475.11871	1.0
490.20651	1.1
525.14044	1.1
529.11053	2.1
543.15002	1.5
571.12219	21.8
572.12201	1.2
589.13019	2.4
596.95062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01861	2.3
55.05500	12.0
57.03145	0.5
57.03428	8.8
57.07069	1.5
59.04982	0.5
61.02919	1.7
65.03933	1.7
66.25022	0.3
67.05491	37.2
69.03413	1.1
69.06670	0.5
69.07056	10.7
71.04979	2.5
73.02907	1.0
77.03901	0.5
79.05478	31.1
81.03399	1.5
81.07040	39.1
83.01340	0.5
83.04963	2.7
83.08600	7.9
85.02856	1.3
85.06528	0.9
91.03941	0.4
91.05464	12.3
93.03416	0.5
93.07024	40.3
95.04956	6.3
95.08588	43.0
96.04520	0.3
96.08934	0.3
96.51449	0.3
97.02869	3.4
97.06508	3.4
97.10145	1.7
98.21462	0.6
99.04433	2.7
99.08076	0.5
103.05444	0.6
105.04541	0.4
105.07009	10.4
105.07703	0.6
107.04932	5.4
107.08573	28.1
108.08936	0.4
109.06503	2.1
109.10137	10.3
111.04459	0.9
111.08062	1.7
112.62867	0.3
115.05483	0.4
116.06182	0.3
117.06991	7.5
117.07769	0.5
119.08563	11.1
121.06487	3.9
121.10119	17.4
123.08038	1.3
123.11699	2.7
125.05950	2.0
125.09605	0.7
127.07520	0.3
130.07787	1.1
131.08537	5.5
133.10109	5.6
135.08090	1.7
135.11665	35.2
136.12015	0.3
137.09572	0.5
137.13245	0.9
139.07513	1.0
143.08566	1.1
145.10094	20.4
146.10500	0.3
147.07979	0.4
147.11642	2.3
149.09575	0.4
149.13232	3.1
149.24451	0.3
153.12717	0.7
155.08488	0.4
157.10225	0.3
159.11681	2.2
161.13249	1.9
163.11151	39.4
163.14859	1.2
164.11555	0.8
171.11740	0.3
173.09618	0.7
173.13239	1.4
175.14809	0.9
177.16414	0.3
181.12204	6.8
184.07317	1.2
185.13268	0.4
187.14893	0.9
201.16371	0.3
209.11743	1.0
227.12735	45.8
228.13126	0.6
230.17929	0.5
233.22699	0.3
239.96428	0.3
243.20943	1.9
261.22089	6.9
283.15350	53.6
284.15674	1.0
299.23560	0.4
317.24722	2.3
331.02496	0.3
335.25739	100.0
336.26114	2.4
469.33368	0.6
543.36707	81.1
544.37042	3.2
561.37799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.1
55.01861	6.2
55.05503	16.0
57.03430	11.7
57.07047	1.7
59.04972	2.2
60.08130	0.5
61.02913	4.3
65.03922	1.2
67.05492	32.5
69.03394	1.8
69.06715	0.7
69.07059	7.6
71.01338	0.6
71.04965	2.1
73.02892	1.6
75.85256	0.4
77.88389	0.4
79.05016	0.9
79.05480	25.9
81.03407	8.7
81.07042	34.4
81.99446	0.6
83.01327	5.7
83.04965	8.6
83.08601	11.1
85.02887	7.1
85.06518	1.3
86.09710	2.7
87.10018	1.2
91.03919	2.0
91.05463	16.1
93.07027	35.6
95.04949	6.8
95.08590	27.0
97.02871	3.5
97.06508	4.4
97.10140	2.4
98.98418	0.5
99.04443	2.5
99.08048	1.2
99.79782	0.5
105.01329	0.5
105.07020	14.2
107.04932	5.9
107.08574	20.7
109.06512	5.1
109.10140	10.5
111.04406	1.9
111.08050	1.8
113.09579	0.9
114.78418	0.5
117.07006	8.6
119.08567	12.4
121.06482	2.3
121.09233	0.8
121.10123	16.1
123.08047	5.9
123.11691	3.9
124.99982	2.0
125.05946	1.1
125.09612	3.1
127.03855	0.6
129.06949	2.0
130.07825	0.9
131.08548	8.4
133.10101	6.7
135.08057	2.8
135.11670	15.7
137.09590	2.2
137.13243	1.2
139.07489	0.5
143.08528	1.6
145.06461	0.6
145.10100	15.6
147.08002	1.6
147.11658	3.8
149.09583	1.3
149.13246	4.7
151.11151	1.2
153.12715	1.8
155.08522	1.3
157.10091	0.8
159.11691	4.8
161.13229	2.7
163.11160	18.9
163.14833	2.5
171.11668	1.1
173.09598	2.1
173.13210	4.5
175.14763	1.1
181.12204	3.3
183.11829	0.7
184.07318	14.1
185.07660	3.3
185.13248	0.5
186.07722	1.2
187.14786	1.9
189.11243	3.0
189.16347	0.7
191.10603	2.0
193.12186	1.0
197.13229	0.6
201.16374	0.7
209.11671	5.9
211.13176	0.7
227.12735	9.6
243.21088	3.9
259.06058	0.6
259.20633	1.4
259.85239	0.5
261.22104	12.2
267.15808	1.4
273.22250	0.7
277.21423	0.6
283.15353	100.0
284.15677	1.9
285.16861	0.6
299.23550	3.9
317.24731	3.5
333.24173	1.8
335.25745	65.2
336.26022	1.8
350.66519	0.6
433.30899	1.7
451.32217	2.9
469.33014	2.2
487.33963	0.8
525.35620	4.7
543.36731	47.1
544.36951	1.8
561.37854	3.5
690.45868	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01866	6.7
55.05500	21.5
57.03150	1.4
57.03422	17.3
57.07055	3.0
59.05006	3.5
59.05245	0.9
61.02913	7.3
65.03913	1.4
67.05492	50.2
69.03407	1.6
69.07056	13.4
71.01328	1.3
71.04987	3.8
71.60516	1.6
73.02907	1.3
74.31554	0.9
79.05478	39.9
81.03403	9.8
81.07040	50.1
83.01312	5.7
83.04963	10.8
83.08598	14.8
85.02888	8.1
85.06515	2.0
86.09683	2.0
91.03935	1.9
91.05462	24.2
93.07026	52.6
95.04954	9.0
95.08590	37.5
97.02869	5.5
97.06518	5.5
97.10137	3.7
98.31736	0.8
99.04427	2.3
99.08054	0.9
103.05424	1.1
105.04473	1.0
105.07010	18.5
107.04932	6.5
107.08573	28.2
109.06495	7.4
109.10138	15.0
111.04408	2.4
111.08044	3.2
115.05408	0.8
117.06988	9.5
119.08562	14.8
121.06482	2.2
121.10121	17.4
123.04456	0.9
123.08022	7.0
123.11708	4.3
125.05999	1.1
125.09570	4.2
128.06209	0.8
129.07031	1.9
131.08549	11.0
133.10104	7.6
135.08041	2.3
135.11668	19.5
137.09596	1.9
137.13245	1.3
139.11192	1.0
143.08466	2.1
145.06381	1.0
145.10106	17.3
147.08006	2.4
147.11681	5.2
149.13216	7.3
153.12733	3.6
155.08496	1.0
159.11673	5.7
161.13245	4.0
163.11150	22.6
163.14774	2.9
171.11629	0.9
173.09578	3.0
173.13232	4.9
175.14818	1.4
180.08653	0.7
181.12233	3.3
184.07326	7.0
185.07634	1.7
186.07828	0.8
187.14804	3.2
189.11194	2.0
191.10640	2.6
193.12143	1.1
201.16335	1.1
208.14679	0.7
209.11674	7.0
211.13226	1.0
227.12721	10.2
243.21060	6.0
259.20511	1.8
261.22076	17.1
261.24670	1.4
267.15881	1.7
283.15359	97.5
284.15723	2.5
285.17087	1.3
299.23639	4.7
317.24677	5.0
333.24219	2.0
335.25742	100.0
336.26126	2.9
433.30899	1.9
451.31879	2.1
469.33075	2.8
487.33981	1.6
489.56885	0.8
525.35950	5.3
543.36731	75.4
544.37335	3.7
561.37726	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	738.505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
53.33234	0.9
55.01845	1.3
55.05503	10.9
55.06469	1.0
57.03415	2.3
57.07073	1.8
65.03920	2.0
67.05494	42.6
69.07059	10.4
70.10674	4.4
71.08602	1.5
78.99596	1.0
79.05484	19.0
81.07042	35.7
82.07368	1.3
83.08603	4.4
91.05449	10.9
93.07027	22.7
95.04947	2.3
95.08591	28.8
97.06494	1.8
97.10172	2.0
98.06041	4.5
98.77274	1.0
105.07017	6.8
107.08575	9.3
109.10138	10.9
112.07638	0.9
117.06967	2.2
119.08537	5.6
121.10126	8.3
123.11697	2.5
131.08583	1.9
133.10124	4.6
135.11668	4.2
137.13228	1.3
145.10204	1.2
147.11644	1.8
149.13231	2.1
156.16365	1.2
161.13185	1.8
163.14859	1.2
229.46466	1.1
261.22131	1.7
263.23514	1.3
288.00711	1.0
299.55591	1.0
304.26294	28.9
305.26706	1.2
306.27884	24.9
335.25735	9.4
337.27289	14.8
575.05371	1.2
597.48669	100.0
598.49030	6.7
701.21851	1.1
738.53546	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.5
57.03420	0.1
57.07063	0.2
58.06628	0.3
58.78265	0.1
59.07381	0.1
60.08152	5.3
67.05469	0.2
68.80218	0.1
69.63924	0.7
71.07361	2.6
71.07753	0.1
71.08622	0.2
76.84570	0.1
79.05480	0.2
80.97430	0.1
81.02994	0.1
81.03384	0.4
81.07040	0.2
83.08592	0.1
84.44223	0.1
85.10146	0.1
86.09691	28.0
87.10020	0.2
91.05445	0.1
93.07059	0.1
95.04954	0.2
95.08603	0.3
98.97797	0.1
98.98446	2.5
104.10728	2.1
105.06995	0.1
107.08537	0.1
115.53318	0.1
118.87331	0.1
119.08559	0.1
124.99979	18.5
143.01067	0.3
173.11543	0.1
184.07310	100.0
185.07681	1.1
193.12119	0.1
267.15826	0.4
301.64099	0.1
313.27264	0.3
412.13046	0.1
496.33655	0.1
505.38586	0.3
552.01740	0.1
688.45367	9.4
689.45325	0.7
749.90161	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01860	1.7
55.05502	15.2
57.03423	6.1
57.07068	1.3
58.19624	0.6
58.32267	0.6
59.04981	0.7
60.73518	0.6
61.02934	0.6
65.03935	2.0
67.05492	43.2
68.56915	0.6
69.03422	1.1
69.07058	9.8
70.31330	0.6
71.04983	1.8
71.08628	0.6
71.50918	1.3
73.06537	0.8
79.05477	46.9
81.03407	4.2
81.07040	41.5
83.04970	8.6
83.08601	5.4
85.02888	1.3
85.06514	1.5
91.05465	35.0
93.07027	51.7
95.04948	12.4
95.08589	28.5
97.02890	0.8
97.06511	2.4
97.10148	2.6
99.08062	1.2
102.09132	0.6
105.04510	1.1
105.07012	24.8
107.04951	2.8
107.08570	17.4
109.06512	3.8
109.10139	8.8
111.08071	1.6
115.05450	0.8
117.06989	5.6
119.08559	16.1
121.06509	1.9
121.10123	10.2
123.08055	2.7
123.11694	2.3
127.07540	0.7
128.06189	1.3
129.06984	7.9
131.08530	6.1
133.10106	8.5
135.08061	0.9
135.11678	5.6
137.09537	0.8
137.13184	0.8
143.08553	4.7
145.10085	7.4
147.08066	1.7
147.11656	22.8
149.13223	2.1
159.11665	3.0
161.09619	2.2
161.13217	7.5
163.11143	0.9
163.14786	1.4
169.10066	0.9
171.11644	13.1
173.13272	1.5
177.12796	0.7
179.14388	0.6
189.12724	4.8
207.13779	15.7
225.14801	1.0
243.21030	1.5
259.20660	0.7
261.22150	4.6
267.68161	0.7
279.15796	2.6
281.17429	54.4
282.17868	0.8
283.18768	0.6
317.24872	1.3
335.25751	44.4
377.76923	0.7
447.46286	0.6
449.34399	0.9
541.38812	100.0
542.38977	5.1
559.39972	2.4
697.56555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42464	0.4
54.45241	0.5
55.05501	18.5
57.03430	14.9
57.07058	0.7
58.76477	0.5
59.04987	0.9
61.88787	0.5
65.03931	2.1
67.05493	31.4
68.05805	0.6
69.03407	6.7
69.07056	8.4
69.56487	1.3
69.56909	4.0
71.04983	8.1
71.08612	0.5
73.02903	1.2
77.03925	0.7
79.05009	0.9
79.05481	31.5
81.03405	100.0
81.07040	36.7
81.07526	1.3
81.07765	0.7
82.03736	1.0
82.07375	0.8
83.04962	20.7
83.08605	31.5
85.02892	26.9
85.06545	3.0
86.09692	1.2
87.04446	1.1
91.05466	45.1
92.05800	1.0
93.07029	23.1
95.04952	37.3
95.08589	13.9
96.08899	0.5
97.02869	6.2
97.06519	5.5
97.07533	0.5
97.10151	6.5
98.21368	1.0
99.04449	2.0
99.08067	1.6
100.87683	0.5
103.05442	0.8
105.03381	0.7
105.04523	0.9
105.07018	32.8
106.07326	0.7
107.04942	11.2
107.08568	9.9
107.11346	0.6
109.02866	2.4
109.06492	8.0
109.10133	5.7
111.04422	5.3
111.07292	0.8
111.08060	13.6
113.05995	3.3
115.05434	2.1
117.06985	3.3
119.04922	1.4
119.08565	28.9
121.06496	4.1
121.07250	0.6
121.10125	12.0
123.04454	0.9
123.08044	4.7
123.11682	1.9
124.99951	0.7
125.06023	0.8
125.09603	3.2
127.03917	2.4
127.07542	1.0
128.06248	1.5
129.05447	1.3
129.06987	16.5
131.08543	17.9
132.08855	0.8
133.06461	5.4
133.10100	20.6
133.11099	1.1
134.10460	0.6
135.04443	0.6
135.08043	0.8
135.11664	1.8
137.09602	2.7
137.13245	0.6
141.06979	1.0
142.07745	3.6
143.08508	1.3
145.06464	2.0
145.10110	4.9
147.08035	5.9
147.11662	23.5
148.11996	0.6
149.09595	9.8
151.07533	0.6
151.11174	1.7
153.12714	0.7
155.08469	0.9
157.10103	23.2
158.10425	1.1
161.05946	0.6
161.09641	1.5
163.11179	2.8
165.12738	5.2
171.11591	0.6
173.04385	0.6
175.09639	1.0
175.11159	21.6
175.12625	1.1
181.12198	1.0
184.07242	3.4
189.11238	1.0
189.12770	0.6
191.10620	1.1
193.12210	55.1
194.12617	1.4
195.11736	0.7
211.13255	52.1
212.13622	2.1
223.11229	0.6
223.13211	0.8
227.12752	2.5
229.14268	2.4
231.13657	1.1
233.15430	0.8
249.14850	2.6
267.15869	74.1
268.16245	2.5
273.14801	1.7
283.15286	1.4
285.16928	32.7
286.17282	1.3
299.14786	1.8
301.14279	1.7
309.16910	1.0
315.79266	0.5
339.23096	0.7
349.21457	1.8
355.17398	2.3
367.22488	3.9
375.17712	0.9
385.23575	6.7
393.18866	1.2
403.24686	1.3
405.23993	0.7
411.19803	2.6
426.38254	0.5
429.21198	10.7
433.25793	4.4
441.26181	2.5
445.26096	0.8
459.27365	54.9
460.27762	3.8
477.28424	50.6
478.28613	3.6
491.26172	2.2
495.29468	58.0
496.29959	5.2
501.28561	0.7
523.29114	0.7
573.67560	0.6
585.30408	1.3
603.30994	1.9
621.32581	6.4
622.32379	0.7
639.33612	21.4
640.33997	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	1.0
53.03180	0.6
53.03932	3.5
55.01863	4.4
55.05503	17.6
57.03428	15.8
58.15047	0.7
58.53414	0.7
59.04962	2.2
61.02892	1.8
65.03911	1.5
67.05496	20.6
68.58566	0.6
69.03419	4.3
69.07056	5.7
70.76492	2.5
71.01341	1.5
71.04984	3.7
73.02865	1.0
79.05479	19.3
81.03407	72.9
81.07044	24.5
83.01296	1.9
83.04977	9.1
83.08607	23.5
83.52401	0.5
85.02899	5.5
85.06526	3.4
87.04403	0.8
91.03907	1.0
91.04923	1.4
91.05467	27.6
91.71758	0.7
93.07033	23.6
95.04956	25.9
95.08598	10.5
97.02878	8.5
97.06518	5.2
97.10150	6.8
99.00804	12.5
99.04418	2.2
103.05445	1.1
105.07018	24.0
107.04242	0.9
107.04942	14.4
107.07880	1.2
107.08572	13.7
109.02170	0.8
109.02864	11.5
109.06507	7.4
109.10140	6.2
111.04434	4.8
111.08069	8.1
113.05984	1.5
115.03886	2.0
115.05356	1.2
115.92525	0.6
117.07002	5.5
119.04871	1.2
119.07722	1.1
119.08563	19.3
121.02827	2.0
121.06490	10.2
121.10123	8.3
123.04379	2.7
123.08034	4.4
123.11647	2.4
125.05906	0.8
125.09624	5.5
127.03897	3.8
128.06184	1.2
129.06989	9.4
130.07726	0.8
131.07645	0.9
131.08539	10.7
133.06497	4.1
133.10109	34.4
135.07979	2.9
135.11673	4.9
137.05925	1.8
137.09621	3.3
139.03867	0.8
139.07462	2.9
139.11131	1.3
142.07704	1.9
143.08548	5.5
145.06412	2.7
145.10100	6.5
147.04428	1.0
147.08026	5.3
147.11664	8.1
149.09607	5.5
151.11148	11.1
153.09068	0.8
155.08540	1.0
157.10121	7.9
161.05931	0.8
161.09598	20.0
163.11143	8.4
165.09084	0.7
165.12704	2.0
167.10602	0.9
171.08034	4.4
171.11559	0.6
173.04474	0.8
173.09587	1.1
175.11172	10.1
177.05482	1.0
179.10641	9.3
181.12152	1.1
187.11240	0.8
189.09065	10.8
189.11130	3.0
191.10699	3.3
193.12215	23.2
197.11649	3.6
205.12180	0.7
207.10135	3.1
209.11697	7.8
211.13254	5.6
219.02002	0.7
219.13779	8.4
223.13187	2.3
225.09190	0.8
225.11194	11.8
227.12698	5.8
241.14288	2.1
243.12244	1.1
249.14725	1.7
259.13138	0.8
263.39813	0.7
267.15869	87.4
268.16183	2.2
281.13846	5.7
283.15366	15.5
285.16846	4.0
299.14859	65.6
300.15134	2.0
301.16562	4.0
315.18280	0.8
353.21088	1.1
367.22690	0.8
371.22104	1.2
381.20712	1.6
385.23590	1.6
389.23254	1.1
399.21631	1.3
407.24316	0.9
433.25516	0.8
437.25168	1.3
445.25705	9.2
447.27020	0.8
449.25186	1.4
455.24380	1.5
459.27371	9.4
463.26913	6.5
473.25305	27.3
474.25516	1.5
477.28308	8.0
491.26337	100.0
492.26556	5.8
509.27371	12.3
523.28912	3.2
533.27502	1.7
587.28357	1.1
617.29865	0.9
635.30865	0.9
657.07489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
55.01622	1.0
55.01861	10.8
55.05500	32.1
57.03151	1.2
57.03426	21.9
57.07053	2.1
59.04989	38.8
61.02910	5.0
64.94709	0.6
65.03919	1.9
67.05492	63.0
69.03417	5.5
69.07057	8.4
69.52720	0.7
71.01334	0.9
71.04978	13.5
71.81076	1.4
73.02891	1.6
79.05478	30.4
81.03404	28.1
81.07040	28.6
81.07526	1.2
83.01330	7.7
83.04968	15.4
83.08604	23.3
85.02888	11.8
85.06522	2.6
87.04453	53.9
91.03925	1.9
91.05463	21.6
92.05786	0.8
93.07028	26.4
94.07351	0.8
95.04950	13.1
95.08587	12.7
97.02867	7.2
97.06513	6.4
97.10145	17.6
99.04433	16.8
99.08068	0.8
103.03944	1.0
103.05431	1.3
105.03403	1.0
105.07002	14.1
107.04930	11.5
107.07889	1.2
107.08572	17.6
109.02855	1.3
109.06502	8.7
109.10142	44.2
110.10476	1.0
111.04426	5.0
111.08047	6.1
113.05975	0.8
115.03896	1.6
115.05409	1.5
117.05495	0.6
117.06999	8.6
119.08556	15.3
121.06485	4.5
121.10126	10.8
123.04452	0.8
123.08038	8.1
125.05966	2.6
125.09601	14.1
127.03878	1.9
128.06212	0.8
129.05461	1.1
129.06978	4.8
130.07764	1.3
131.04826	0.9
131.08571	6.6
133.10114	5.5
135.08032	3.1
135.11658	11.0
137.09592	4.7
143.08594	1.0
143.10617	1.8
145.06458	1.9
145.10101	15.6
147.08025	3.1
147.11671	3.9
149.09595	3.2
153.12721	3.4
155.08490	2.1
155.10580	3.8
157.10104	3.2
161.09482	0.7
163.11153	28.1
164.11485	1.2
173.09598	4.7
173.11690	18.1
175.11136	1.8
181.12158	4.8
187.11029	0.6
189.11206	1.2
191.10660	4.4
193.12210	8.6
195.13875	0.7
199.13235	11.8
209.11691	10.7
209.83723	0.7
211.13307	4.0
223.13234	2.0
227.12715	11.4
227.14758	1.1
229.14314	56.1
230.14716	1.1
241.14307	5.7
257.13797	2.1
265.14243	0.8
267.15854	23.2
283.15356	89.9
284.15656	1.6
285.16904	3.1
311.14758	4.7
315.17963	8.6
367.22610	1.8
385.23764	2.2
407.24216	4.2
425.25256	18.4
433.25903	2.9
437.25287	100.0
438.25659	5.0
441.26263	1.2
459.27347	16.8
473.25235	1.3
475.26923	1.5
477.28378	11.7
483.14603	0.8
491.26572	2.4
509.27219	2.6
523.28931	3.7
541.29828	4.8
576.35608	1.6
738.41010	0.9
749.39856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
55.01864	13.8
55.05501	44.3
57.03431	26.3
57.07057	1.6
59.04700	2.4
59.04991	33.6
61.02913	5.7
65.03918	3.1
67.05494	75.5
68.77201	1.1
68.98339	0.9
69.03415	8.0
69.07053	12.3
70.22596	4.0
70.23009	2.0
71.01347	2.8
71.04982	20.5
73.02901	3.0
73.97633	1.1
77.79607	0.9
79.05479	47.1
81.03405	68.8
81.07043	43.2
83.01317	10.3
83.04967	24.0
83.08607	38.1
85.02893	21.5
85.06527	4.8
87.04453	45.0
91.03934	1.8
91.05463	34.7
91.31625	1.0
92.05840	1.3
93.07026	41.7
95.04950	27.9
95.08591	19.7
97.02881	11.3
97.06515	8.8
97.10153	22.9
98.20797	1.3
99.04437	26.2
99.05036	2.0
99.08021	1.9
101.06026	1.8
103.03882	1.1
105.03384	1.9
105.07016	25.5
107.04940	14.2
107.08570	27.1
107.24785	1.1
109.02872	2.8
109.06499	13.5
109.10145	50.2
109.20078	1.1
111.04427	9.1
111.08057	10.4
113.05975	1.7
115.03951	1.9
115.05543	1.3
117.07008	11.4
119.04861	1.5
119.08565	24.0
120.08865	1.4
121.02853	2.2
121.06502	5.7
121.10118	13.9
123.04415	2.4
123.08047	12.5
125.05961	2.4
125.09605	23.2
127.03912	3.8
129.06966	10.8
130.07722	1.3
131.04877	1.1
131.08542	11.6
133.06467	2.9
133.10094	10.4
135.08028	4.2
135.11668	17.5
137.05969	1.3
137.09579	5.5
139.07527	1.4
142.07726	1.8
142.36038	1.2
143.08565	2.2
143.10678	2.4
145.06471	5.0
145.10109	22.2
147.08055	5.9
147.11655	8.5
149.09570	6.5
153.12721	5.3
155.08527	3.4
155.10657	3.3
157.10110	9.9
163.11147	31.8
164.11577	1.7
165.12752	2.7
166.07231	1.1
173.04526	1.8
173.09615	6.8
173.11723	16.2
175.11162	10.1
177.05470	1.3
177.12685	1.3
181.12189	6.4
184.07327	2.2
187.11240	1.2
189.11270	1.8
191.10629	8.2
193.12218	27.9
199.13257	16.9
205.12213	1.1
209.11681	13.2
209.13448	1.3
211.13274	16.0
223.13312	4.0
227.12729	15.3
229.14311	56.1
230.14531	1.8
241.14326	8.8
257.13809	3.0
265.14398	1.6
267.15869	57.8
268.16162	1.7
273.14923	2.6
283.15359	100.0
284.15723	3.0
285.16922	12.4
287.93375	1.0
311.14941	4.4
315.17987	11.4
349.21317	1.9
350.24152	1.3
367.22580	3.6
374.20563	1.1
385.23691	6.0
407.24356	6.4
425.25247	31.7
433.25754	5.9
437.25287	82.0
438.25525	3.6
441.26239	4.5
459.27338	43.3
473.24930	2.4
477.28467	32.4
491.26154	5.9
495.29376	4.1
509.27310	2.1
523.28955	7.3
541.29767	4.0
549.95209	1.2
639.33331	4.4
639.86511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48059	1.2
53.03938	6.0
55.01870	8.0
55.05504	33.2
57.03424	11.0
57.07070	3.7
58.60379	1.2
59.04995	3.1
61.02914	21.8
62.32957	1.5
65.03926	2.4
67.05494	58.3
68.05836	1.4
69.03416	17.4
69.07055	20.6
69.85867	1.4
71.01323	2.2
71.04983	14.3
71.81135	1.5
73.02897	7.3
79.01931	1.2
79.05484	45.7
81.03406	28.2
81.07040	62.0
83.04960	13.6
83.08611	21.3
85.02888	20.6
85.06531	5.2
91.03938	8.9
91.05467	43.8
91.58513	1.3
93.07025	48.8
95.04957	17.5
95.08598	38.0
97.02865	17.6
97.06503	7.3
97.10149	15.9
99.04440	4.0
99.08067	5.6
103.05468	2.0
105.03360	3.7
105.04541	1.4
105.07010	42.8
107.04916	6.7
107.08576	30.9
109.02879	5.4
109.06504	8.9
109.10141	24.9
111.04440	4.6
111.08053	8.4
115.05415	4.0
117.07008	21.2
119.04848	1.5
119.08563	35.3
120.08903	1.5
121.06481	7.5
121.10125	19.2
123.08037	6.7
123.11689	6.4
125.09628	13.8
127.03937	5.3
128.06197	5.2
129.05476	2.0
129.06963	18.5
130.07726	1.6
131.08548	37.0
133.06480	6.2
133.10101	28.7
135.08035	9.6
135.11687	11.5
137.09587	2.6
139.11145	1.6
141.06981	8.1
142.07741	4.8
143.08534	21.3
145.06427	3.1
145.10094	26.7
147.08047	7.2
147.11682	13.4
149.06012	1.5
149.09602	6.4
149.13219	3.7
151.11172	5.5
153.06963	2.7
153.08968	1.6
154.07686	2.2
155.08513	15.0
156.09357	2.7
157.10109	24.9
159.08015	4.4
159.11676	21.7
161.09586	7.5
161.13239	6.4
163.07516	1.7
163.11221	6.5
165.12746	3.3
166.07678	1.7
167.08556	5.7
168.09361	2.3
169.10098	16.8
169.88937	1.3
171.08052	2.2
171.11635	19.4
173.09647	5.3
173.13206	11.9
175.11168	7.8
175.14824	2.0
179.08517	2.0
181.10092	9.9
181.11618	1.6
183.11679	15.2
185.09560	3.1
185.13216	13.5
187.11176	4.4
187.14796	5.2
189.11203	8.3
189.12744	2.2
191.08574	1.7
193.10368	2.3
193.12227	10.5
195.11639	9.1
196.08731	1.6
197.13283	9.5
199.11226	3.0
199.14789	6.4
201.12709	2.4
203.14357	1.8
205.10097	2.3
207.11678	4.6
209.13226	8.7
211.13232	11.5
211.14919	4.6
213.12709	2.8
215.14340	2.5
217.15807	2.4
219.11629	2.7
221.13264	3.6
223.14880	3.1
225.16492	1.7
227.12697	12.7
229.14349	3.8
235.14873	2.6
245.18938	2.3
253.14346	4.2
255.21022	1.7
259.20471	3.1
263.20160	1.7
267.15881	4.8
273.18555	12.8
275.20279	2.2
279.17307	1.6
283.15405	2.4
283.20532	5.6
285.16977	4.6
285.22134	5.8
291.19458	15.6
295.20340	2.2
297.18658	1.9
297.21957	3.2
299.20203	2.3
299.23633	6.8
301.21472	2.8
307.20584	2.2
309.20944	2.2
311.20090	1.7
313.21658	2.6
315.22986	2.2
321.22101	2.7
325.21570	2.1
327.22833	1.6
339.23059	3.0
341.25024	1.7
347.22223	4.4
357.23904	1.7
365.23181	10.4
381.65768	1.4
399.24826	1.9
415.29922	4.3
421.25583	2.9
429.20981	5.2
429.26556	1.8
433.30954	15.7
443.27765	4.6
451.32013	14.9
461.28943	2.2
469.33051	8.0
471.32272	1.9
483.34668	2.1
489.33447	3.2
499.33850	4.8
507.34769	9.0
517.35175	18.3
525.35693	88.1
526.35883	3.3
539.37207	2.8
541.34924	1.7
543.36737	100.0
544.36920	6.0
557.38849	22.9
575.39587	27.9
669.39209	2.7
679.40112	3.5
687.40845	4.3
701.37909	2.0
705.41486	3.9
719.39764	9.5
737.43420	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	737.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.9
55.01861	17.4
55.05231	2.9
55.05501	55.7
55.34115	1.8
57.03428	19.6
57.07053	3.7
59.04976	4.1
61.02907	6.1
62.91299	1.6
65.03927	3.7
67.05492	69.9
69.03418	32.5
69.07053	38.8
71.01349	4.2
71.04979	15.7
71.10899	1.8
71.78909	2.7
72.26746	1.8
73.02906	5.1
79.05479	68.0
80.05804	3.8
81.03402	100.0
81.07042	76.1
83.04969	39.6
83.08605	35.3
85.02891	28.7
85.06532	5.4
85.42583	2.2
87.04466	2.2
91.03963	2.1
91.05465	68.9
92.05784	2.3
93.07030	61.9
95.04957	39.0
95.08586	36.2
97.02876	26.2
97.06513	17.8
97.10146	35.0
99.04450	11.5
99.08088	2.6
105.03370	2.3
105.07013	58.0
106.07361	3.1
107.04943	22.0
107.08574	41.7
108.08945	3.1
109.02879	16.7
109.06509	16.2
109.10155	20.9
111.04401	15.9
111.08065	13.1
114.06763	1.9
115.05453	3.8
117.07008	22.2
119.04911	3.4
119.08556	49.4
121.02858	2.7
121.06485	13.9
121.10130	28.5
123.04424	4.1
123.08042	17.2
123.11691	8.3
125.09616	26.6
127.03870	16.3
128.06207	5.1
129.05440	5.2
129.06975	17.2
130.07793	2.7
131.04868	2.7
131.08545	31.7
133.06448	9.5
133.10118	28.7
133.54440	2.3
135.08025	12.4
135.11638	13.6
137.09607	4.9
141.06970	3.7
142.07715	3.9
143.08516	8.1
145.06480	4.3
145.10095	27.5
147.08026	15.2
147.11633	25.3
149.05995	3.4
149.09612	12.3
149.13254	3.8
151.07527	3.7
151.11102	3.6
153.09120	5.1
153.12744	4.7
155.08510	5.3
157.10091	20.0
159.08052	5.3
159.11655	8.3
161.09618	7.1
161.13205	3.7
163.11118	20.5
163.14832	2.1
165.09084	5.1
165.12733	5.2
169.10118	5.1
171.10257	2.5
171.11670	6.8
173.04436	5.2
173.09598	4.1
173.13217	4.6
175.11142	16.0
177.12744	2.4
181.10150	3.3
181.12227	5.6
183.11632	5.6
184.80429	1.9
185.06114	1.9
185.09557	2.7
185.13298	3.1
187.11169	3.5
189.11186	15.9
189.12675	3.8
191.10689	6.2
191.14294	2.8
192.23761	2.0
193.12215	40.1
197.09567	2.4
197.13206	2.8
199.10942	2.0
199.14771	2.8
201.12733	2.2
205.12198	2.7
209.11588	2.9
209.13260	2.6
211.11232	2.7
211.13226	46.0
211.15073	3.4
219.13918	2.2
223.13289	14.5
227.12750	33.4
227.17726	2.3
229.14362	3.5
231.13745	3.3
233.15288	2.5
245.13754	2.5
245.19044	2.6
247.13188	2.2
249.14865	4.3
257.18878	4.5
265.14355	2.2
267.15878	32.8
273.18396	25.3
275.19977	25.0
276.20285	2.2
283.15344	25.4
285.16904	17.3
291.19489	80.2
292.19751	4.7
293.21121	2.2
301.14420	2.3
309.20645	2.8
313.21439	4.6
331.22803	3.6
347.22156	9.4
349.23654	12.2
365.18881	2.4
365.23196	34.0
399.21915	2.2
427.19232	2.7
429.21286	17.2
437.24564	2.4
445.26071	3.0
453.24728	4.1
459.27396	4.6
461.29031	2.6
465.29736	4.7
477.28421	18.8
483.31113	3.3
495.29669	3.8
528.37482	23.3
539.33582	11.2
543.36847	3.4
557.34650	72.5
558.34460	4.2
575.35626	47.7
585.31226	2.4
588.86841	2.3
621.32269	7.3
639.33795	3.3
655.37714	2.3
683.37756	3.5
701.38159	5.9
719.27832	2.5
719.39948	42.6
720.39392	3.4
737.42273	11.5
737.53656	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	736.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
53.98427	0.4
55.01865	6.2
55.05500	12.5
57.03427	9.6
57.07055	0.9
59.04982	2.2
59.57049	0.5
60.05624	0.8
61.02913	0.8
65.02705	0.4
65.03924	1.3
67.05492	21.5
67.25055	0.4
68.16772	0.5
69.03419	4.4
69.07058	5.2
70.97299	1.1
71.01328	1.3
71.04979	6.1
79.05479	22.9
81.03403	53.2
81.07040	23.8
81.07530	0.7
83.01328	5.4
83.04964	15.3
83.08603	17.9
83.33385	0.5
85.02894	13.2
85.06521	1.3
91.05463	23.8
93.07027	23.3
93.41557	0.4
95.04949	19.9
95.07987	0.7
95.08588	10.2
97.02872	5.8
97.06514	4.9
97.10162	4.3
99.04427	2.7
99.08035	1.0
105.07012	15.4
107.04932	10.5
107.08572	11.6
109.02849	3.0
109.06498	7.8
109.10130	4.8
111.04413	5.0
111.08071	6.3
113.05959	1.7
115.05436	1.3
117.06995	6.3
119.04919	0.9
119.08557	16.4
121.02824	0.5
121.06488	4.0
121.09354	0.7
121.10126	8.4
123.04398	1.1
123.08044	6.3
123.11687	1.2
125.05972	1.5
125.09611	2.9
127.03925	2.5
128.06223	0.7
129.05502	1.0
129.06979	7.7
130.07773	1.0
131.04892	1.9
131.08542	8.2
133.06494	2.3
133.10120	5.6
135.08031	2.8
135.11670	8.1
137.02391	0.6
137.05972	0.5
137.09604	2.1
139.07520	0.6
142.07768	2.2
143.08539	1.0
145.06438	0.9
145.10101	9.6
147.04395	0.7
147.08029	3.9
147.11662	8.2
149.05948	0.5
149.09593	4.2
153.12697	3.6
155.08498	1.4
157.10100	8.3
159.08165	0.6
159.11606	0.6
161.09601	0.6
163.11154	13.7
165.12773	2.4
169.10130	0.5
169.87508	0.5
171.08183	0.7
173.09587	2.3
173.11679	1.5
175.11163	8.3
181.12175	2.5
183.11674	0.5
189.11203	0.8
191.10577	2.2
193.12213	19.2
205.12131	0.6
209.11674	2.7
211.13252	18.2
212.13548	0.8
214.08292	0.4
223.13254	1.7
227.12737	4.8
229.06357	0.6
229.14301	6.0
245.15407	0.5
247.13217	1.4
249.14836	1.1
265.14319	1.9
267.15881	16.1
268.16119	0.5
268.61172	0.5
269.03745	0.5
273.14777	0.5
283.15363	19.5
284.15820	0.6
285.16946	6.3
286.17325	0.6
297.16959	1.8
353.15875	0.8
355.17459	0.8
365.20831	0.6
373.41727	0.5
383.22110	2.9
393.19147	0.6
401.23230	1.0
403.24725	0.9
411.20187	0.8
421.25769	5.6
427.19666	5.3
429.21082	4.9
457.25742	6.0
471.27414	1.0
475.26859	22.3
476.26953	1.0
489.28165	3.6
493.27890	100.0
494.28342	4.3
507.29651	0.9
601.30347	0.8
619.30701	3.0
637.32117	17.8
638.32300	1.3
655.32745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.0
55.01862	24.0
55.05502	55.1
57.03423	16.4
57.07069	4.3
57.62474	2.3
59.04976	6.6
61.02899	3.8
65.03934	5.3
67.05494	67.8
69.03419	40.4
69.07056	28.9
70.89054	5.9
70.89390	2.4
71.01331	3.6
71.04978	14.3
73.02890	3.9
79.05479	58.5
80.05852	2.7
81.03402	82.8
81.06590	3.7
81.07043	61.5
83.01327	4.6
83.04961	33.6
83.08604	34.0
85.02888	19.2
85.06554	4.3
86.09737	2.1
88.29393	2.1
91.05468	49.5
93.07029	63.2
95.04945	27.4
95.08598	32.0
97.02877	24.3
97.06513	14.0
97.10149	30.7
98.21362	2.3
99.04442	13.2
103.03933	2.8
103.05458	4.1
105.03379	3.7
105.04440	2.4
105.07014	40.1
107.04948	28.7
107.08571	46.5
109.02874	24.1
109.06496	17.1
109.10120	15.8
111.04419	20.6
111.08051	9.6
115.05399	6.6
117.07014	24.2
119.04898	3.9
119.08564	38.4
120.31141	2.1
121.02826	3.6
121.06470	14.3
121.10129	19.6
123.04401	6.2
123.08026	19.3
125.02271	2.1
125.06023	3.2
125.09605	29.6
127.03908	22.7
128.06142	4.1
128.08185	2.2
129.05475	3.4
129.06996	12.3
131.08545	22.3
132.53419	2.2
133.06480	5.2
133.10103	12.4
135.04422	3.4
135.08075	12.5
135.11652	21.9
137.09563	4.8
139.17882	2.3
141.06981	4.6
142.07745	2.3
143.08572	11.0
145.06442	6.7
145.10115	26.3
147.04288	2.4
147.08018	13.3
147.11662	8.4
148.07616	2.3
149.05920	4.9
149.09596	6.3
151.07510	3.6
153.09129	4.5
153.12735	14.0
155.08502	4.7
157.10097	9.2
159.08015	6.1
159.11630	7.1
161.09590	11.8
161.13231	3.0
163.11169	33.4
165.09113	3.9
169.10097	3.7
171.11629	5.9
173.04463	10.4
173.09552	6.4
175.11154	6.8
177.12689	2.9
181.12158	11.7
184.07373	3.4
185.09599	3.3
187.11096	2.8
189.05266	2.1
189.11162	18.9
189.12718	3.6
191.10628	11.7
193.12173	5.6
195.11627	4.4
201.12656	2.9
203.10616	3.8
205.12148	3.1
209.11684	7.9
211.13220	5.6
223.13187	15.6
225.11142	5.9
227.12711	47.5
227.14781	4.1
245.18982	3.3
249.14928	4.1
255.17245	3.7
261.14688	2.9
261.18488	3.0
263.19937	2.3
265.14310	3.6
267.15839	5.0
273.18457	35.8
275.20132	3.4
283.15378	47.3
291.19489	100.0
292.19815	3.4
315.19345	3.2
329.20950	2.8
333.20554	2.6
347.22095	8.9
353.15881	5.6
365.23187	37.6
396.37570	2.5
409.18677	3.7
417.22260	3.6
427.19720	24.0
435.23856	4.2
447.58038	2.5
451.23227	3.2
453.24576	6.4
486.10083	2.7
491.26370	4.1
509.27094	4.3
541.34955	3.0
555.33124	15.4
573.34094	45.6
591.35980	3.8
637.31024	6.6
667.16803	2.6
699.36780	3.6
717.38336	46.5
718.38000	4.1
735.39117	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
56.05023	0.6
56.19563	0.1
57.03414	0.1
57.07048	0.2
58.06619	0.4
59.07379	0.1
59.20943	0.1
60.08151	5.8
61.08476	0.1
65.57757	0.1
67.05497	0.4
69.07050	0.2
69.70152	0.5
69.70557	0.1
70.06568	0.2
71.07359	2.9
71.08627	0.2
79.05462	0.2
81.07042	0.3
83.08628	0.1
85.02882	0.1
85.10167	0.1
86.09689	29.6
87.04459	0.1
87.09994	0.4
89.06022	0.4
91.05449	0.2
93.07018	0.2
95.08575	0.2
98.20771	0.2
98.98446	2.6
101.89806	0.1
104.10715	2.1
105.07016	0.1
107.08563	0.1
109.10161	0.2
114.70010	0.1
119.08575	0.1
121.10151	0.2
124.99979	19.5
126.00311	0.2
132.75075	0.1
133.08592	0.2
133.10146	0.1
143.01044	0.3
166.02701	0.2
175.18797	0.1
177.11208	0.1
184.07309	100.0
185.07672	1.4
189.19765	0.1
195.00294	0.1
335.25644	0.1
468.23584	0.2
561.37256	0.1
724.23132	0.1
732.47992	6.5
733.48553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	0.9
66.27749	0.3
69.03400	0.5
70.06569	0.3
70.52690	0.8
70.53091	0.6
81.03400	0.4
82.78700	0.3
85.02878	1.0
91.03919	0.4
97.02871	0.5
97.06510	0.9
109.02885	0.6
116.52628	0.3
119.56622	0.3
121.02855	0.5
127.03883	0.4
137.02296	1.0
137.05922	0.9
145.04852	0.5
153.01804	0.6
165.01817	0.5
165.06995	1.1
178.05128	0.5
179.08582	0.7
180.09253	1.3
189.06915	1.6
190.07765	4.9
191.08525	75.7
192.08891	3.0
195.08038	0.4
202.07808	0.3
205.10088	2.0
206.04536	0.5
207.08031	0.6
208.08818	3.2
218.07248	1.6
219.08014	82.7
220.08727	10.8
223.11098	0.7
229.04903	0.9
233.09570	0.7
233.11722	0.4
236.08287	12.6
237.08684	0.4
249.91888	0.3
250.14320	1.1
251.10635	100.0
252.11018	3.4
257.04477	0.5
268.13281	95.2
269.13626	3.7
274.05014	0.4
303.04947	31.7
304.05161	1.1
429.06845	0.4
662.85968	0.3
761.05200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05023	0.7
57.07054	0.1
58.06302	0.1
58.06615	0.4
59.07385	0.1
60.08151	6.3
63.16584	0.1
63.98385	0.1
67.05212	0.1
67.05491	0.5
69.07049	0.2
70.06570	0.1
71.07358	3.3
71.08613	0.3
71.13248	0.2
71.13638	0.1
72.73088	0.1
79.05462	0.2
81.03423	0.1
81.07038	0.5
83.04948	0.1
83.08570	0.1
84.92838	0.1
85.02879	0.1
85.10159	0.1
86.09688	30.8
87.09531	0.1
87.10013	0.4
90.75977	0.1
91.05443	0.2
93.06995	0.1
95.04960	0.1
95.08582	0.4
97.10157	0.1
98.98445	2.8
104.10725	2.0
104.11431	0.1
105.03377	0.2
105.07016	0.2
107.08539	0.1
109.10175	0.1
116.99471	0.1
117.07046	0.1
119.08527	0.1
121.02837	0.2
121.10118	0.1
124.99976	20.2
126.00332	0.1
131.08635	0.1
133.10144	0.1
135.11639	0.1
143.01009	0.4
145.06453	0.1
149.89882	0.1
152.65764	0.1
155.14240	0.1
166.02681	0.2
173.05986	0.1
183.04375	0.1
184.07307	100.0
185.07663	1.1
201.05472	0.2
202.05794	0.1
221.49014	0.1
228.63829	0.1
229.04831	0.3
230.05293	0.2
240.10295	0.1
247.05907	0.1
266.24695	0.1
274.73242	0.1
383.18640	0.1
384.18896	0.2
401.19647	0.2
402.19778	0.4
450.23013	0.1
468.23444	0.1
489.36301	0.1
502.32782	0.1
533.38055	0.1
538.32581	0.2
730.46381	5.9
731.46619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.1
55.05496	0.1
56.05022	0.7
58.06296	0.1
58.06609	0.4
59.07371	0.1
60.08150	6.6
64.07242	0.1
65.03903	0.1
67.05489	0.6
69.07028	0.2
70.06561	0.1
70.13705	0.3
71.04944	0.1
71.07356	3.4
71.08588	0.1
79.05466	0.3
80.97414	0.1
81.03385	0.1
81.07033	0.6
83.04958	0.1
83.08578	0.1
86.09686	31.9
87.10004	0.3
91.05443	0.3
93.07010	0.3
95.04357	0.1
95.04942	0.1
95.08574	0.3
97.06474	0.1
97.10153	0.1
98.21336	0.1
98.98441	2.9
104.10719	2.3
105.06982	0.2
107.08562	0.2
109.10123	0.2
116.99473	0.1
119.08553	0.1
121.02784	0.1
121.10140	0.1
123.11667	0.1
124.99974	20.6
131.08572	0.1
135.11684	0.1
143.01004	0.4
145.10133	0.1
147.11781	0.1
151.11230	0.1
154.07213	0.1
166.02625	0.2
171.39044	0.1
184.07301	100.0
185.07632	1.1
229.04866	0.1
255.15990	0.1
273.16879	0.1
274.44348	0.1
335.25729	0.2
350.88470	0.1
489.35745	0.2
520.33893	0.2
533.38116	0.1
568.40729	0.1
601.89325	0.1
712.45416	0.2
730.46332	7.5
731.46649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
54.60711	0.2
55.01862	1.3
55.05493	1.3
57.03436	1.7
59.04981	0.3
61.02922	1.4
61.54360	0.3
65.03924	0.5
66.77287	0.2
69.03417	13.3
70.06577	0.4
70.62806	0.2
71.04980	4.3
71.78812	0.5
73.02905	7.4
74.09688	0.3
79.05486	0.4
81.03405	23.8
82.03724	0.3
83.01331	0.4
83.04967	3.1
85.02890	34.3
86.03204	0.4
87.04456	1.7
91.03915	0.5
91.05466	11.7
91.43467	0.3
95.04945	0.8
97.02875	21.1
98.03211	0.2
99.04439	37.1
100.04771	0.5
101.02371	0.4
103.03926	19.9
105.03374	0.6
105.06993	0.6
107.04942	0.6
109.02859	44.6
110.03117	0.5
111.04427	1.1
115.03230	0.3
115.03906	2.0
117.06973	0.3
119.04949	0.5
121.02830	0.5
121.06541	0.3
123.04435	0.5
124.07618	0.3
125.02337	1.0
127.03893	100.0
128.04251	1.6
129.05507	0.4
129.06972	0.6
133.06467	0.4
135.04424	0.4
137.02306	0.8
137.05936	0.4
139.03856	0.8
143.08524	0.6
145.04936	25.4
146.05281	0.4
147.04401	0.5
151.03914	0.7
153.01781	0.5
155.03305	0.4
157.04953	1.2
157.06303	0.3
161.05931	0.7
163.03911	0.5
163.05992	6.5
163.07422	0.3
165.05458	0.7
168.06543	0.4
169.04909	2.9
171.07988	0.6
173.04344	0.4
175.07500	0.4
177.05473	0.5
181.04906	0.6
181.48161	0.3
187.05986	15.8
188.06261	0.4
189.05472	0.9
191.06999	0.5
193.04958	0.8
199.05920	0.9
199.07512	0.9
205.05144	0.5
205.07001	4.1
207.06470	0.4
209.08034	1.6
211.05992	1.6
215.05540	0.5
217.04893	0.8
217.06769	0.4
217.08606	0.9
227.09096	0.7
229.07013	3.4
235.05937	2.6
235.09694	0.5
245.04446	1.0
245.10170	0.8
247.08150	2.1
253.07022	8.1
263.05383	0.4
271.08078	23.1
272.08228	0.8
277.10535	0.5
287.05536	0.5
289.09116	13.6
290.09515	0.6
295.08029	0.5
295.11508	0.4
299.07684	0.4
303.04749	0.3
307.10172	3.1
313.09204	1.3
331.09964	1.2
333.68576	0.3
342.16812	0.6
349.11191	1.4
379.10123	1.7
397.11191	7.0
398.11404	0.5
415.12286	17.1
416.12589	1.1
433.13361	11.2
434.13531	1.0
451.14407	2.9
505.16815	0.4
523.17902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01862	0.9
55.05502	3.8
57.07069	26.4
60.08147	2.8
65.03940	1.6
66.45818	0.7
67.05171	1.1
67.05495	13.8
69.07053	6.3
71.07339	1.9
71.08621	35.6
71.79768	1.2
79.05475	2.3
81.07044	21.9
82.47633	0.7
83.04962	1.2
83.08577	1.7
85.10165	17.2
86.09692	14.6
87.10024	1.4
91.05453	2.3
93.07019	2.3
95.04951	4.5
95.08592	26.0
98.98444	1.3
105.03380	12.4
105.04479	0.8
105.07012	0.8
107.04935	2.5
107.08598	1.6
109.10136	1.4
111.04414	2.3
115.05431	1.0
117.07002	2.8
119.04941	0.8
119.08498	0.8
121.02853	6.6
124.99977	10.4
131.04932	1.6
131.08517	1.5
135.04373	2.0
137.13214	2.6
139.03900	2.3
141.06914	0.9
145.06473	10.7
155.04898	2.5
155.14278	20.0
157.06464	1.7
159.04388	2.8
161.05933	1.7
169.06534	0.8
171.04405	1.5
173.05956	37.0
175.03903	1.5
177.05418	0.8
183.04384	15.2
183.13614	0.7
184.07309	50.0
185.05943	2.6
185.07642	6.0
187.03880	7.1
195.07947	0.8
197.05954	4.2
199.03906	1.0
200.04645	1.8
201.05437	53.6
202.05748	1.9
203.03377	1.3
203.07030	0.9
211.03815	3.3
211.07129	0.7
213.05444	7.0
217.04837	1.3
221.06015	1.4
223.07538	1.3
225.05455	2.0
227.03339	4.1
229.04927	100.0
230.05272	2.9
231.06578	1.9
238.08575	2.9
239.07101	1.0
240.10115	2.6
245.04387	10.3
247.06006	14.0
247.08554	0.9
254.07956	0.8
255.02849	1.5
257.04404	2.2
311.18460	2.4
327.19254	0.7
337.17923	4.2
339.19397	3.5
341.17505	3.8
351.08890	0.8
355.19031	6.3
357.20493	2.7
358.34244	0.7
359.18417	3.2
365.17480	5.8
366.17795	0.9
373.20035	4.0
383.18472	22.1
384.19318	0.8
401.19556	73.5
402.19775	2.7
495.30643	1.4
509.32416	1.0
511.34064	2.8
513.14221	1.0
519.31122	1.3
527.33246	1.3
537.32092	13.3
538.31708	1.1
636.44470	0.8
729.46008	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01859	0.5
55.05493	1.0
56.46666	0.2
57.03425	2.2
59.04982	0.8
61.02913	4.4
65.03937	0.3
67.05486	2.7
69.03413	2.7
69.07053	0.9
71.01343	0.6
71.04976	1.8
71.80902	0.4
73.02899	3.1
78.21869	0.2
79.05473	2.8
81.23054	0.3
83.04982	1.2
83.08604	2.0
85.02888	5.9
85.06506	0.5
87.04460	0.7
91.03932	2.2
91.05464	4.4
93.07018	2.4
95.04960	2.4
95.08601	1.5
97.02875	4.6
97.06520	0.6
97.10192	0.3
99.04462	0.7
99.08118	0.3
101.02369	1.7
103.03934	0.5
105.03394	0.3
105.07001	3.1
105.07642	0.4
107.04953	0.8
107.08552	1.5
109.02893	1.0
109.06498	0.6
109.10146	0.4
111.04431	0.4
111.08064	0.8
115.03960	0.4
117.07043	0.3
119.08561	2.1
121.06513	0.5
121.10117	2.6
123.08060	0.5
123.11634	0.3
127.03903	1.6
129.05519	0.3
129.06972	0.8
131.08513	1.5
133.06461	0.4
133.10091	1.7
145.02962	0.2
145.04941	0.4
147.04434	0.3
147.11661	2.7
148.99278	0.2
149.09596	1.6
157.10120	2.2
163.11154	0.4
175.11159	2.2
177.05455	0.5
185.04243	0.6
193.12209	3.1
197.15405	0.5
203.05273	0.6
211.13208	1.4
225.14975	0.7
243.08359	2.5
251.12547	1.2
253.14120	0.3
267.15991	1.0
267.18530	0.3
283.06262	0.3
283.15128	5.2
307.15005	0.5
339.17709	1.4
401.99390	0.3
469.13712	0.6
469.20377	11.4
470.20892	0.9
501.23001	12.7
502.23352	0.8
567.31757	0.6
639.29218	0.4
729.36548	100.0
730.36829	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	728.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.2
55.01863	4.3
55.05498	7.5
57.03186	0.7
57.03428	7.1
57.07052	2.0
60.05626	0.7
60.08148	0.8
61.02901	1.9
62.06024	0.7
65.03906	1.7
67.05492	45.2
69.03399	1.9
69.07057	12.2
69.59034	1.0
69.59438	4.7
71.04984	3.6
71.07341	0.8
71.08613	0.8
73.02904	0.9
79.05480	22.5
80.12025	0.6
81.03423	4.0
81.07043	37.7
83.04982	5.3
83.08603	5.4
84.26726	0.6
85.02874	1.9
85.06523	4.1
85.10156	0.6
86.09697	8.5
91.05461	26.2
93.07028	25.4
95.04951	5.7
95.07981	1.2
95.08585	18.8
96.08878	0.7
97.02836	1.6
97.06514	3.0
97.10155	3.0
99.04425	1.7
99.08064	1.4
105.03386	0.8
105.07018	23.9
107.04893	0.9
107.08576	24.7
109.06501	3.8
109.10138	40.0
110.10433	0.6
111.08068	1.2
113.05968	2.5
117.06973	2.3
119.08571	6.7
121.10117	8.2
123.08046	1.3
123.11681	9.6
124.99986	5.3
125.09586	1.4
127.07511	2.3
128.06187	0.6
131.08540	6.4
133.10104	46.2
134.10442	0.9
134.54024	0.5
135.11673	5.4
137.09615	0.8
137.13239	0.6
143.08447	1.2
145.10072	2.6
147.11626	2.3
149.13197	2.0
151.11159	21.3
151.12387	1.1
159.11697	2.1
161.09558	1.7
161.13239	1.5
163.14775	1.7
169.12190	3.9
172.84360	0.6
173.13231	2.3
179.10632	1.2
184.07324	23.3
187.14728	1.2
201.16240	0.7
215.12714	1.9
236.20120	0.6
243.21039	2.2
253.14308	100.0
254.14713	2.5
261.22098	12.2
271.15347	27.5
271.18320	1.3
279.23172	0.7
317.24649	1.8
335.25745	51.8
336.26129	2.3
385.04703	0.6
395.96225	0.6
421.30423	0.6
439.31870	1.6
457.33026	1.8
466.36212	1.1
503.37335	5.8
513.35645	6.6
514.35760	0.9
531.36743	51.6
532.36908	2.7
549.37762	1.2
669.36890	0.8
696.38666	0.7
728.44476	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	728.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01865	5.3
55.05495	10.5
57.03424	7.5
57.07050	3.1
60.05634	2.9
61.02909	2.8
65.03928	1.9
67.05490	42.7
69.03410	3.0
69.07055	11.0
71.04978	3.1
71.07362	0.9
71.08630	1.3
71.65806	0.9
71.78966	1.2
73.02876	1.2
79.05477	19.6
79.05917	1.7
81.03409	3.8
81.07043	42.1
83.04961	6.3
83.08598	5.3
85.02885	4.0
85.06535	4.3
85.10114	1.1
86.09684	3.8
91.05455	28.5
93.07028	24.8
95.04939	7.0
95.08583	16.5
97.02886	1.1
97.06509	3.4
97.10149	3.0
99.04439	2.3
99.08102	1.2
105.07000	23.2
106.51055	1.0
107.08572	27.4
109.06499	3.4
109.10132	38.9
117.06989	3.2
119.08544	7.1
121.10124	9.1
123.08011	1.6
123.11679	9.2
124.99984	2.5
127.07536	3.0
131.08534	4.8
131.27432	1.0
133.10100	45.5
135.11697	4.8
143.08521	2.2
144.62819	1.2
145.10121	3.5
147.11671	3.7
149.13243	2.9
151.11145	21.7
159.11729	2.4
161.09618	2.0
161.13235	1.7
169.12192	4.4
173.13249	2.1
179.10658	1.4
184.07297	14.2
215.12794	3.2
229.04916	1.2
243.21068	3.7
244.89929	1.2
253.14302	100.0
254.14691	3.2
261.22070	13.0
271.15335	38.5
272.15823	1.5
279.23187	1.4
335.25726	30.9
336.26047	1.4
342.16092	1.0
353.27039	1.3
399.02380	1.1
457.33105	2.9
504.25339	1.0
504.56357	1.2
513.35675	9.2
531.36700	44.1
532.36884	1.9
549.37396	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88364	1.6
53.03932	3.7
55.05503	21.5
57.03430	18.3
57.07057	4.3
60.08142	2.6
60.91567	1.7
61.02900	2.1
65.03934	3.8
67.05492	72.4
69.03432	3.0
69.07053	21.8
71.01343	3.8
71.04980	5.4
71.08594	3.2
71.81388	1.8
79.05478	70.6
81.03393	5.3
81.07040	50.7
83.04954	10.6
83.08589	8.3
85.02880	2.8
85.06525	5.5
86.09692	10.6
88.22296	2.0
91.05467	60.6
93.07027	81.9
93.47314	1.8
94.07370	2.0
95.04919	10.5
95.08580	34.3
97.06510	13.8
97.10137	12.7
98.98470	2.4
99.08056	3.8
105.03354	3.0
105.04477	1.9
105.07008	61.7
107.04943	2.2
107.07889	3.4
107.08575	51.4
109.06502	4.1
109.10118	15.1
111.08064	4.0
115.05421	3.1
117.07002	17.3
119.08558	63.2
121.10117	21.0
123.08039	2.8
125.00011	6.4
125.09582	2.8
129.06963	9.2
131.08542	18.6
133.10107	42.6
133.11115	2.4
135.07986	2.4
135.11673	64.9
137.09625	2.9
141.06950	1.8
142.07761	1.9
143.08470	9.0
145.10097	27.1
147.11668	35.9
149.13242	8.4
151.11192	3.4
153.12732	2.6
157.10115	9.2
159.11664	17.8
161.13242	25.7
163.11128	8.9
163.14883	1.9
165.75822	1.9
169.10110	3.8
171.11624	12.3
173.13155	9.9
175.14790	14.1
177.12790	3.0
181.12206	13.5
184.07321	33.9
184.09885	2.0
185.13249	14.3
187.14792	5.5
199.14824	4.4
215.18121	2.2
217.19530	2.1
231.17334	2.3
231.21040	7.5
241.19475	30.9
253.14366	12.1
255.15865	100.0
259.20520	88.9
260.20929	3.3
315.23062	5.9
333.24197	48.0
334.24304	2.2
409.46329	1.7
421.31018	7.1
439.31973	5.8
457.33405	3.0
503.37106	3.6
513.35718	78.4
514.36237	4.4
531.36743	25.4
750.52850	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.1
56.05025	0.7
58.06303	0.1
58.06615	0.4
59.07370	0.1
60.08153	6.5
62.26003	0.1
63.27244	0.1
67.05482	0.3
69.07066	0.1
69.94807	0.1
69.95143	0.5
70.06578	0.1
71.07358	3.1
71.67868	0.1
79.05466	0.2
81.03404	0.1
81.07032	0.3
82.21020	0.1
85.02861	0.1
86.09690	32.4
87.10027	0.3
91.05463	0.2
93.07027	0.2
95.04946	0.1
95.08588	0.2
98.20837	0.1
98.98448	3.2
104.10728	2.4
104.11434	0.1
105.07015	0.1
109.10130	0.1
116.99471	0.1
119.08539	0.1
121.10149	0.1
124.99979	21.0
126.00353	0.1
126.16360	0.1
133.10153	0.1
135.11707	0.1
143.01028	0.4
145.10091	0.1
162.33347	0.1
166.02618	0.2
184.07310	100.0
185.07655	1.2
204.38036	0.1
224.11708	0.1
241.35466	0.1
468.23788	0.1
504.14349	0.1
518.32611	0.2
522.72986	0.1
572.57928	0.1
710.43658	0.2
728.44885	6.5
729.45148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.4
56.05025	0.7
57.03426	0.2
58.06343	0.1
58.06593	0.3
59.07370	0.2
60.08150	5.7
67.05490	0.8
67.53429	0.1
69.03375	0.2
71.04989	0.1
71.07359	2.9
71.82035	0.2
78.53915	0.1
79.05475	0.3
81.03381	0.2
81.07034	0.7
83.08585	0.3
84.08134	0.1
86.09687	29.8
87.10034	0.2
88.48068	0.1
91.05457	0.4
93.07030	0.4
95.04935	0.2
95.08589	0.4
98.98445	2.6
104.10718	2.3
105.03446	0.1
105.06990	0.2
107.08553	0.3
109.10136	0.5
119.08527	0.2
121.10117	0.2
124.99976	19.4
128.14584	0.1
129.06900	0.2
133.10103	0.4
143.01025	0.3
166.02664	0.2
167.05690	0.1
184.07304	100.0
185.07692	0.9
226.56844	0.1
253.14478	0.3
269.59836	0.1
271.15295	0.7
335.25836	0.5
466.21848	0.2
531.36694	0.4
728.44788	4.7
729.42993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.1
56.05026	0.6
57.03409	0.1
58.06613	0.4
59.07380	0.1
60.08150	6.5
67.05497	0.3
68.66243	0.1
69.07027	0.1
69.48223	0.1
69.48627	0.5
70.06573	0.1
71.07358	3.3
73.41817	0.0
79.05458	0.2
81.03397	0.1
81.07027	0.2
83.04977	0.1
85.02838	0.1
86.09688	30.4
87.10009	0.4
90.78083	0.0
91.05470	0.3
92.34512	0.1
93.07030	0.2
95.04934	0.1
95.08588	0.1
98.98442	2.9
103.46291	0.1
104.10721	2.2
105.07002	0.1
107.08562	0.2
109.10200	0.1
119.08571	0.1
120.08869	0.0
121.10121	0.1
124.99976	20.6
133.10123	0.1
143.01006	0.4
159.08054	0.1
166.02672	0.2
184.07303	100.0
185.07657	1.1
186.07776	0.1
314.73898	0.1
468.23544	0.2
500.30936	0.1
531.36084	0.2
697.40009	0.1
710.44366	0.1
728.44806	5.7
729.45111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.6
56.05010	0.7
57.07056	0.4
58.06598	0.3
58.93525	0.1
59.07395	0.2
60.08154	6.6
67.05496	1.3
69.07056	0.6
70.06573	0.2
71.07362	3.5
71.08641	0.2
79.05476	0.8
81.03387	0.7
81.07035	1.2
83.08594	0.5
86.09691	30.2
87.10020	0.3
91.05464	1.0
93.07034	0.7
94.21010	0.2
95.04945	0.5
95.08580	0.9
97.10172	0.2
98.98452	2.6
101.61695	0.2
104.10725	2.2
105.07036	0.4
107.08601	0.3
109.10157	0.3
116.99526	0.2
118.23997	0.2
119.08595	0.5
121.10123	0.3
124.99980	20.1
125.66750	0.2
127.51594	0.2
131.08498	0.2
133.10098	0.4
135.11635	0.2
143.01030	0.4
145.10085	0.2
151.11006	0.2
161.09546	0.2
166.02635	0.2
166.26448	0.2
184.07312	100.0
185.07614	0.9
192.67134	0.2
230.29733	0.2
271.15457	0.8
335.25641	0.8
339.27600	0.2
503.37140	1.4
520.34564	0.2
531.37128	0.3
610.57837	0.2
710.45764	0.2
728.44922	6.3
729.44696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01860	0.7
55.05490	0.9
57.03399	1.3
59.04980	0.8
61.02906	0.8
65.03923	0.9
67.05491	2.1
69.03417	4.7
69.07059	2.4
70.41957	1.3
70.42371	0.9
71.04979	1.1
73.02892	1.3
77.03920	0.5
78.04686	0.6
79.05475	5.4
81.03405	6.8
81.07034	1.5
83.01349	0.6
83.04936	0.8
83.08580	0.6
85.02893	14.8
87.04450	0.6
91.05461	6.0
93.07028	4.6
95.04391	0.6
95.04955	6.4
95.08568	1.1
97.02879	10.8
97.06485	0.5
99.04439	13.0
103.03928	16.1
103.05412	2.7
105.07002	4.3
107.04936	24.7
107.08591	0.6
108.04450	0.9
108.05187	0.5
109.02874	6.4
109.06516	0.6
109.10115	0.8
110.03638	0.5
115.05442	1.8
117.06990	2.8
119.04905	1.2
119.08590	0.9
120.05670	0.5
121.06480	6.1
121.10119	0.7
122.03601	0.5
123.04403	8.2
124.05199	2.4
125.05951	2.1
127.03895	19.8
128.06207	0.9
129.06966	2.0
130.07762	3.3
131.04863	0.6
131.08527	1.7
133.06453	0.6
133.10118	0.5
135.04468	0.5
135.08028	2.8
137.02325	0.6
137.05920	1.6
139.58623	0.5
140.04648	1.8
141.06938	0.4
143.08542	8.8
145.04932	8.3
145.06454	1.5
145.10101	26.7
146.10451	0.6
147.04369	1.6
147.07991	0.6
149.05934	2.3
151.03850	1.3
152.04662	0.7
153.05473	0.5
153.06943	0.7
154.06219	0.9
155.07013	4.1
155.08522	5.9
158.07245	22.8
159.07983	2.0
161.05984	0.8
161.09610	0.6
163.03893	0.9
163.05981	4.7
163.07509	4.7
163.11197	1.3
166.06207	3.3
167.07013	93.4
168.07379	1.3
171.06615	0.7
171.08018	1.3
171.40833	0.5
172.08702	0.6
173.09590	56.9
174.09929	1.5
175.07515	1.4
177.05440	0.8
177.09131	0.6
178.06229	1.2
180.07797	0.8
181.04993	8.6
181.08565	52.9
182.08905	1.1
183.06512	3.8
183.09120	2.1
186.06717	4.5
187.05983	1.0
187.07576	0.6
189.09058	2.6
191.10651	2.6
192.07800	1.0
193.08530	1.2
195.10139	11.6
201.09074	92.2
202.09435	3.0
203.06900	0.6
205.08597	0.7
207.10135	0.9
218.09435	2.1
219.10144	7.0
221.11760	0.8
223.13268	1.2
233.11694	100.0
234.12010	1.9
251.12744	41.6
252.13153	1.1
267.15826	0.9
271.08115	0.8
289.09036	0.8
298.26544	0.6
307.10126	0.6
344.12509	0.7
355.15128	1.1
365.13812	0.5
387.17966	59.9
388.18225	2.3
405.18976	8.6
445.25882	1.0
463.27026	1.0
481.27509	0.8
504.54123	0.5
560.53430	0.5
582.07928	0.6
596.08948	0.6
728.34454	0.6
729.31580	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73716	0.3
53.03930	0.8
54.85627	0.3
55.01864	0.7
55.05499	1.4
57.03426	1.6
57.66637	0.4
59.04984	1.1
61.02917	4.8
67.05492	4.4
69.03412	3.3
69.07057	0.8
71.01322	0.6
71.04980	2.2
73.02898	3.6
79.05473	3.6
81.03404	5.1
81.07047	3.2
82.03761	0.5
83.04964	1.7
83.08611	1.6
85.02888	4.5
86.09679	0.9
87.04440	1.0
87.10521	0.3
91.03950	2.4
91.05460	3.1
93.07027	3.3
95.04956	2.8
95.08597	1.5
97.02880	4.5
97.06524	1.0
97.10165	0.5
98.20696	0.5
98.23665	0.3
99.04439	0.9
99.08038	0.3
101.02345	1.9
103.03915	0.8
105.07001	2.3
107.04949	1.3
107.08553	1.9
109.02910	0.9
109.06504	1.1
109.10142	1.2
111.04430	0.5
111.08085	0.6
115.03890	0.3
117.07011	0.9
119.08570	2.2
121.02933	0.4
121.06467	0.4
121.10127	2.4
123.08064	1.0
123.11742	0.3
124.99988	0.3
125.09626	0.6
127.03897	1.6
129.05507	0.3
129.06978	1.0
131.08553	1.6
133.06451	0.9
133.10091	1.5
135.11700	1.4
137.06026	0.4
137.09592	0.5
137.13144	0.3
145.10115	1.1
147.08083	0.6
147.11661	1.3
147.19658	0.3
147.22951	0.3
148.17825	0.3
149.09569	2.1
151.11160	0.6
157.10112	1.2
163.11143	1.8
173.09683	0.4
175.11192	1.2
184.07285	2.3
185.04189	0.6
190.58983	0.3
191.10657	0.4
193.08553	1.5
193.12204	2.1
197.15269	0.4
203.05238	0.6
211.13228	0.4
225.14926	0.7
241.06789	0.3
243.08359	2.7
249.10985	0.4
253.14049	0.4
267.16016	1.2
283.15115	5.0
305.13559	0.4
339.17935	0.7
363.05124	0.4
422.25983	0.6
441.20746	0.4
447.27405	1.7
448.27698	3.2
462.29230	0.5
467.18805	10.5
468.19168	0.6
469.20142	0.8
501.23004	11.3
502.23639	0.5
565.30109	0.4
727.34955	100.0
728.35266	6.8
756.61102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01855	1.2
55.05500	11.5
57.03147	0.8
57.03421	10.1
57.07067	3.2
60.08141	0.4
61.02903	3.2
64.71783	0.4
65.03936	2.3
67.05491	49.0
68.05843	0.7
69.03410	1.6
69.06675	0.9
69.07054	16.4
69.61327	1.1
69.61735	3.3
71.01335	0.6
71.04977	3.1
71.08621	1.5
73.02894	1.2
76.39797	0.4
79.05477	31.3
81.03409	1.2
81.07039	55.9
82.07363	0.7
83.04976	4.1
83.08604	8.1
85.02882	3.4
85.06519	3.0
86.09711	0.6
91.03933	2.0
91.05461	16.6
93.07024	46.2
94.07362	0.5
95.04948	4.7
95.08588	27.8
97.02875	2.1
97.06509	5.7
97.10146	2.4
98.20702	0.9
99.08054	2.0
105.04469	0.6
105.07005	9.4
107.04947	0.7
107.08572	27.7
107.77764	0.4
109.06490	2.2
109.10134	9.6
111.08066	4.2
111.11707	0.8
113.09652	0.7
117.06992	6.3
119.08550	6.7
121.06517	1.1
121.09240	1.0
121.10116	18.6
122.10455	0.4
123.08060	1.2
123.11718	3.4
124.99998	0.6
125.09578	0.9
125.91467	0.5
127.03865	0.7
129.06969	0.5
131.08543	7.9
131.09528	0.4
133.10107	7.7
135.08029	1.1
135.11668	9.8
137.09601	0.5
137.13219	0.8
139.11134	1.1
145.10091	4.0
147.11658	4.0
149.09573	0.8
149.13226	17.1
151.11133	0.7
153.12825	0.4
157.10208	0.6
159.11671	8.3
161.13226	2.2
163.14807	1.2
167.14305	0.5
173.13213	2.5
175.14787	1.0
177.12738	3.1
177.16307	0.7
184.07301	3.7
187.14784	0.7
195.13770	5.5
201.16357	0.7
213.14909	1.1
233.22626	0.6
243.21101	1.7
255.23160	0.7
261.22086	7.9
267.15826	1.2
269.17422	47.6
270.17746	1.2
300.33313	0.4
313.27356	0.4
317.24777	1.7
335.25732	52.4
336.26169	2.5
437.33810	0.9
455.35162	0.9
498.31183	0.6
519.36523	0.8
529.38794	100.0
530.39148	5.8
537.37408	0.6
547.39856	1.8
577.69263	0.6
597.48755	0.8
651.31335	0.4
726.44690	17.5
727.44769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.6
52.61368	0.6
53.03947	2.8
55.01859	2.1
55.05499	15.1
57.03144	0.8
57.03425	12.0
57.07067	3.0
59.04979	0.6
61.02912	5.0
63.69632	0.5
65.03922	2.9
65.75293	0.5
67.05489	62.2
69.03414	1.2
69.07054	17.0
69.61691	2.2
69.62125	2.7
71.04992	3.6
71.08617	1.4
73.02901	1.5
79.05476	39.2
80.05809	0.9
81.03428	2.9
81.07037	74.4
82.07388	0.7
83.04962	4.8
83.08600	11.1
85.02882	4.6
85.06522	2.9
86.09679	0.8
91.03960	2.6
91.05457	24.3
93.07023	52.4
94.07343	0.6
95.04950	5.7
95.08585	37.1
97.02885	3.2
97.06505	5.4
97.10144	2.6
99.08071	1.7
101.03435	0.6
105.04459	0.7
105.06999	13.9
107.04913	0.7
107.08566	29.3
109.06514	2.4
109.10131	13.6
111.08069	3.4
113.09605	0.7
117.06989	6.9
119.08540	9.1
121.06484	2.1
121.10119	18.2
123.08059	1.3
123.11683	7.0
125.09618	0.9
126.24339	0.5
127.52683	0.5
129.06892	0.7
131.08539	10.1
133.10098	13.5
134.10492	0.8
135.08003	1.1
135.11659	13.3
135.12631	1.0
137.09573	0.5
137.13223	1.1
145.10097	4.8
147.11681	3.7
149.09637	0.7
149.13229	12.3
150.13400	0.5
151.11188	1.9
159.11639	7.9
161.13255	3.1
163.14798	1.5
165.12653	0.6
167.14262	0.7
171.11746	0.7
173.13248	2.6
175.14912	0.9
177.05479	0.8
177.12721	2.5
184.07317	1.1
187.14806	1.7
193.13068	0.6
195.13753	8.9
213.14862	1.9
213.18311	0.6
229.14162	0.7
233.22668	0.8
243.21141	2.8
251.16321	0.7
255.23032	0.7
261.22092	8.4
267.15909	1.6
269.17416	69.0
270.17783	1.4
277.21689	0.7
299.23706	0.7
310.31302	0.6
317.24658	1.8
335.25723	96.2
336.26062	3.7
419.33234	1.0
437.33972	1.3
455.35062	1.0
467.37671	0.7
511.37750	0.8
519.36646	1.1
529.38770	100.0
530.38965	6.1
547.39691	2.6
597.48181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32158	0.1
55.01844	0.1
55.05487	0.2
56.05019	0.6
56.90242	0.1
58.06351	0.1
58.06611	0.3
59.07369	0.1
60.08152	6.2
60.59111	0.1
67.05476	0.4
69.07053	0.2
69.83784	0.7
70.06580	0.2
71.06985	0.2
71.07360	3.0
72.08092	0.1
75.29810	0.1
79.05470	0.2
81.07029	0.4
86.09689	31.6
87.10017	0.4
91.05479	0.2
93.07033	0.3
95.04958	0.1
95.08605	0.2
98.98448	2.8
104.10723	2.2
105.07024	0.2
106.46247	0.1
107.08583	0.2
109.10126	0.2
116.99493	0.1
119.08478	0.1
121.10069	0.1
124.99979	20.6
135.11659	0.1
143.01031	0.5
166.02675	0.2
184.07307	100.0
185.07654	1.5
186.07829	0.5
216.01970	0.1
216.17441	0.1
225.44391	0.1
231.61833	0.1
272.48160	0.1
367.71225	0.1
477.04807	0.1
518.32623	0.2
690.46106	0.4
726.43268	5.7
727.44275	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	726.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59965	0.1
52.80362	0.1
55.05481	0.1
56.05026	0.5
58.06616	0.5
59.07380	0.2
60.08154	5.8
67.05485	0.3
69.89367	0.1
70.06578	0.1
70.23805	0.2
70.24220	0.3
70.48428	0.1
71.07362	2.8
79.05470	0.3
81.07042	0.4
83.08589	0.1
85.02898	0.1
86.09691	29.4
87.09410	0.1
87.10009	0.3
91.05463	0.2
93.07059	0.4
95.04964	0.1
95.08579	0.3
98.98453	3.2
104.10726	2.0
105.06969	0.1
107.08565	0.3
109.06557	0.1
116.99515	0.1
121.10130	0.2
124.99982	19.9
126.00264	0.1
131.08551	0.1
133.10127	0.1
135.11575	0.1
143.01044	0.3
145.10217	0.1
149.98401	0.1
163.11276	0.1
166.02667	0.2
184.07312	100.0
184.37650	0.1
185.07684	0.9
216.85089	0.1
229.56204	0.1
253.07242	0.1
257.16418	0.1
386.05383	0.1
466.22147	0.1
544.87494	0.1
721.37689	0.1
726.43280	4.2
727.43658	0.3
757.33862	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	726.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.8
53.05814	1.7
55.01860	7.3
55.05500	43.3
55.58110	1.5
57.03157	2.3
57.03428	29.3
57.07054	2.3
58.51870	1.5
58.99452	1.6
59.04975	5.3
61.02901	6.4
65.03925	3.8
67.05494	95.9
69.03415	9.6
69.07062	12.4
69.93031	13.6
71.04971	8.0
73.02903	3.4
77.03906	2.0
79.05477	52.9
80.05796	1.9
81.03404	100.0
81.07043	59.5
82.03721	3.4
83.04962	28.0
83.08604	42.4
85.02886	44.6
85.06532	5.1
85.82935	2.0
86.09692	12.8
87.04445	8.5
91.03918	2.3
91.05467	57.6
93.07031	33.5
94.07336	2.1
95.04381	2.9
95.04951	40.2
95.08585	27.0
97.02871	9.7
97.06515	12.8
97.10149	23.0
99.04431	3.4
99.08078	4.2
105.03363	2.3
105.07019	29.5
106.07333	2.6
106.55134	1.9
107.04934	15.7
107.08571	25.6
109.02847	3.4
109.06493	9.8
109.10138	57.4
111.04417	6.3
111.08062	13.3
113.06020	1.9
115.05456	2.5
117.06989	6.6
119.04900	2.2
119.08557	32.6
120.08875	2.4
121.06487	6.9
121.10120	23.7
123.08021	6.4
123.11658	2.2
124.99955	5.0
125.09614	19.4
127.03867	6.3
129.05476	2.9
129.06973	14.9
131.08536	21.2
133.06468	5.6
133.10100	23.8
135.08072	3.1
135.11639	9.2
136.12029	2.4
137.05966	3.4
137.09579	7.9
139.11131	2.4
142.07793	3.5
143.08557	2.0
143.10614	2.6
145.02896	1.9
145.06522	2.5
145.10118	10.5
147.04373	2.3
147.08025	7.9
147.11667	20.9
149.09604	13.2
153.12762	2.5
155.10648	2.7
157.10126	18.1
163.11156	13.2
165.12729	4.8
167.06998	4.0
167.10628	3.2
173.09538	3.9
173.11702	16.5
175.11162	20.1
176.11571	2.5
177.05479	3.1
184.07318	37.7
191.10651	3.9
193.12225	55.6
194.12520	4.2
199.13286	8.2
209.11740	7.8
211.13258	73.6
212.13629	5.1
222.17958	1.6
227.12727	13.0
229.14293	61.4
230.14674	3.4
267.15857	59.1
268.16226	6.0
283.15311	11.1
284.15878	2.4
285.16928	64.5
286.17343	4.5
287.14969	17.4
301.16409	20.8
355.22235	2.2
363.65082	1.8
383.21649	2.5
401.22949	3.1
409.25797	5.5
414.17029	1.8
421.25732	16.5
427.26627	4.6
439.26822	53.5
440.27087	5.5
457.25827	3.9
459.27448	2.4
461.27899	5.3
475.26974	17.2
477.28320	3.8
479.26828	8.1
493.27948	12.2
510.28088	2.2
511.28961	22.4
529.29834	8.1
727.34741	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	726.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01862	5.1
55.05500	19.6
57.03428	17.7
57.07051	1.4
59.04982	1.4
61.02921	4.6
62.44578	0.8
65.03918	3.0
67.05491	43.2
68.84567	0.7
69.03412	8.0
69.07056	15.4
71.01328	1.5
71.04978	6.2
71.79478	1.6
73.02895	2.5
74.34578	0.8
79.05476	46.5
80.05837	1.0
81.03401	62.4
81.07039	51.3
82.03710	1.0
83.04487	1.6
83.04966	23.9
83.08606	25.7
85.02887	24.1
85.06516	3.3
86.09679	6.1
86.69913	0.8
87.04429	0.9
91.03929	2.3
91.05462	44.2
92.05794	1.0
93.07024	39.6
95.04952	30.2
95.08584	19.0
96.05320	0.8
97.02870	17.6
97.06502	9.2
97.10161	7.6
99.04420	3.7
99.08060	6.2
103.03915	1.5
103.05439	2.8
105.03361	3.2
105.04501	1.1
105.06305	1.7
105.07012	34.3
107.04937	15.3
107.08572	22.2
109.02841	4.3
109.06506	9.3
109.10130	11.3
111.04423	23.5
111.08042	9.2
113.05956	2.1
113.09665	0.9
114.91856	0.9
115.05421	3.4
117.07010	8.2
119.04910	3.3
119.08559	24.4
120.08059	1.7
121.02843	7.7
121.06486	6.2
121.10120	29.2
123.04400	3.4
123.08033	5.2
123.11662	5.9
124.99979	4.9
125.05936	3.0
125.09613	5.0
127.03887	5.9
127.07510	1.2
128.06186	1.4
129.05450	1.2
129.06964	13.8
130.07837	1.0
131.04897	2.2
131.08533	19.9
133.06454	7.7
133.10109	13.4
134.10434	0.9
135.04375	1.7
135.08012	3.8
135.11668	8.9
137.02327	8.3
137.05972	2.2
137.09567	2.9
139.07512	0.9
139.11131	3.8
142.07744	2.9
143.07063	0.8
143.08530	1.9
145.02797	1.8
145.04973	1.2
145.06422	2.4
145.10103	11.9
146.10338	0.9
147.04367	8.4
147.07986	6.3
147.11656	17.9
149.05946	1.4
149.09593	13.1
151.11139	2.5
154.08603	1.1
155.08530	1.8
157.10098	12.0
161.05942	9.0
161.09595	1.2
163.03918	4.1
163.07500	1.1
163.11140	11.9
165.09091	1.0
165.12701	4.0
167.07008	2.7
167.10684	2.8
171.11551	0.9
173.04324	1.0
173.09576	6.2
173.11757	1.9
173.13199	1.1
175.11154	15.1
176.11494	0.9
177.05431	2.1
181.12155	3.5
184.07318	22.2
185.11684	1.4
185.13217	1.1
187.11249	0.8
189.09064	1.2
189.11211	1.4
189.12643	1.8
191.06941	1.5
191.10652	13.9
193.08601	5.2
193.12207	38.6
194.12543	1.1
196.23753	1.0
199.11110	1.1
203.12668	1.8
207.13821	1.1
209.11690	100.0
210.12007	3.7
211.13254	53.7
211.44041	0.8
212.13660	1.3
217.12093	2.1
223.13329	1.3
225.61006	0.8
227.12726	28.3
229.14265	2.8
235.11145	1.0
235.13216	5.5
241.14326	7.2
245.13765	1.4
247.13182	1.2
249.14903	2.0
253.14211	1.2
256.09662	2.3
258.07590	1.4
258.11133	1.1
259.13040	1.1
259.15411	8.4
260.15659	1.0
265.14429	4.9
267.15860	30.2
268.16312	1.8
283.15338	49.9
284.15732	2.7
285.16934	38.9
286.17349	1.6
291.15765	1.3
301.16394	35.9
302.16742	2.7
309.16873	7.4
313.16302	1.7
319.11856	1.1
355.22430	2.1
365.21036	1.9
373.24054	1.0
383.21991	5.2
401.23077	5.5
402.23615	1.1
416.49811	1.0
419.24170	3.2
429.26230	2.9
433.25763	3.7
437.25940	1.3
447.27350	12.0
451.26755	7.6
457.25821	7.4
465.28381	1.7
475.26816	45.5
476.27353	5.9
493.27869	72.1
494.28293	9.1
511.28922	59.1
512.29266	6.2
529.30060	1.9
637.32037	1.1
676.33875	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.1
53.03928	0.1
63.02387	0.2
63.68800	0.1
65.03919	0.2
67.05489	0.3
69.03411	0.2
71.79692	0.2
79.05465	0.8
83.04968	0.9
83.05764	0.1
85.02879	0.3
89.03351	0.2
89.03896	3.9
93.03374	0.4
95.04950	0.7
99.00790	0.3
100.52989	0.1
107.04941	1.6
111.04430	1.3
117.03360	5.2
121.02857	0.2
123.04400	0.2
129.05444	0.7
135.04390	14.1
137.02306	0.3
139.03862	0.7
145.02824	10.5
146.03148	0.2
147.04396	0.1
155.34526	0.1
157.04919	0.4
163.03874	100.0
164.04196	1.9
175.05994	0.4
177.05461	0.1
181.04921	0.4
186.05432	0.2
193.07083	0.2
195.08118	0.1
205.06400	0.2
207.75441	0.1
208.25224	0.2
223.07520	0.4
231.06476	0.2
233.06033	0.2
249.05464	0.2
251.07048	0.6
255.06395	0.2
261.05386	0.2
269.08041	0.4
273.06015	0.9
279.06552	1.1
283.05899	0.4
295.06116	0.4
296.06308	0.3
297.07416	1.0
307.06012	0.3
319.08017	0.6
325.07050	1.2
337.09100	2.1
343.07724	0.3
355.10248	2.5
372.03717	0.3
373.73050	0.1
447.11099	1.0
493.71143	0.2
499.12268	4.7
517.13153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01853	4.4
55.05497	28.0
56.65187	1.2
57.03425	18.1
57.07053	3.1
65.03924	4.5
67.05490	71.2
68.05827	2.6
69.03411	8.0
69.07052	18.1
71.04980	7.0
71.08594	2.1
79.05477	52.3
81.03398	62.2
81.07039	70.2
82.03710	1.7
82.07342	2.5
83.04479	2.2
83.04956	19.3
83.08602	25.2
84.62118	1.4
85.02890	19.1
85.06534	2.5
86.03194	1.7
86.09693	2.3
91.05462	42.9
93.07025	57.5
94.07365	1.9
95.04944	25.5
95.08583	43.4
96.08931	3.1
96.25925	1.5
97.02899	7.1
97.06533	4.9
97.10159	8.1
98.03229	1.6
99.04462	1.7
99.08089	2.6
105.07010	30.5
107.04937	5.5
107.08570	29.1
108.08920	1.8
109.02870	3.9
109.06494	5.3
109.10126	17.9
111.04436	4.4
111.08051	10.0
113.05938	2.9
113.09669	1.3
115.05418	2.4
117.06980	8.1
119.08563	27.8
121.06442	1.9
121.10119	24.0
122.10488	1.7
123.08056	4.2
123.11691	5.4
125.00000	1.9
125.09613	3.3
127.03882	2.5
129.05476	2.0
129.06963	10.4
131.08539	17.4
132.08873	2.0
133.06465	2.2
133.10085	17.5
135.08044	1.7
135.11674	11.3
137.09581	2.7
142.07776	3.4
143.08514	2.7
145.10086	11.4
147.08063	2.3
147.11671	14.2
148.12041	1.8
149.09619	5.8
149.13261	6.5
157.10136	11.6
158.10451	1.6
159.11676	5.8
161.13268	3.9
163.11160	2.7
163.14818	2.1
165.12769	3.3
166.65155	1.5
166.66660	1.2
171.11597	1.8
173.13269	5.1
175.11176	10.1
175.14847	2.2
184.07285	8.9
185.07629	1.9
186.96049	1.3
187.14693	2.1
193.12199	39.5
194.12624	2.5
211.13248	54.1
212.13557	3.4
227.12743	2.7
229.14346	2.5
229.73537	1.4
243.21016	3.7
261.22083	13.4
262.22452	2.0
267.15860	16.9
283.15594	1.8
285.16913	48.0
285.21854	2.0
286.17249	2.6
317.24713	2.8
335.25735	89.9
336.26126	12.3
353.26904	1.5
429.21255	5.1
430.21460	3.6
435.32611	1.8
453.33307	2.3
527.37402	10.2
528.37732	4.4
545.38239	100.0
546.38586	23.6
563.39441	2.2
564.60980	1.5
689.43213	2.6
690.42822	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01858	3.8
55.05501	19.2
57.03427	20.3
57.07057	3.6
61.02914	4.5
65.03931	3.4
67.05492	71.6
68.05818	1.0
69.03415	4.3
69.07056	17.0
69.94778	6.6
71.01312	1.0
71.04984	4.6
71.08605	1.3
79.05479	50.0
81.03403	91.0
81.07041	69.4
81.07755	1.3
82.07395	1.2
83.04976	6.9
83.08604	22.0
85.02896	5.5
85.06530	3.8
91.03941	1.7
91.05461	38.0
92.05801	1.2
93.07025	53.1
94.07348	1.1
95.04954	33.7
95.08588	46.8
95.20982	0.9
97.02876	4.3
97.06524	5.8
97.10149	7.7
98.21449	1.3
99.04453	1.1
99.08092	1.5
100.80881	0.8
103.05498	0.9
104.07140	0.9
105.07008	28.4
107.04938	8.2
107.08569	30.1
109.06507	5.3
109.10136	21.7
111.04423	1.6
111.08064	8.4
113.00018	2.4
115.05434	1.5
117.07000	9.3
119.08557	24.9
121.06503	2.9
121.10126	23.5
121.10954	1.7
123.04440	1.6
123.08042	4.1
123.11674	7.1
125.09631	4.1
129.06982	10.5
130.07735	1.0
131.08534	16.9
133.06467	3.9
133.10104	15.1
135.08008	1.6
135.11658	13.7
136.12004	1.1
137.09605	3.3
137.13243	1.6
142.07770	1.8
143.08530	2.8
145.06526	1.7
145.10100	8.6
147.08023	3.1
147.11656	12.6
149.09602	4.7
149.13222	8.7
151.11211	1.7
157.10089	10.8
159.11690	7.3
161.13229	5.6
163.11153	3.0
163.14787	4.0
165.12747	1.7
169.02672	1.3
171.11708	1.8
173.13271	6.8
175.11148	9.0
175.14874	1.9
177.12675	1.2
177.16383	1.4
179.14395	0.9
185.13176	1.1
186.70262	0.9
187.14769	2.3
189.11212	2.9
191.14336	1.0
193.12202	22.2
199.14740	1.6
207.13892	1.1
211.13245	1.3
219.13896	1.3
227.12766	4.4
233.79175	1.2
235.13298	2.8
237.14853	1.3
243.21074	6.4
249.14873	2.2
259.13275	1.4
261.22113	20.4
267.15860	95.6
268.16290	3.3
273.14917	1.5
279.19775	1.2
279.23059	1.9
296.36682	1.0
299.23587	1.3
301.14197	1.6
301.25165	5.2
309.16953	3.9
317.24768	4.8
335.25739	100.0
336.26263	3.5
375.17508	1.1
421.25830	1.8
435.27274	1.6
435.32590	3.4
453.33530	6.3
471.34470	2.2
527.37213	52.1
528.37311	2.6
544.40619	1.4
545.38312	28.5
546.38391	1.5
569.38190	6.1
595.47205	25.5
596.47058	1.5
635.39087	1.2
671.41241	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93693	0.4
55.01861	2.7
55.05502	12.6
56.81140	0.4
57.03427	13.8
59.04977	0.6
61.02922	0.7
65.03924	1.2
66.88124	0.4
67.05492	18.3
69.03419	2.7
69.07049	3.6
70.99890	1.2
71.01337	0.9
71.04973	3.5
73.45885	0.4
79.05482	17.7
80.05834	0.5
81.03403	84.3
81.07041	18.5
81.58458	0.4
82.03769	0.9
83.04962	9.4
83.08604	22.0
85.02888	12.3
85.06530	1.1
87.04476	0.6
87.39436	0.4
91.05465	20.8
92.05784	0.5
93.03423	0.5
93.06541	0.3
93.07024	12.0
95.04951	29.6
95.08590	8.1
97.02889	3.5
97.06527	2.8
97.10154	5.5
97.73779	0.4
99.04456	0.5
99.08094	0.9
105.06306	0.9
105.07013	18.1
106.07361	0.5
107.04935	9.2
107.08569	7.7
109.02858	0.5
109.06503	4.3
109.10146	4.4
111.04422	2.4
111.08068	8.9
113.05992	1.3
115.05437	1.4
117.06968	2.6
119.04903	0.5
119.07709	0.8
119.08562	15.7
121.06498	4.4
121.10127	7.4
123.04421	0.8
123.08046	2.8
123.11664	0.8
125.09618	3.9
127.03872	0.5
127.07571	0.4
128.06154	0.8
129.06982	12.0
131.04906	0.9
131.08548	11.2
133.06439	3.7
133.10120	8.0
134.10445	0.4
135.08038	1.3
135.11678	1.1
137.05922	0.4
137.09596	2.3
137.13298	0.5
141.06940	0.5
142.07721	2.5
143.08553	1.4
145.06482	4.9
145.10094	3.1
147.08011	4.2
147.11656	12.2
147.12840	0.7
148.11966	0.6
149.09587	5.2
155.08516	1.3
157.06477	1.2
157.10104	12.3
159.08038	0.8
161.05949	0.7
161.09601	0.9
163.11180	2.1
165.12701	2.5
167.76083	0.4
169.10132	1.1
171.08003	0.9
171.11659	0.9
173.09694	0.8
173.11644	0.4
175.11166	13.5
183.07918	0.6
185.09598	0.6
185.13206	0.7
187.11183	0.8
189.11185	2.2
189.12732	1.1
191.10690	0.4
193.12207	35.0
194.12563	1.3
195.11678	1.2
197.09547	0.6
197.13284	0.9
199.11223	0.6
204.87666	0.4
205.12251	0.7
211.11226	0.7
211.13249	14.9
213.12740	0.4
215.14348	0.9
217.12224	0.5
223.11232	0.4
225.12646	0.6
227.12657	1.0
229.14342	1.1
231.13690	0.6
233.15292	1.0
235.13277	0.7
237.12724	1.1
249.14783	2.6
255.13780	1.9
267.15866	100.0
268.16235	5.5
273.14780	4.1
285.16901	11.7
287.16592	0.5
301.14108	0.5
321.22507	0.5
323.19504	0.5
339.23221	0.6
341.21109	1.0
349.21664	2.7
357.24066	0.9
367.22589	7.3
368.23022	0.5
385.23630	9.3
386.24033	1.0
403.24673	2.8
405.24261	0.9
415.24655	0.5
433.25815	14.2
434.26157	1.2
441.26251	5.3
442.26920	0.6
459.27353	69.3
460.27692	8.1
477.28391	41.0
478.28717	4.8
491.30161	1.0
501.28238	0.6
519.29041	1.0
519.54883	0.4
555.25977	0.4
603.30908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01860	11.4
55.05501	32.2
57.03426	24.2
57.07063	2.3
59.04982	2.9
61.02908	6.0
65.03927	4.3
67.05492	60.9
68.05836	1.3
69.03418	8.3
69.07053	16.2
70.94432	3.8
71.01329	2.2
71.04985	12.1
71.75167	1.2
73.02890	3.7
79.05478	64.1
80.05811	2.6
81.03404	96.1
81.07040	73.2
82.03727	2.1
82.07349	1.4
83.01324	3.5
83.04494	1.9
83.04966	34.9
83.08606	37.0
85.02893	33.2
85.06527	6.0
86.09670	4.0
87.04427	2.3
90.93219	1.2
91.05464	77.4
92.05798	1.2
93.06418	1.4
93.07025	51.7
95.04949	56.8
95.08587	28.9
96.05235	1.4
96.08916	1.3
97.02877	17.4
97.06513	13.8
97.10151	13.0
99.04438	4.8
99.08070	5.2
103.05464	1.5
105.03385	3.4
105.04521	1.2
105.07008	52.7
106.07365	1.7
107.04932	24.2
107.08572	30.5
109.02872	5.8
109.06499	18.0
109.10136	16.4
110.06851	1.2
111.04423	13.3
111.08062	16.9
111.11713	1.3
113.05994	4.2
115.05428	3.1
117.06984	11.4
119.04897	2.0
119.08559	42.7
120.48402	1.1
121.02858	2.7
121.06457	7.6
121.10120	29.0
123.04406	5.3
123.08037	9.6
123.11654	8.2
124.99982	1.6
125.05969	3.3
125.09611	12.4
127.03901	5.0
127.07629	1.3
128.06192	1.7
129.05452	4.2
129.06975	23.7
131.08542	26.8
133.06482	6.1
133.10101	35.8
135.08041	8.0
135.11674	14.7
136.62263	1.3
137.02301	1.5
137.05968	2.6
137.09616	6.1
140.57552	1.2
142.07736	6.1
143.08540	3.2
145.04993	1.7
145.06453	4.7
145.10103	24.4
145.44418	1.1
147.04384	4.2
147.08038	9.2
147.11656	33.1
149.09583	15.2
149.13319	1.8
151.03947	1.4
151.11147	8.9
153.12741	3.7
155.08585	2.2
157.08777	1.5
157.10086	22.1
159.08069	1.6
161.09598	3.4
163.11140	23.2
164.11523	1.8
165.12753	9.3
167.06984	5.2
167.10699	1.5
171.08035	1.5
171.11603	2.3
173.09592	8.4
173.11707	3.3
175.11154	25.3
177.05447	3.6
177.12645	1.3
179.10663	1.9
181.08588	2.6
181.12186	5.3
184.07341	7.5
187.11186	1.5
189.11250	2.9
191.10619	6.1
193.12202	52.9
199.11409	1.4
199.13310	2.3
201.09125	4.7
207.09935	1.3
207.11716	1.2
207.13750	1.6
209.11678	24.7
209.13506	2.0
210.11952	1.6
211.13252	53.5
212.13588	1.5
225.11179	1.5
227.12724	19.4
229.14291	11.0
233.11732	3.6
241.14320	2.6
249.14838	1.4
253.14206	2.1
265.14301	2.9
267.15866	100.0
268.16217	4.6
273.14798	2.4
281.13965	1.4
283.15369	54.7
284.15689	4.1
285.16907	66.7
286.17307	3.0
299.14874	6.6
299.18484	4.4
301.16464	23.3
317.15866	3.4
337.16360	1.6
339.23108	1.5
339.75116	1.3
349.21368	1.6
367.22610	4.9
385.23679	7.8
403.24823	5.5
407.24066	1.4
411.20016	4.5
417.22409	1.8
421.25690	2.1
425.25336	1.7
431.27887	1.5
433.25806	3.1
437.25189	6.3
439.26767	1.5
441.26443	2.4
449.25253	3.0
450.19870	1.4
459.27341	63.6
460.27682	4.3
473.25299	2.3
474.25705	1.8
476.27374	1.8
477.28381	79.4
478.28592	4.1
491.26025	21.4
492.26721	2.4
495.29443	41.2
496.29565	2.8
509.26385	30.2
510.28012	3.5
527.28564	8.5
585.29822	1.3
603.31256	3.7
621.32538	6.8
639.33655	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	723.43
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.6
53.03944	3.5
55.01856	4.1
55.05503	20.4
57.03428	9.7
57.07066	3.2
61.02916	4.9
65.03917	2.0
67.05493	43.0
69.03416	5.1
69.07058	14.8
71.04982	6.5
71.39845	4.1
79.05479	30.5
79.86140	1.7
81.03404	17.5
81.07043	43.2
83.04968	8.9
83.08604	13.8
85.02895	7.9
85.06523	3.8
86.09675	2.1
91.05464	36.6
93.07030	30.3
95.04949	12.8
95.08591	25.3
97.02894	4.0
97.06525	7.3
97.10150	10.7
99.04401	1.7
99.08096	2.9
104.63165	1.7
105.03406	3.4
105.07008	31.5
107.04950	5.5
107.08571	19.0
109.06519	4.5
109.10142	17.5
111.04456	2.6
111.06683	1.6
111.08073	4.2
115.05457	3.4
117.06998	18.5
119.08547	23.3
121.02870	1.7
121.06506	2.7
121.10123	12.0
123.08040	2.8
123.11703	2.0
125.09600	5.4
127.03941	2.2
128.06238	3.7
129.05515	1.9
129.07005	17.2
129.94537	1.7
131.08543	28.3
133.06400	1.7
133.10097	20.5
135.08037	4.4
135.11639	10.0
137.09575	3.5
137.39616	1.6
141.06978	6.0
142.07767	2.6
143.08537	16.9
145.06406	2.1
145.10100	19.3
147.08064	2.5
147.11691	12.1
149.09612	2.4
149.13275	3.3
151.11121	2.3
155.08540	11.7
155.10555	1.7
157.10121	17.4
159.11684	13.4
161.13269	5.2
163.11096	2.6
163.14836	1.9
165.06981	2.5
165.12769	2.1
167.08582	5.9
167.11024	1.8
168.09386	2.1
169.10074	11.5
171.08029	2.2
171.11652	13.2
173.09590	1.9
173.11816	3.2
173.13261	5.6
175.11198	4.5
175.14771	2.9
179.08534	2.7
179.10327	1.6
181.10132	7.5
183.11691	10.5
185.13213	8.2
187.14809	3.6
189.11201	2.3
193.10275	2.4
193.12238	8.9
195.11664	7.1
197.13261	7.6
199.14806	5.4
209.13283	6.5
211.11458	2.1
211.13246	5.8
211.14960	3.5
213.16496	1.7
219.11761	3.1
221.13239	3.2
223.14864	4.1
225.16405	2.5
227.12701	3.3
229.14319	6.2
233.13164	3.1
235.14764	2.3
237.16434	3.0
241.19550	3.8
249.16353	2.0
259.20425	8.2
263.18039	1.6
267.15958	4.9
275.20151	1.8
285.17007	6.1
297.22156	4.1
315.23306	2.7
333.24460	7.9
344.27228	1.8
345.24393	1.9
353.25058	1.6
371.25577	1.8
415.29901	2.0
423.32529	2.7
433.30878	13.2
445.29596	2.4
451.32007	9.8
469.33221	6.5
485.32428	2.4
487.34442	3.1
507.34625	6.5
515.37482	3.3
517.35107	4.9
525.35614	45.1
525.43500	2.2
526.35724	5.5
543.36743	100.0
544.36963	5.8
561.37878	30.7
562.38141	2.1
689.29102	1.9
705.41168	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01860	4.1
55.05498	8.6
57.03145	0.5
57.03423	8.5
57.07057	0.5
59.04984	1.3
61.02898	0.7
65.03915	0.3
67.05126	0.6
67.05488	9.7
69.03410	1.7
69.07049	3.0
71.01341	0.3
71.04977	1.7
79.05479	12.1
81.03400	35.8
81.07036	11.1
82.03725	0.4
83.01323	3.0
83.04961	5.8
83.08598	11.2
85.02881	2.3
85.06532	0.8
85.10470	0.3
91.05461	10.3
92.05783	0.4
92.49927	0.3
93.07025	12.0
95.01277	0.3
95.04949	10.9
95.08587	5.3
97.02863	2.2
97.06505	2.8
97.10152	4.9
99.04426	0.9
105.07014	8.1
107.04933	7.0
107.08572	8.0
107.09301	0.3
109.02866	1.0
109.06502	3.5
109.10153	3.0
111.04429	1.8
111.08065	2.7
111.11671	0.3
113.05968	0.5
115.05426	1.0
117.06993	3.8
119.04867	0.7
119.08556	7.5
121.02866	0.6
121.06483	3.3
121.10124	5.3
123.04396	1.1
123.08034	3.7
125.02325	0.4
125.05964	0.6
125.09609	3.4
129.06964	4.1
130.80853	0.3
131.04909	0.9
131.08549	5.1
133.06477	1.9
133.10092	2.2
135.04378	0.4
135.08020	1.6
135.11662	5.5
137.05975	0.8
137.09584	0.9
139.07516	0.4
141.06935	0.6
142.07764	0.7
143.08536	1.2
143.10658	0.4
145.06485	2.0
145.10106	6.5
147.04402	0.9
147.08037	2.7
147.11653	2.6
149.09586	2.1
153.09125	0.8
153.12698	1.2
155.08496	1.6
157.06444	0.5
157.10086	4.0
159.08080	0.8
159.11679	0.6
161.05928	2.4
161.09610	0.6
163.07550	0.5
163.11154	8.6
165.09039	0.3
165.12679	0.6
167.08586	0.4
169.10078	0.9
171.08023	0.7
171.11621	0.4
173.06030	0.4
173.09583	2.3
175.07484	0.5
175.11143	3.5
181.12236	1.2
183.07939	0.3
183.11687	0.5
185.09567	0.6
185.13345	0.5
187.07436	0.3
187.11177	0.6
189.09195	0.7
189.11218	1.5
191.10593	1.6
193.12195	8.8
195.11708	0.6
199.11066	0.5
201.12769	0.3
203.14346	0.6
205.12215	0.8
207.11923	0.3
209.09972	0.4
209.11639	1.8
211.11275	0.5
211.13313	0.7
213.12790	0.6
223.11177	0.4
223.13217	0.5
225.12738	0.6
227.12703	2.2
231.13603	1.6
235.11047	0.4
237.12906	0.4
239.12627	0.3
243.13867	0.8
249.14859	1.1
255.13982	0.4
259.13394	0.3
265.14304	0.6
267.15863	22.1
268.16199	0.4
269.15302	0.8
271.13220	1.0
273.14841	1.6
283.15335	18.0
284.15970	0.5
287.16437	0.4
289.14301	2.6
303.15768	0.5
309.17001	0.6
319.88757	0.3
337.21542	0.9
347.19748	0.3
355.22595	1.8
365.21072	3.4
373.23749	0.4
379.65958	0.3
383.22098	13.1
384.22568	0.7
401.23163	5.3
402.23819	0.4
403.22726	0.4
407.24225	0.4
419.24438	1.8
421.23810	0.5
431.24173	1.1
439.24759	1.3
457.25775	21.4
458.26080	1.3
475.26834	100.0
476.27136	6.1
493.27832	8.6
494.28543	0.4
499.27032	0.5
517.27771	1.5
554.15546	0.3
558.58099	0.4
571.29041	0.6
583.29156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
55.01862	1.2
55.05498	14.6
57.03420	5.9
57.07055	3.1
58.29159	1.0
65.03902	1.5
67.05492	51.3
68.72768	1.0
69.03407	1.4
69.07050	10.7
70.50272	2.0
70.50677	1.7
71.04976	2.0
72.23256	1.0
79.05476	55.3
80.05852	0.9
81.03409	6.1
81.07040	44.8
83.04973	8.0
83.08585	6.5
84.08106	1.0
85.02903	1.2
85.06517	1.7
86.09695	1.1
91.05462	36.2
93.07026	53.6
95.04952	13.4
95.08582	28.9
97.06520	2.8
97.10157	3.6
99.08077	1.4
105.07014	26.5
107.04943	2.5
107.08570	16.7
109.06490	4.2
109.10149	8.8
111.08052	1.5
113.09618	1.1
115.05445	1.1
117.06998	9.2
119.08548	16.8
121.06519	1.4
121.10123	10.3
123.08025	3.2
123.11709	2.4
124.80688	0.9
124.99996	1.0
128.06136	1.1
129.06982	9.2
131.08553	5.9
133.10097	8.1
135.11652	5.9
143.08522	4.9
145.10091	7.2
147.07991	1.2
147.11667	23.9
147.12823	1.2
149.09584	1.2
149.13286	2.2
159.11696	3.2
161.09602	2.0
161.13257	5.3
163.14824	1.5
169.10121	1.3
171.11644	13.0
173.13278	1.6
184.07309	2.0
189.12692	5.3
207.11922	1.0
207.13757	15.1
243.21065	2.2
261.22083	5.4
279.15723	2.0
281.17435	35.1
282.17764	1.3
317.24545	1.6
335.25729	48.1
336.26151	1.3
355.14700	1.0
541.38800	100.0
542.39221	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	721.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.8
53.03928	7.5
55.01863	14.1
55.05267	2.3
55.05502	34.8
57.03434	16.5
57.07060	3.3
59.04969	2.2
59.11959	1.9
61.02918	3.9
62.56200	1.6
65.03916	5.4
67.05123	3.5
67.05492	66.2
69.03417	30.9
69.07056	22.2
71.01324	2.4
71.04979	14.1
71.08599	3.8
71.81010	1.5
71.81450	3.0
79.05476	61.5
81.03403	100.0
81.07040	78.7
81.07529	3.3
82.07380	2.5
83.04964	27.2
83.08598	28.8
85.02891	21.1
85.06509	5.3
91.03916	2.4
91.05460	67.0
93.07026	57.7
95.04945	31.9
95.08588	37.0
97.02878	23.7
97.06514	16.6
97.10149	11.6
99.04439	9.0
99.08061	4.1
105.03394	3.1
105.04531	2.5
105.07007	58.9
107.04948	17.0
107.08568	35.7
109.02850	13.8
109.06500	13.1
109.10133	21.9
111.04428	8.6
111.08069	12.6
113.06001	3.6
115.05390	3.7
115.07504	1.8
116.06262	1.8
117.06988	23.3
119.08559	42.3
121.02863	3.3
121.06487	10.5
121.10104	23.7
123.04443	2.7
123.08051	12.5
123.11670	8.8
125.05933	2.9
125.09595	8.3
127.03876	12.6
127.07580	1.9
128.06137	4.0
129.05440	3.9
129.06978	18.0
131.04951	3.5
131.08543	38.4
133.06467	8.8
133.09158	2.7
133.10107	33.3
135.04391	2.4
135.07999	11.5
135.11664	10.0
137.09572	6.6
139.11166	1.9
141.06912	3.3
141.68295	1.9
142.07782	3.6
143.08533	12.5
145.06439	5.1
145.10089	20.1
147.07996	8.1
147.11647	27.9
149.09578	15.9
149.13206	7.3
151.11139	4.4
153.12732	3.0
155.08510	6.0
155.85376	2.1
156.09242	2.9
157.06468	2.3
157.10101	18.3
159.08086	3.7
159.11655	17.7
161.09593	3.6
161.13269	5.8
163.03844	2.3
163.11180	10.5
165.12720	6.9
167.08482	2.8
169.10080	8.9
171.11636	6.3
173.04437	27.0
173.09563	4.2
173.11821	2.8
173.13237	9.8
175.11159	11.3
177.12695	4.1
179.08559	2.1
179.14227	2.0
181.10124	3.4
181.12079	3.3
183.11647	5.7
184.07233	2.7
185.09657	3.7
185.13248	2.4
187.07791	2.0
187.11192	4.6
187.14764	3.7
189.11214	4.8
191.10684	2.0
193.12230	23.6
195.11812	4.4
195.13719	2.8
197.09607	2.4
197.13197	4.7
207.11653	2.2
211.13206	38.7
213.12770	2.5
217.12366	1.9
227.10738	2.6
227.12770	8.3
229.14212	4.1
229.19392	2.6
231.02869	1.8
239.17944	3.2
247.20587	4.9
247.98952	1.9
253.19514	2.1
257.18918	9.0
259.20599	2.5
267.15817	23.8
269.17465	4.2
273.18588	1.9
275.20044	56.1
283.15289	2.7
285.16855	20.9
291.19437	2.7
293.21106	6.6
299.19891	3.7
313.21774	3.4
317.21124	2.7
321.16931	1.9
327.30386	1.9
331.22604	3.2
341.21082	2.8
349.23679	24.4
351.23053	2.6
355.17429	2.4
373.23798	2.2
401.23267	2.7
411.19650	3.1
419.24020	2.6
429.21027	7.5
437.39777	1.9
443.27545	2.2
461.28906	6.8
461.40659	2.0
467.31323	3.5
475.26941	2.3
479.29932	5.5
485.32672	2.4
493.28433	2.4
501.31638	2.4
523.33905	4.8
531.36560	4.0
535.56427	1.9
541.35095	37.1
559.27295	1.7
559.36139	36.8
577.36926	5.3
623.34155	3.7
649.36981	2.7
667.37842	2.1
685.39014	5.2
703.40625	22.3
721.41895	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	721.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01863	8.6
55.05502	23.7
57.03429	5.6
57.07066	2.5
59.04987	1.3
61.02922	7.8
65.03929	1.9
67.05496	34.2
68.05830	1.8
69.03416	6.7
69.07057	11.2
70.06570	1.5
71.04981	3.7
73.02911	3.1
77.09473	0.9
79.05481	23.9
79.05917	2.0
81.03404	12.9
81.07044	29.5
83.04977	8.7
83.08608	15.4
85.02888	7.7
85.06525	2.0
91.03927	3.6
91.05470	25.8
93.07031	26.2
94.59448	1.0
95.04957	10.1
95.08598	14.3
97.02879	7.5
97.06526	3.5
97.10158	21.2
98.21484	2.1
99.04476	2.3
103.05504	1.2
105.07014	26.8
107.04958	3.3
107.08580	18.3
108.08908	1.4
109.02855	1.8
109.06511	4.5
109.10149	9.7
111.04414	2.1
111.08092	3.4
115.05470	2.0
117.06998	15.0
119.08567	21.5
121.06461	2.5
121.10122	7.4
123.08047	2.6
123.11663	2.0
124.36391	1.1
124.99985	1.3
125.09604	14.8
127.03914	3.1
128.06224	1.6
129.06990	12.2
131.08543	19.3
133.06453	1.8
133.10121	11.3
135.08051	4.9
135.11664	6.6
137.09645	1.9
141.06972	4.1
142.07773	2.5
143.08548	14.7
145.06444	2.2
145.10109	15.3
147.08084	1.3
147.11658	7.8
149.02315	1.5
149.09592	3.8
149.13251	2.1
153.07028	1.4
153.09058	1.5
153.12590	1.2
155.08519	6.3
157.06496	1.3
157.10114	12.3
159.08069	1.3
159.11664	11.9
161.09622	2.7
161.13246	4.0
163.11176	3.7
165.07056	1.3
167.08562	3.2
168.09283	1.5
169.10094	6.6
170.72983	1.0
171.08022	1.7
171.11650	10.4
173.09612	1.8
173.13226	6.2
175.11191	3.7
175.14810	2.0
179.14206	1.9
181.10080	4.1
182.10930	1.5
183.11674	6.5
184.07310	5.7
185.09598	2.0
185.13231	8.2
185.52293	1.1
187.11212	1.9
187.14882	2.5
189.11240	8.5
189.12727	1.5
193.04938	1.9
193.10222	1.6
193.12326	3.0
195.11664	4.9
195.13321	0.9
197.13229	6.8
199.11203	1.6
199.14824	3.7
207.11688	2.4
209.09819	1.1
209.13309	3.8
211.11267	1.3
211.13144	2.6
211.14926	2.1
213.12834	1.4
213.16411	1.8
223.14824	2.9
227.12698	14.6
227.14766	1.4
230.23882	1.3
233.13441	1.4
235.14806	1.7
237.16380	1.7
239.17949	1.3
241.19522	2.3
245.13890	1.3
256.26456	2.8
257.18918	3.2
259.20599	4.5
263.17984	1.4
267.15884	2.3
269.22510	1.1
271.20801	1.5
275.20081	7.2
283.15509	3.9
291.19589	1.2
295.20538	1.3
297.22070	11.4
299.20099	1.4
305.19299	1.5
313.21527	1.9
315.23169	6.6
333.24396	1.4
341.21017	1.4
349.23709	4.0
353.24576	1.2
421.30951	1.6
429.20618	1.9
431.29434	5.1
439.31982	1.2
449.30206	8.4
457.32974	1.4
467.31601	7.6
485.32581	6.0
490.35596	1.7
501.22516	1.5
513.35480	3.2
523.34106	13.1
524.34357	1.3
529.22168	2.4
531.36267	1.7
537.21515	1.1
541.35187	100.0
542.35626	7.8
559.36212	54.2
560.36505	3.7
580.39075	1.4
685.39813	2.9
703.40436	11.1
704.41052	1.5
721.37500	6.6
721.56970	4.9
735.36224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03930	6.1
55.01865	26.5
55.05503	20.7
57.03431	9.8
57.07066	1.3
59.04979	1.8
65.03934	3.8
67.05492	45.1
69.03413	12.2
69.07054	29.1
71.04977	5.5
71.08609	1.6
73.02921	1.2
79.05020	1.2
79.05486	41.4
81.03403	62.0
81.07042	63.5
83.04961	17.4
83.08607	18.8
83.09073	2.2
85.02898	10.8
85.06538	4.6
85.58965	1.1
91.05463	63.9
93.07028	39.5
95.01326	8.8
95.04951	27.9
95.08594	33.2
97.02885	14.6
97.06511	44.3
97.10171	5.1
99.04445	5.5
99.08112	1.4
103.05479	2.8
105.07013	72.5
107.04940	20.8
107.08582	18.7
109.02863	7.8
109.06494	7.4
109.10136	10.6
111.04398	9.3
111.08073	7.7
112.07591	1.8
113.05974	2.7
115.05449	2.2
117.06995	12.5
119.08566	41.5
121.06497	4.9
121.10119	11.4
123.04376	2.6
123.08049	4.9
123.11710	2.3
125.09626	2.7
127.03906	5.0
129.05499	2.7
129.06989	10.2
131.04871	1.6
131.08546	25.0
133.06459	3.2
133.10106	44.4
135.08028	4.6
135.11665	8.5
137.09595	3.0
139.07469	1.7
141.06970	2.5
142.07796	1.6
143.08566	4.1
145.06477	3.0
145.10112	18.7
147.08055	3.2
147.11673	20.4
149.09604	9.7
149.13254	4.9
151.11166	3.5
153.12735	2.4
155.08572	2.3
157.10115	10.7
159.07988	1.5
159.11690	12.2
161.13255	5.2
163.03935	1.3
163.11099	5.9
165.09094	2.6
165.12730	3.6
169.10139	3.5
171.11691	4.0
173.04480	2.0
173.13252	3.5
175.11172	9.8
177.12767	4.2
179.14290	12.9
181.12234	2.3
183.11685	1.8
187.11165	3.8
191.10648	2.1
193.12195	22.8
197.13281	3.1
211.13240	27.2
211.15042	2.0
219.17357	11.6
227.12819	3.6
229.14275	2.0
229.19527	1.4
239.17833	1.9
247.20589	2.2
257.18942	9.3
257.89606	1.2
267.15839	16.4
267.18427	1.6
273.18698	1.3
275.20026	100.0
276.20401	1.7
279.16025	3.0
285.16962	7.2
291.19443	1.6
293.21005	8.7
324.23120	1.4
349.23700	44.4
355.17535	3.6
374.43710	1.4
411.20099	5.7
429.21158	26.7
452.48965	1.3
456.22452	1.3
501.22495	1.4
541.35199	64.0
542.35358	2.4
559.28131	0.9
559.36182	26.8
685.38635	2.1
703.40356	63.9
704.40814	2.3
721.40393	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	721.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.3
53.03930	7.3
55.01862	24.1
55.05230	1.2
55.05500	23.6
57.03421	13.3
61.02911	1.1
63.91727	0.9
65.03925	2.8
67.05123	2.4
67.05489	47.9
69.03416	17.7
69.07054	33.8
71.04980	7.6
71.08572	1.2
71.78922	1.9
72.83531	1.1
73.02906	1.7
76.84376	1.1
79.05477	39.6
81.03404	72.2
81.07040	60.9
81.07529	2.6
83.04961	22.4
83.08155	1.7
83.08606	23.5
84.99319	1.2
85.02896	11.2
85.06554	2.8
91.05461	63.4
93.06425	1.4
93.07024	40.7
95.01294	7.2
95.04952	28.3
95.08587	30.8
97.02878	18.1
97.06512	44.4
97.10144	6.8
99.04426	2.6
99.08061	3.3
103.05433	2.1
104.40017	1.1
105.07011	76.4
107.04931	21.0
107.08564	20.1
109.02875	9.0
109.06496	7.0
109.10123	10.3
111.04430	8.8
111.08063	11.5
113.09596	1.7
115.05441	2.2
117.06987	14.7
119.08553	43.3
121.06493	4.6
121.10129	13.9
123.04384	2.8
123.08025	3.2
123.11678	2.7
125.09605	3.7
127.03868	6.9
129.05489	2.8
129.06996	9.7
131.04941	1.7
131.08546	27.5
133.06519	2.1
133.10104	46.0
135.08006	5.4
135.11699	8.2
137.09569	3.4
139.07532	3.3
141.07025	2.5
142.07750	3.5
143.08528	4.9
145.06474	2.6
145.10089	18.0
147.08015	3.3
147.11661	24.0
149.09576	12.6
149.13242	2.8
151.11128	1.8
153.12741	1.5
155.08495	2.4
157.10085	12.2
159.11661	13.0
161.09613	2.2
161.13216	5.8
163.03751	1.5
163.11157	10.0
165.09070	1.7
165.12720	3.9
169.10104	2.6
171.11636	3.8
173.04456	2.0
173.09590	1.3
173.13210	5.4
175.11148	11.2
177.12704	4.1
179.14276	14.4
181.12210	2.9
183.11606	3.3
185.13335	1.5
187.11108	3.3
191.10623	1.6
193.12204	30.9
205.12256	1.7
211.13264	34.3
219.17427	1.8
227.12714	3.9
229.14333	2.1
229.19511	1.7
241.14165	1.3
247.20515	2.6
249.14832	3.7
257.19022	7.8
267.15866	36.1
275.20010	100.0
276.20419	2.1
279.15692	1.3
285.16885	7.3
293.21048	6.0
337.16272	1.2
349.23672	49.0
355.17505	3.4
393.18887	2.5
411.19971	6.0
429.21121	50.3
430.21252	1.6
508.83774	1.4
541.35150	78.4
542.35358	4.1
559.36188	26.2
650.98804	1.4
685.38800	1.5
703.40326	59.3
704.41241	2.0
708.00641	1.5
721.37604	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	721.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	12.7
55.01849	13.6
55.05504	30.0
57.03418	12.3
57.07057	4.3
59.04963	3.3
61.02912	3.9
63.19061	2.7
65.03917	4.5
67.05492	64.0
69.02273	3.2
69.03422	24.5
69.07052	20.8
71.04970	13.4
71.79367	6.0
73.02897	3.2
79.05476	61.7
81.03405	100.0
81.06587	5.7
81.07042	82.1
82.03728	2.8
83.04964	30.2
83.08602	27.0
85.02905	14.7
85.06504	4.5
86.09700	3.8
91.03916	4.4
91.05468	60.8
93.07025	51.7
95.04954	37.7
95.08601	35.8
97.02887	21.6
97.06513	16.7
97.10151	13.3
99.04424	9.7
99.08092	6.2
103.05431	4.6
105.03378	5.2
105.07008	46.1
107.04942	15.2
107.08576	34.5
109.02870	13.2
109.06495	14.3
109.10152	19.8
111.04403	9.4
111.08052	9.1
114.11271	2.9
115.05458	4.0
116.40549	3.0
117.07019	23.3
119.08557	38.8
120.40109	3.2
121.02787	3.1
121.06461	10.1
121.10124	26.6
123.08025	8.4
123.11666	8.7
125.09608	11.3
127.03905	12.2
128.06239	4.2
129.05428	5.6
129.06967	17.6
131.08549	31.2
133.06468	5.3
133.10112	31.5
135.08041	9.5
135.11679	15.0
137.09546	5.6
141.06956	3.6
143.08533	10.4
145.06384	6.7
145.10085	22.7
147.08014	9.2
147.11681	27.1
149.05791	3.6
149.09584	13.7
149.13269	5.9
155.08531	8.2
157.06451	3.5
157.10065	20.3
159.08011	4.5
159.11635	11.1
161.13266	3.9
163.11159	8.2
165.07007	2.7
165.12746	5.7
169.10107	6.5
171.11690	8.9
173.04468	28.9
173.13277	4.3
175.11142	11.3
177.12743	4.0
181.12187	4.3
183.11674	7.9
185.09657	4.0
185.13220	6.5
187.11093	3.4
189.11195	5.4
193.12199	25.5
195.11693	3.8
197.09703	3.1
197.13232	3.8
211.13170	22.4
219.17366	10.0
225.12720	3.9
227.12663	9.1
229.14249	4.0
229.19383	3.8
257.18979	5.4
267.15857	23.9
269.17358	6.5
275.19983	41.9
285.16949	13.8
301.14304	4.2
349.23734	25.6
351.22833	3.2
429.20947	5.8
431.29294	3.7
449.30325	4.2
461.28854	12.9
467.30676	3.6
475.27319	2.9
523.34131	4.2
541.35162	41.1
542.35345	5.0
559.36285	37.5
560.36798	3.9
577.36859	4.2
583.35413	3.2
587.31653	4.9
623.33813	3.6
685.38824	5.6
703.40228	20.1
704.41321	3.2
721.41510	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.01863	1.9
55.05497	10.7
57.03428	12.2
57.07066	25.4
59.04967	0.5
61.02917	4.2
65.03936	0.9
67.05491	19.3
69.03410	3.0
69.07056	8.5
71.01322	0.5
71.04988	2.9
71.08617	18.4
73.02885	1.1
79.05021	0.6
79.05478	12.9
81.03403	39.2
81.07037	24.7
83.04962	9.9
83.08604	22.0
85.02887	20.3
85.06504	1.4
85.10164	12.1
86.09694	0.6
89.05991	1.2
91.03951	1.9
91.05460	18.9
92.47519	0.4
93.07023	10.1
95.04951	17.2
95.08585	18.7
97.02859	3.5
97.06509	2.2
97.09552	0.5
97.10140	6.7
98.21387	0.7
99.04435	0.5
99.08067	0.8
99.11700	0.8
103.07543	0.8
105.07014	11.5
106.96416	0.4
107.04937	3.7
107.08569	4.2
109.06500	3.0
109.10136	9.5
111.04417	2.0
111.08054	7.2
111.11725	0.5
113.05956	1.7
115.05399	0.9
117.06948	1.2
117.09103	0.4
119.04881	0.8
119.07719	0.8
119.08556	12.7
121.06451	0.9
121.10118	6.3
123.08038	1.4
123.11666	3.7
125.09548	0.8
127.03850	0.7
127.07525	0.6
129.05498	0.4
129.06982	6.9
131.08546	6.9
133.06474	2.0
133.10115	7.3
135.11668	0.7
137.09566	1.3
137.13211	1.3
139.11052	0.4
142.07738	1.6
145.10091	1.3
147.08022	2.7
147.10544	0.7
147.11649	11.1
149.09592	3.6
157.10100	10.3
163.11150	0.8
165.12785	1.8
175.11150	10.5
176.11465	0.4
176.18567	0.4
183.24661	0.4
184.07288	1.9
186.80449	0.5
193.12207	30.7
211.13252	51.0
212.13680	0.5
239.23637	1.6
249.14796	0.9
257.24707	1.5
267.15866	16.5
267.18756	0.8
268.16132	0.4
277.74982	0.4
285.16910	65.1
286.17264	1.4
313.27301	75.0
314.27682	1.8
505.38803	13.9
523.39844	100.0
524.40204	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	720.467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.5
57.07061	0.3
58.06576	0.1
67.05488	0.3
69.07053	0.4
70.06578	0.8
71.00324	0.4
72.26247	0.1
81.07021	0.3
82.06113	0.2
82.06565	1.6
83.04957	0.5
83.08603	6.7
84.08119	0.5
85.06538	0.4
91.05473	0.1
93.07066	0.1
93.96262	0.1
94.96221	0.1
96.08109	0.2
97.06527	0.2
98.09680	1.0
100.07602	2.2
100.11234	47.2
101.11562	0.3
107.08579	0.1
109.02900	0.1
110.06027	1.5
111.03638	0.2
111.04415	3.5
112.07580	1.3
112.11208	0.5
117.13869	0.8
119.08533	0.1
126.09153	1.0
127.08667	1.4
128.07053	3.2
129.05446	0.2
136.11176	0.1
139.08633	3.1
140.07033	1.3
147.11674	0.4
149.13277	0.2
155.93460	0.1
164.14328	0.4
165.06937	0.2
166.15883	0.3
168.13866	0.3
172.52518	0.1
175.11188	0.2
180.09203	0.2
180.63539	0.1
182.15369	15.0
182.18878	0.3
183.15727	0.4
189.07027	0.2
190.07693	0.7
191.08521	13.3
192.08951	0.5
192.13785	0.7
193.12268	0.1
198.97632	0.1
199.21741	0.2
205.10088	0.3
208.08792	0.6
209.16452	20.3
210.14850	19.1
210.27838	0.1
211.15262	0.4
218.07202	0.3
219.08009	12.5
220.08777	1.5
226.19096	6.9
227.17513	1.4
227.19481	0.2
228.15903	1.6
233.09555	0.1
236.08287	2.2
251.10631	10.9
252.10956	0.3
268.13275	4.8
269.13660	0.2
303.05127	0.1
308.23468	0.2
308.26807	0.8
309.25327	0.3
326.27954	3.3
335.24414	0.8
336.22745	4.3
343.30624	0.4
417.32037	0.7
435.33237	10.8
436.33340	0.3
453.34262	100.0
454.34564	3.5
565.10754	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	720.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03944	2.8
55.01851	1.3
55.05510	7.4
57.03435	4.8
57.07052	0.9
65.03922	0.9
67.05497	18.7
68.64111	0.6
69.03406	1.3
69.07059	4.9
70.06576	0.5
71.01360	0.7
71.04978	1.6
71.08614	0.8
71.80773	0.8
79.05483	27.3
80.05793	0.6
81.03410	37.2
81.06593	1.3
81.07047	18.6
83.04961	6.2
83.08605	8.8
85.02894	0.9
85.06509	1.3
91.05468	23.1
93.07030	23.6
95.04377	1.2
95.04954	17.7
95.08600	10.7
97.02876	1.8
97.06526	2.3
97.10172	1.8
99.08118	0.8
103.05396	0.9
105.03346	0.9
105.07014	17.2
107.04943	3.9
107.08578	6.2
108.99837	0.7
109.06502	4.5
109.10155	3.2
111.04445	1.0
111.08066	3.1
115.05461	1.3
117.07026	3.4
119.05019	0.7
119.08557	14.1
121.06480	2.6
121.10117	3.8
123.08060	2.0
125.09634	0.9
127.07618	1.0
128.06181	0.8
129.06982	9.7
131.08543	5.0
133.06499	1.2
133.10094	6.2
135.04410	0.7
135.08084	0.9
135.11699	0.8
137.02397	0.7
137.05902	0.7
137.09637	0.8
142.07751	1.4
143.08540	3.0
145.10124	4.3
147.08034	2.7
147.10544	1.2
147.11671	15.8
149.09599	1.8
151.07481	0.7
151.43095	0.6
157.10127	4.3
161.09573	1.9
161.13229	3.4
165.12802	1.2
171.11671	8.1
175.11191	3.0
189.12704	3.0
193.12209	8.0
198.18550	0.6
198.92531	0.6
207.13795	9.0
211.13354	1.0
219.03256	0.6
220.22856	0.7
249.14764	1.0
267.15884	33.1
281.17438	32.0
345.20569	0.7
347.05383	1.6
421.25491	0.8
473.28949	100.0
474.29184	5.1
491.29980	2.4
515.29852	1.4
528.26019	0.8
569.30469	0.7
581.30267	0.9
720.31219	1.2
721.94598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.8
55.01862	4.2
55.05509	29.2
57.03441	15.0
57.07058	2.7
61.02903	7.0
65.03936	4.4
67.05499	68.4
69.03410	6.3
69.07058	24.4
71.04988	3.5
71.08612	2.4
71.27626	4.7
71.27975	1.9
73.02888	2.4
73.06523	2.7
76.99862	1.8
79.05486	81.6
79.23393	2.0
81.03062	1.7
81.03411	19.5
81.07047	72.1
83.04981	12.7
83.08607	14.4
85.02880	6.3
85.06526	6.1
86.09706	3.0
91.05470	100.0
92.05812	2.3
93.07033	95.7
95.04958	25.3
95.08599	48.2
97.02911	4.7
97.06511	8.2
97.10135	8.8
99.08077	3.6
105.07021	85.4
107.04944	11.4
107.08589	37.8
109.02863	3.3
109.06504	8.7
109.10148	14.8
111.08054	4.9
115.05430	4.4
117.07010	26.8
119.08572	66.0
121.06462	3.9
121.10122	21.1
122.10468	2.6
123.08037	6.4
123.11645	3.9
125.09576	3.8
127.03912	2.1
128.06216	4.1
129.06970	28.6
131.08537	32.8
133.06442	2.2
133.10118	39.8
135.11678	18.6
141.06995	5.3
141.09079	2.6
142.07788	3.2
143.08560	20.4
145.06487	2.4
145.10123	27.9
147.08025	3.7
147.11671	61.6
149.09529	2.8
149.13281	9.3
155.08548	7.8
157.10158	13.4
158.99472	2.2
159.11664	22.1
161.09604	5.0
161.13225	26.5
163.11171	5.7
163.14796	3.4
167.08556	4.1
169.10091	10.8
171.11678	34.6
173.13274	13.4
175.14798	14.1
179.08421	2.7
181.10069	6.2
183.11644	7.8
184.07350	2.7
185.13248	10.8
187.11005	3.6
187.14844	5.7
189.12697	10.0
195.11697	7.0
197.13245	5.4
199.14738	5.3
207.13814	16.8
209.13284	4.8
211.14769	3.9
213.16354	3.2
231.17375	2.6
231.20999	6.4
241.14156	2.9
241.19417	22.4
257.19183	3.9
259.20560	56.8
261.22049	2.6
279.15991	13.0
281.17426	57.8
299.23636	2.0
315.23132	7.0
329.55161	2.0
333.24268	38.5
361.24554	2.3
437.34210	3.5
447.32614	11.4
465.33432	11.4
467.81918	2.4
483.34653	5.6
518.38141	2.4
521.36041	8.6
527.37573	3.5
528.37518	12.8
529.38391	3.8
539.37268	95.6
540.37366	5.6
557.38403	41.4
647.38654	2.7
701.42090	8.1
719.42224	6.5
720.75317	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69641	2.3
53.03916	9.5
55.01862	40.9
55.05499	26.9
57.03423	13.2
57.07048	4.0
65.03907	2.6
67.05491	59.1
69.03416	19.4
69.07054	33.4
71.04959	11.2
71.07401	4.8
71.07738	5.8
79.05474	46.5
81.03404	60.2
81.06592	5.0
81.07037	64.2
83.04960	21.4
83.08602	13.0
85.02883	7.8
85.06535	4.6
89.05978	3.0
91.05458	61.3
93.06501	3.2
93.07035	44.3
95.01308	7.1
95.04932	17.8
95.08588	34.3
97.02875	16.2
97.06506	50.9
97.10161	4.6
99.04416	6.6
99.50481	2.9
104.53996	2.6
105.07004	78.1
107.04935	28.1
107.08578	30.9
109.02843	11.1
109.06467	9.2
109.10114	12.6
111.04417	9.8
111.08019	7.7
111.76147	2.6
113.05909	3.6
115.05330	3.1
117.07001	19.0
119.08555	38.2
121.02827	7.6
121.06417	3.5
121.10112	18.0
123.04391	2.6
123.08016	5.0
125.09617	3.8
127.03890	16.7
129.06963	7.6
131.08559	31.9
133.10106	41.7
135.08015	7.4
135.11661	20.2
137.09605	4.8
139.07402	4.0
141.06979	2.6
143.08513	4.6
145.06396	4.1
145.10086	24.2
147.11659	17.0
149.09587	10.9
151.11200	3.1
153.12692	11.1
155.08482	4.8
157.10101	9.3
159.11664	12.8
161.13240	2.9
163.11162	18.1
165.09180	2.7
169.09978	5.2
171.11655	2.9
173.09601	7.3
173.13181	4.8
177.12714	5.3
179.14290	14.0
181.12170	4.8
183.11635	3.3
187.11058	4.7
191.10606	7.2
209.11725	4.8
227.12694	12.6
227.20065	4.2
229.14250	3.6
229.19649	3.1
257.18884	10.1
265.14410	8.4
275.19998	100.0
283.15298	9.5
293.21155	6.0
349.23697	44.2
353.15833	8.2
369.88980	2.6
427.19592	70.8
539.33276	27.3
557.34741	22.4
701.38690	76.5
719.39270	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	719.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55353	1.0
53.03939	11.9
55.01869	13.2
55.05502	41.1
57.03428	14.7
57.07076	2.2
59.04993	2.8
60.68898	1.1
61.02914	2.4
64.32120	1.1
65.03937	4.6
67.05492	68.8
68.05820	2.0
69.03417	35.0
69.07054	29.9
69.44907	11.1
70.03774	1.4
70.06589	1.0
71.01324	2.2
71.04976	13.5
73.02881	1.5
73.79996	1.2
77.03901	1.0
79.05478	57.2
79.88501	1.0
80.05827	1.4
81.03404	100.0
81.07041	68.6
82.03735	1.6
82.07408	1.7
83.01347	3.1
83.04964	26.9
83.08602	28.3
83.09059	1.9
84.08949	1.0
85.02891	23.4
85.03387	2.1
85.06532	3.5
86.09679	1.1
87.04476	1.4
91.05465	52.7
92.05846	1.5
93.07028	51.3
94.07356	1.6
95.04954	31.2
95.08593	32.5
96.08919	1.3
97.02880	26.8
97.06507	10.7
97.07018	1.3
97.10149	25.3
99.04440	8.9
99.08091	2.4
103.03935	1.2
103.05486	2.8
105.03396	1.6
105.04489	1.6
105.07014	46.1
106.07355	1.9
107.04932	21.6
107.08572	34.7
108.08884	1.2
109.02870	24.2
109.06499	14.8
109.10143	25.1
110.10502	3.1
111.04424	15.7
111.08064	10.6
113.05984	2.3
115.05444	5.1
116.06240	1.1
117.06995	24.7
117.07773	2.1
119.04946	4.0
119.08553	36.8
119.09378	2.2
121.06460	10.2
121.10123	18.8
123.04411	3.4
123.08043	11.2
123.11697	4.4
125.05968	1.2
125.09602	13.7
125.10458	1.4
127.03896	13.8
128.06253	3.4
129.05513	2.8
129.06976	16.9
130.07813	1.3
131.04892	2.8
131.08542	28.5
133.06505	6.1
133.10107	19.7
135.04430	2.0
135.08034	9.2
135.11664	12.4
137.05965	1.3
137.09579	6.7
138.30699	1.2
139.11215	1.2
141.06993	2.1
141.49329	1.0
142.07788	3.5
143.08553	9.7
144.09204	2.2
145.04906	1.3
145.06488	6.7
145.10101	22.5
147.04396	2.2
147.08020	13.4
147.11664	16.7
147.74312	1.1
149.05974	2.9
149.09573	10.6
149.13248	4.1
151.07510	2.5
151.11197	3.1
153.06979	1.3
153.09126	3.2
153.12697	7.4
154.07852	1.3
155.08527	5.4
157.10081	12.7
159.08040	4.3
159.11642	10.0
161.06049	1.9
161.09613	7.8
161.13261	1.9
163.11153	18.0
165.07021	1.2
165.09099	2.2
165.12773	3.2
167.08554	2.2
169.06573	1.4
169.10092	6.3
171.07980	2.8
171.11707	5.7
173.04462	13.1
173.05902	2.1
173.09627	5.1
173.11859	2.3
173.13290	4.9
175.07545	1.5
175.11147	12.0
177.09155	1.4
177.12762	3.2
179.08545	1.3
179.10791	1.5
181.10101	1.5
181.12244	4.7
183.06511	1.2
183.11737	4.1
185.09584	2.5
185.13301	3.1
187.11179	2.8
187.14752	1.5
189.09338	1.8
189.11223	10.9
189.12743	2.4
191.10623	6.0
193.04994	1.7
193.12210	22.6
194.12619	1.2
195.11777	2.4
195.13776	2.2
197.13329	3.2
199.11238	2.3
199.14928	1.2
201.09166	1.4
201.12706	2.9
205.10443	1.2
205.12247	3.6
209.11678	3.2
211.11287	1.2
211.13251	27.8
211.15091	1.9
213.12796	2.1
217.15897	1.3
219.13780	2.4
223.11264	1.7
223.13242	9.9
227.12714	20.6
229.12294	2.4
229.14357	4.3
243.13852	1.3
245.13675	1.6
245.19063	1.4
247.20642	2.6
249.14951	3.4
257.19061	4.9
267.15784	10.4
273.15424	2.1
273.18451	19.4
275.20010	21.7
276.20358	1.4
283.15421	12.0
285.17017	5.4
291.19498	61.5
292.20102	1.7
297.18277	1.8
313.21680	4.4
315.19830	1.3
319.15414	1.8
331.22748	2.2
337.16425	3.9
347.22101	7.1
349.23676	7.9
353.15967	2.7
355.17673	4.6
365.23169	7.5
371.21960	2.2
399.21097	1.3
403.25229	1.4
411.20090	6.6
419.24350	1.7
423.27420	2.6
424.27621	5.8
427.19672	3.5
429.11716	2.0
429.21017	1.6
430.11917	1.8
431.96606	1.3
435.23743	2.0
437.25143	1.9
445.26093	1.4
447.28467	1.9
455.25955	1.4
465.30026	1.7
473.25018	1.7
475.26855	1.4
477.28778	2.0
483.31110	1.8
493.27646	1.9
528.37439	5.8
529.35553	2.2
539.33612	12.0
557.34662	31.0
575.35950	9.0
581.28918	2.4
621.32251	2.7
623.36700	1.3
665.36908	2.4
683.37842	5.7
701.38892	18.0
719.39813	78.8
720.40369	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	718.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01865	3.5
55.05504	9.1
55.31608	0.7
57.03426	10.3
57.06784	1.3
57.07066	20.4
58.48599	0.7
59.04982	1.7
61.02911	3.5
67.05495	7.9
69.03426	1.5
69.07050	6.2
71.01334	1.0
71.04980	1.4
71.08617	15.2
71.82663	0.9
71.83045	0.8
72.81422	0.7
73.02913	0.8
73.45986	0.8
75.81511	0.7
79.05475	8.0
81.03410	5.1
81.06593	1.1
81.07046	15.0
83.01334	5.5
83.04966	5.1
83.08599	11.1
85.02896	5.4
85.10172	9.5
85.71222	0.7
86.09688	1.1
89.06007	1.1
91.03945	1.9
91.05465	6.0
93.07026	12.1
95.04960	3.8
95.08585	14.0
97.02892	2.8
97.06529	2.5
97.10143	3.7
99.04443	0.9
105.07030	4.7
107.04939	3.1
107.08578	6.3
109.06499	3.4
109.10124	5.6
111.04387	2.1
111.11711	0.9
117.06982	4.3
119.08568	5.7
121.06464	1.1
121.10126	6.1
123.08060	4.7
123.11713	2.3
124.96198	0.7
125.00033	0.9
125.05985	1.0
127.03925	0.9
129.06909	1.0
130.07745	0.8
131.08540	2.3
133.10115	1.8
135.11659	7.6
137.09547	1.2
137.13298	1.2
145.10104	8.2
147.08044	1.3
153.12675	1.3
155.08470	1.4
163.11160	13.4
173.09595	2.6
181.12158	2.2
184.07291	5.3
191.10677	1.3
209.11769	4.7
227.12737	1.9
257.24802	1.2
283.15359	100.0
284.15756	2.9
297.08899	0.8
313.27301	74.7
314.27655	2.0
411.13477	0.8
521.38287	49.2
522.38562	2.9
546.38660	0.8
713.44000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.07059	0.6
58.99565	0.8
67.05476	0.7
69.03432	0.4
69.07066	0.4
69.91521	1.7
70.06583	0.3
71.06103	12.0
72.04504	1.7
73.02914	1.3
76.02210	1.2
77.00614	10.0
81.03400	0.4
84.04475	1.1
84.08141	0.3
85.02876	1.0
85.06525	1.0
86.06039	1.6
86.09692	0.7
88.02222	0.3
95.04951	0.9
97.02861	0.4
97.06506	1.0
98.02400	0.9
98.06026	0.6
99.05567	1.1
100.03957	0.5
100.07607	0.6
102.03735	0.6
103.03284	0.6
103.07523	0.3
107.99384	3.4
109.02909	0.4
110.41590	0.3
113.05963	1.7
114.03725	0.7
114.05499	1.0
115.03220	0.4
115.08678	1.0
116.03439	0.7
118.03220	40.0
122.64298	0.3
124.07546	1.7
125.07078	0.5
126.05473	0.3
127.03903	0.9
130.03204	22.4
130.08636	0.9
131.06293	0.5
132.04756	0.5
142.08612	5.5
142.09662	0.5
143.08102	0.6
147.05843	100.0
148.06215	0.6
149.07393	2.6
150.00366	1.3
151.03928	0.3
156.10188	0.3
157.04288	0.9
157.10942	0.6
159.05840	1.3
160.09744	0.4
162.00424	0.6
163.03896	0.5
166.08585	0.4
173.03775	1.3
175.05339	2.5
177.94765	0.3
178.04997	0.3
181.04700	0.3
183.11273	1.1
184.09644	4.9
189.06865	0.7
189.09949	0.3
195.06221	2.4
201.06966	0.5
201.12503	0.2
202.10753	1.1
203.04788	0.3
206.04466	1.0
207.04646	0.3
207.06219	3.9
213.12367	1.5
218.09654	0.4
224.08826	8.4
228.07956	0.3
237.07271	1.8
248.08853	0.5
249.07172	1.7
259.11111	4.7
260.08881	0.6
261.07214	0.8
266.09872	7.1
277.12039	1.2
278.09879	20.1
295.12521	62.4
296.12732	1.2
305.11005	2.7
326.89920	0.3
336.13980	1.1
353.16977	0.3
354.14893	0.3
385.13263	0.5
389.16702	0.4
390.15231	0.8
407.17746	9.5
421.15720	0.6
425.18805	76.2
426.19009	2.1
427.15247	0.5
533.20648	0.4
537.24084	10.8
538.24097	0.4
555.25104	0.7
569.23126	0.4
587.24097	21.5
588.24280	0.7
699.19531	0.3
699.29510	2.7
717.30280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5498
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
51.02353	0.2
53.03934	0.7
55.05500	6.7
56.05029	4.3
57.03415	0.3
57.07064	3.5
58.06580	1.0
59.20422	0.2
60.04518	2.3
61.02928	0.4
65.03917	0.8
67.04220	0.6
67.05492	13.3
68.04995	1.0
69.03400	1.0
69.07056	7.7
69.70515	0.2
70.06585	2.0
71.08625	1.8
71.80457	0.6
77.03967	0.3
79.05479	11.2
80.04572	0.3
80.05000	3.4
81.03394	0.9
81.05771	1.7
81.07039	11.0
82.06564	7.7
83.08602	4.4
84.08108	0.4
85.02873	2.0
85.10153	1.0
86.06041	0.6
91.05465	9.1
92.05798	0.5
93.05752	0.6
93.07027	9.6
94.06551	19.2
95.04957	1.6
95.07333	9.0
95.08582	8.3
96.08112	5.7
96.78315	0.3
97.02863	1.0
97.06494	0.4
97.10152	2.2
105.04498	0.4
105.07004	6.2
107.07336	0.4
107.08580	5.8
108.08105	3.0
109.06438	0.3
109.10129	3.5
110.09661	0.4
111.08039	0.4
111.11713	0.7
117.07023	0.4
119.08561	5.6
121.08858	0.7
121.10121	6.3
122.09649	2.7
123.11687	1.2
124.11184	0.6
127.03902	0.4
133.10112	3.4
134.09613	0.4
135.10527	0.6
135.11656	2.9
136.11182	0.7
137.13213	0.7
139.95485	0.3
145.04918	0.3
145.64221	0.3
147.11621	1.7
149.13229	1.0
151.14793	0.4
161.13210	0.9
163.14774	0.7
175.14848	0.5
175.25433	0.3
182.18990	0.3
183.42380	0.3
191.17947	0.4
219.21124	0.3
233.22620	3.7
234.22105	0.8
237.22115	0.4
241.85611	0.3
245.22589	4.1
248.23322	0.3
250.25255	8.7
251.25607	0.6
254.24757	0.9
260.23611	0.4
262.25250	100.0
263.21115	0.3
263.23795	0.4
263.25732	3.3
266.24728	0.3
272.25842	4.3
280.26297	6.6
310.27240	0.3
312.25244	0.4
314.26904	0.3
442.31534	0.5
504.47650	5.1
505.48383	0.4
516.47693	30.5
517.48132	2.0
518.49219	5.5
519.49176	0.3
534.48718	21.0
535.48810	0.9
696.54004	6.0
697.53302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.01849	0.8
55.05268	0.6
55.05503	6.5
57.03420	3.9
57.07068	3.4
60.07923	0.6
60.08159	6.5
65.03923	1.0
67.05495	18.9
69.03409	0.9
69.07056	7.4
70.94614	2.1
71.04965	1.7
71.07364	3.2
71.08605	2.6
79.05475	10.3
81.03384	0.8
81.07043	22.3
83.04962	3.2
83.08609	4.6
85.02859	1.4
85.06507	0.9
85.10123	1.1
86.09692	30.1
91.05477	8.4
93.07024	11.5
95.04942	2.6
95.08589	15.4
96.73438	0.6
97.02865	1.0
97.06517	2.0
97.10133	1.4
98.98444	2.9
104.10732	1.5
105.07012	9.1
107.08575	7.3
109.06449	0.7
109.10142	9.5
111.04440	0.9
111.08060	1.1
117.06982	2.7
119.08572	8.3
121.02794	1.0
121.10126	7.1
123.08080	1.3
123.11710	1.4
124.99125	1.3
124.99982	18.2
129.06969	0.8
131.08554	3.8
133.10109	4.4
135.11685	3.8
137.13226	0.7
143.08456	1.7
145.10107	4.1
147.11650	6.7
149.13234	3.6
157.10089	1.2
159.11684	3.7
159.69318	0.7
161.13225	2.1
163.14752	0.9
165.12685	2.9
171.11661	1.2
173.05873	0.7
173.11888	1.6
173.13249	2.4
175.14851	1.4
177.16331	0.7
181.06448	0.9
184.07314	100.0
185.07690	1.0
185.13336	1.6
187.14816	1.2
199.14763	1.3
201.05383	0.9
207.39198	0.7
213.05453	1.7
213.09122	0.8
223.07590	0.8
229.14310	8.6
237.09204	0.6
239.16330	5.0
241.04956	1.2
241.17850	1.8
242.05205	0.9
243.20985	0.9
251.06729	0.8
251.69069	0.7
259.20538	1.1
261.22119	2.8
287.23523	1.2
299.23599	0.7
303.05161	0.7
317.24918	1.5
323.20309	0.9
324.20306	1.0
333.24432	0.8
335.25793	13.2
349.18100	0.8
350.18295	1.2
358.14865	0.8
367.18954	4.3
368.19400	4.5
384.19025	0.8
391.28604	0.8
407.32938	1.5
425.34174	3.5
443.35129	1.7
478.33679	1.9
489.35608	4.9
499.37790	7.9
504.31747	1.2
507.36597	0.8
517.38824	21.8
518.39099	1.3
521.32642	4.1
522.32867	15.1
567.39465	0.7
573.48633	1.2
714.47772	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	713.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
61.02905	0.5
67.05493	1.3
71.04973	0.5
71.81463	0.9
73.02882	0.6
79.05535	0.5
81.03404	1.7
81.07033	1.3
83.04953	0.5
85.02898	1.1
86.09666	0.8
91.05480	1.4
93.07054	0.9
95.04962	0.9
97.02875	0.6
105.07028	0.9
109.06461	0.5
109.10145	0.8
116.79767	0.4
121.06471	0.6
127.03941	0.7
127.10460	0.4
131.08609	0.6
133.10039	0.7
135.11688	0.7
184.07307	0.8
211.13246	0.6
221.46147	0.5
308.12030	0.6
447.27505	0.7
448.27689	1.4
467.18497	0.6
469.20847	0.7
485.17252	0.8
573.17456	0.6
679.44501	0.5
695.32947	0.8
713.31439	100.0
714.31464	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	712.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.9
55.01839	1.9
55.05500	11.2
57.03428	14.9
57.07067	2.1
61.02914	2.7
62.97553	0.4
65.03902	1.8
67.05494	49.4
68.05807	0.9
69.03398	0.9
69.07056	14.4
71.01341	3.1
71.04980	3.1
71.08606	0.6
71.28027	1.0
77.03893	0.6
79.05480	39.8
80.05745	0.4
81.03404	3.8
81.07042	34.4
82.07320	0.4
83.04968	7.9
83.08150	0.5
83.08604	6.2
85.02899	2.7
85.06506	3.2
91.03941	1.0
91.05465	16.9
93.07028	48.3
94.07351	0.6
95.04484	0.4
95.04951	5.3
95.08590	22.4
97.02841	1.5
97.06519	9.3
97.09571	0.7
97.10155	7.9
99.08064	1.9
105.06324	0.7
105.07014	9.2
107.04937	0.8
107.08573	31.6
108.08925	0.4
109.06472	1.5
109.10142	11.3
111.08072	2.5
111.11692	1.0
113.09606	0.6
115.05416	0.4
117.07007	5.1
119.08557	8.7
121.06454	1.3
121.09234	0.7
121.10126	14.0
123.08029	1.0
123.11691	3.7
125.09561	1.2
130.07750	0.8
131.07764	0.5
131.08553	5.2
133.10112	7.9
135.11668	41.7
136.11938	0.5
137.09583	1.5
137.13237	1.0
140.41647	0.4
143.08505	0.7
145.10106	9.8
147.11674	3.0
149.13210	4.0
151.11165	0.9
153.12695	2.3
157.10080	0.8
159.11671	2.6
161.13196	1.8
163.11182	4.9
163.14850	1.4
171.11688	0.6
173.13252	2.5
175.14796	1.0
177.16344	0.6
181.12213	9.3
187.14816	1.5
199.13268	1.9
201.16360	0.5
205.15692	0.5
205.37872	0.5
243.21088	3.7
253.14320	3.5
255.15878	100.0
256.16214	2.0
259.20691	0.6
261.22092	11.5
317.24683	1.6
335.25745	48.1
336.26105	1.3
402.04825	0.4
405.31683	0.7
423.32425	1.9
441.33466	1.2
497.36115	1.4
515.37256	73.2
516.37805	3.9
533.38190	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	712.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
53.89346	0.9
55.01862	1.1
55.05501	8.8
57.03420	3.2
57.07047	2.4
59.04988	1.6
61.02903	2.4
63.38300	0.7
65.03929	1.0
67.05148	1.2
67.05475	6.6
69.03415	15.7
69.07054	4.0
70.06578	0.9
71.04981	5.0
71.80334	0.8
73.02898	4.2
79.05482	4.8
81.03401	15.8
81.07037	14.3
83.04958	12.6
83.08601	6.4
85.02887	50.4
85.06516	2.7
86.09700	0.9
87.04449	2.9
91.03915	1.2
91.05460	9.7
93.07017	7.4
95.04382	1.4
95.04958	21.5
95.08593	6.4
96.19457	0.7
97.02878	20.8
97.06505	5.7
99.04438	39.8
99.08081	1.0
103.03923	57.8
105.07011	10.3
107.08571	18.9
109.02856	26.3
109.06496	13.6
109.10136	31.2
111.04430	2.2
111.08053	3.8
113.05965	1.2
115.07531	1.3
117.06989	1.6
119.08559	6.9
121.02847	1.5
121.06425	1.2
121.09242	1.0
121.10114	15.1
123.04428	1.5
123.08070	4.0
123.11706	6.0
125.05965	1.2
125.09597	2.9
127.03892	97.6
128.04227	2.0
129.06999	0.8
131.08527	8.2
133.10101	36.3
134.10387	1.0
135.08035	5.2
135.11681	2.3
137.02324	1.7
137.05974	8.1
137.09587	1.1
137.13229	2.0
139.11157	1.0
143.08565	1.2
145.04930	48.6
145.10095	3.5
147.04315	1.1
147.11664	5.9
149.09627	1.8
149.13197	8.1
151.07500	1.0
151.11151	11.2
153.09084	9.7
154.08577	1.4
158.10880	4.2
163.03821	2.3
163.05995	45.9
163.11183	1.5
163.14767	3.8
165.12715	3.4
167.06979	2.7
167.10599	1.0
167.14284	11.2
169.04933	1.8
171.10100	2.1
171.11607	0.9
173.13234	26.3
175.14796	4.2
187.06000	10.2
191.14275	29.3
193.15894	1.0
205.07059	6.6
207.13736	1.2
209.15332	100.0
210.15591	2.2
225.14677	0.8
227.16307	6.3
229.07056	2.1
235.13890	0.8
245.10222	1.1
247.07841	0.9
253.06917	4.3
271.08081	16.0
289.09094	14.1
303.04880	1.5
307.10159	21.5
325.74298	0.8
336.76071	0.8
345.14743	1.0
379.10181	1.0
397.11084	2.4
415.12399	6.1
433.13443	8.2
451.14215	2.8
687.19067	0.9
712.27472	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	711.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67475	0.3
55.01861	0.3
55.05508	0.4
56.66500	0.4
57.03429	0.6
57.07060	0.4
61.02905	0.6
64.46042	0.3
67.05492	2.3
69.03387	0.5
69.07059	0.8
69.70995	0.5
69.71401	2.7
70.96119	0.3
71.04991	0.4
71.08620	0.6
79.05480	0.9
81.03414	1.2
81.07044	1.4
83.04962	0.6
83.08586	0.6
85.02895	1.1
91.05460	1.2
93.07024	1.2
94.07333	0.4
95.04951	1.0
95.08598	1.1
97.02866	0.6
97.06495	0.5
104.10763	0.3
105.03375	0.5
105.07033	1.0
107.04921	0.6
107.08569	0.7
108.08901	0.4
109.06513	0.4
109.10131	0.5
117.06997	0.5
119.08601	0.6
121.10114	0.4
129.07014	0.5
131.08545	0.7
133.10118	0.8
135.11743	0.6
137.02338	0.5
145.02838	0.6
147.04413	0.3
163.03871	0.9
163.11124	0.5
177.05492	0.9
193.12349	0.5
203.69920	0.3
253.14357	0.8
254.14572	0.6
263.07208	0.7
269.17337	0.5
272.15955	0.4
273.05527	0.4
283.15390	0.7
285.16852	0.4
317.17560	1.9
319.06000	1.0
347.05423	2.0
365.06589	0.9
391.85757	0.4
395.70691	0.4
449.09436	0.3
464.27420	1.0
467.19016	0.9
473.19955	0.3
478.28662	0.9
485.17441	0.9
496.29608	1.2
711.29791	100.0
712.30090	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	710.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.1
55.05503	9.9
57.03426	12.2
59.05001	0.7
59.19040	0.4
61.02907	0.9
65.03920	0.7
67.05491	17.6
69.03411	3.2
69.07053	5.2
71.04987	3.8
71.50279	0.8
71.50598	0.5
73.02911	0.6
77.03913	0.7
79.05006	0.9
79.05476	17.6
81.03403	76.5
81.07039	18.6
82.03747	0.7
83.04968	8.2
83.08603	20.9
85.02885	11.0
85.06534	1.3
86.09686	1.1
91.03897	0.5
91.05462	21.9
93.07027	13.0
93.07629	0.6
95.04952	25.8
95.08591	8.3
97.02879	3.6
97.06511	3.2
97.10172	5.2
99.08092	0.8
103.05454	0.7
105.03361	1.8
105.07014	17.1
107.04935	7.1
107.08578	6.4
109.02862	0.5
109.06506	4.2
109.10145	4.3
111.04427	2.4
111.08055	8.3
113.05978	1.2
115.05440	1.5
117.07003	2.7
119.04926	0.8
119.08559	16.2
121.02872	0.5
121.06501	3.3
121.09339	0.8
121.10136	7.7
123.04424	1.6
123.08047	3.0
123.11681	1.7
125.09602	4.1
127.03865	1.0
128.06194	1.1
129.06990	11.5
131.04924	1.2
131.08543	12.7
133.06474	3.9
133.10112	7.6
135.04370	0.6
135.08049	1.5
135.11673	1.0
137.05933	1.2
137.09579	2.1
139.11156	2.9
141.06996	0.8
142.07739	2.6
143.08539	1.1
145.02821	0.6
145.06459	3.7
145.10112	3.0
147.04388	0.6
147.08032	2.8
147.11662	12.2
149.09564	5.4
151.11162	1.1
155.08585	1.0
157.06479	0.7
157.10112	13.0
159.08043	0.8
159.11632	1.2
163.03859	1.0
163.11125	1.3
165.12726	2.5
167.08463	0.6
169.10121	0.7
169.21489	0.4
171.08015	0.6
171.11630	0.9
173.09528	0.9
175.11163	13.5
175.69727	0.5
176.11452	0.6
177.05399	1.1
177.12683	1.0
183.07941	0.7
183.11711	0.4
184.07320	3.2
185.09641	0.6
185.13313	0.9
187.11136	0.8
189.11214	0.8
189.12743	0.7
191.14290	0.7
191.41328	0.5
193.12212	33.2
194.12534	0.7
195.08008	0.7
195.11700	1.1
195.13722	1.1
197.13197	0.5
211.11230	1.2
211.13245	16.0
213.14818	1.4
215.14334	0.7
219.13753	1.2
223.13190	0.7
224.10561	0.7
227.12704	1.0
229.14262	1.3
237.12665	1.1
237.14778	0.6
249.14864	1.5
255.13841	1.5
257.15231	0.6
267.15863	100.0
268.16229	1.8
273.14740	2.8
285.16907	17.2
299.16214	0.6
301.14124	0.6
309.17068	0.6
323.18689	0.5
329.52817	0.5
333.24084	0.9
339.23230	0.7
339.78021	0.5
341.21164	1.7
349.21530	3.2
351.25061	1.1
357.23788	0.6
367.22665	7.4
371.13766	0.5
385.23639	9.3
403.24573	2.6
405.24417	0.6
415.24619	1.0
433.25763	13.6
433.31006	0.5
434.26288	0.7
441.26251	6.2
449.28159	0.5
459.27350	69.9
460.27753	3.1
477.28397	45.4
477.34027	0.7
478.28723	1.7
495.29001	2.4
501.28577	0.7
519.29602	1.2
539.44385	0.6
585.30743	0.6
603.31470	0.8
617.16846	0.7
621.31995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.05494	0.5
56.05011	0.4
57.03429	0.5
58.06623	0.3
59.07390	0.1
60.08152	6.0
61.02892	0.1
65.03920	0.1
67.05489	1.3
68.05840	0.1
69.03402	0.3
69.07051	0.3
70.06568	0.1
71.02536	0.1
71.02882	0.2
71.04984	0.1
71.07359	2.8
79.05479	1.1
81.03403	2.3
81.07042	1.4
82.03733	0.2
82.07371	0.1
83.04958	0.6
83.08603	0.8
84.35315	0.1
85.02896	0.9
85.06525	0.2
86.09689	30.1
87.10009	0.2
91.05463	1.8
93.07020	1.0
94.07330	0.2
95.04950	1.3
95.08574	0.5
97.02884	0.2
97.06508	0.3
97.10149	0.2
98.98443	2.6
99.04443	0.1
99.75686	0.1
104.10722	2.5
105.03371	0.4
105.07006	0.9
106.07323	0.1
107.04937	0.5
107.08558	0.7
108.05373	0.1
109.02881	0.1
109.06509	0.3
109.10142	0.3
111.04405	0.3
111.08067	0.4
117.07008	0.2
119.04913	0.1
119.08566	0.9
121.02831	0.7
121.06487	0.2
121.10130	0.6
122.10432	0.1
123.08065	0.1
123.11676	0.1
124.99977	18.9
125.61744	0.1
126.00253	0.1
127.03930	0.2
129.06952	0.5
131.08580	0.5
133.06476	0.2
133.10100	0.6
135.11673	0.2
137.09639	0.1
142.07770	0.2
143.01038	0.3
143.08475	0.1
145.02855	0.1
145.06458	0.2
145.10121	0.2
146.10509	0.1
147.04390	0.4
147.08043	0.2
147.11655	0.6
149.09596	0.4
151.11165	0.1
153.12775	0.1
155.08505	0.1
157.10078	0.5
163.03885	0.2
163.11197	0.4
164.11528	0.1
165.12773	0.2
173.09654	0.2
175.11169	0.6
184.07306	100.0
185.07680	1.0
191.10692	0.1
193.12195	1.2
194.12747	0.1
209.11726	0.2
211.13216	1.1
212.13606	0.2
227.12683	0.1
229.89098	0.1
240.10234	0.4
265.14249	0.2
266.14627	0.2
267.15851	2.3
268.16208	0.1
283.15491	0.2
284.15659	0.2
285.16907	1.3
286.17212	0.1
302.16925	0.1
367.22449	0.1
385.23846	0.2
445.25714	0.2
450.22531	0.2
459.27350	1.8
463.26779	0.2
475.26910	0.2
476.27246	0.2
477.28226	2.4
478.28568	0.1
493.27759	0.2
494.28403	0.2
495.29092	1.3
511.29041	0.1
513.29620	0.5
660.34943	15.6
661.35217	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22876	1.4
53.03931	5.7
55.01859	1.8
55.05507	20.8
57.03426	10.1
57.07065	4.7
59.04992	1.5
60.33397	1.2
65.03915	2.0
67.05493	100.0
68.05824	1.9
69.03416	10.6
69.07059	19.2
71.01329	1.7
71.04982	19.3
71.08633	3.6
71.25348	3.8
79.05484	42.5
81.03409	27.6
81.07042	53.6
83.04970	15.6
83.08601	12.5
85.02879	4.9
85.06522	4.9
87.04451	1.4
91.05466	30.5
93.07029	42.6
95.04958	10.7
95.08591	36.8
97.02879	5.8
97.06532	6.4
97.10169	7.1
99.04441	2.4
105.07011	17.8
106.81830	1.3
107.04945	3.1
107.08578	24.9
109.02863	3.8
109.05038	1.3
109.06504	2.3
109.10140	56.9
111.04449	4.7
111.08065	4.1
117.06992	8.5
119.08569	19.9
121.06517	2.3
121.10127	16.1
123.04394	1.4
123.11691	5.3
124.96869	1.4
125.09625	2.3
127.03886	2.6
129.05469	6.3
129.07019	4.3
131.08553	9.8
133.10117	13.9
135.07990	2.0
135.11662	19.3
137.09619	7.0
139.11220	2.4
142.07774	1.5
143.08521	3.1
145.06503	1.8
145.10118	10.3
147.11681	3.9
149.09576	2.2
149.13248	4.1
151.11171	2.0
153.01851	1.9
155.10669	2.6
157.10069	3.3
159.11690	5.6
161.09622	2.3
161.13278	3.5
163.11151	5.7
165.12875	1.8
169.12289	1.4
171.11726	2.3
173.04436	6.2
173.11716	8.8
173.13148	2.6
175.11189	2.3
179.10728	2.3
181.12190	2.9
183.11729	1.3
184.07362	2.8
185.13239	2.7
187.13399	3.1
187.14832	2.1
209.11710	2.0
211.13225	2.8
229.14349	4.9
243.15891	2.3
255.15901	7.6
255.23158	2.1
259.20505	2.0
261.22125	2.6
267.15891	3.7
277.21320	2.2
287.18652	3.1
303.18518	1.8
335.25766	24.0
337.27280	6.2
369.24158	4.3
399.19632	2.2
431.22693	5.7
489.35730	48.8
490.35992	1.9
491.37390	3.7
503.37177	4.0
515.37128	15.3
519.36688	3.8
521.38232	6.4
529.38739	3.6
537.37628	6.4
547.39856	35.6
548.40155	2.8
597.48035	2.4
611.45990	4.4
641.39850	2.9
659.41528	8.7
677.42126	1.8
691.33789	2.0
691.44025	12.0
709.46320	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.1
52.94074	0.1
55.01867	0.2
55.05500	0.2
62.01587	0.1
63.02384	0.4
65.03933	0.4
67.05502	0.6
69.03410	0.5
70.09702	0.4
73.77213	0.1
78.05818	0.1
78.40871	0.1
79.05474	0.7
83.04964	1.9
85.02881	0.5
86.42662	0.1
89.03904	4.7
93.03394	0.9
94.18652	0.1
95.04961	0.8
99.00817	0.3
107.04935	1.6
111.04426	3.0
112.04784	0.1
117.03368	5.7
117.42472	0.1
121.02863	0.5
123.04408	0.4
129.05438	1.4
135.04398	15.2
136.04729	0.3
137.02313	0.4
139.03877	2.0
145.02827	10.6
146.03154	0.3
147.04384	0.3
149.45930	0.1
152.78699	0.1
157.04927	1.6
160.04156	0.1
163.03879	100.0
164.02937	0.2
164.04222	2.2
175.06012	1.4
177.06946	0.1
181.04907	0.3
181.06387	0.1
186.05455	0.3
187.03806	0.1
197.05991	0.1
203.03380	0.1
205.06438	0.5
207.55054	0.1
217.07132	0.1
221.05898	0.1
223.07477	0.4
231.06328	0.2
233.05988	0.4
237.05446	0.1
245.08199	0.1
249.05280	0.1
250.05893	0.2
251.07059	1.2
252.07458	0.1
255.06366	0.2
261.05344	0.2
269.07999	0.8
273.06018	0.8
279.06491	1.6
283.05902	0.5
295.06091	0.5
296.06219	0.3
297.07513	1.8
307.05899	0.5
319.08127	0.7
323.05389	0.2
325.07028	1.8
337.09076	1.1
343.07947	0.4
355.10150	1.2
441.84613	0.1
447.11304	0.7
499.12289	2.8
500.12567	0.2
517.12836	0.3
600.01892	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	708.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.9
53.03925	2.8
55.01865	4.3
55.05501	18.6
57.03424	17.0
57.07054	2.7
58.54198	0.7
59.04975	1.9
60.03792	0.8
61.02916	3.7
65.03918	2.7
67.05491	67.5
68.05847	0.8
69.03416	5.3
69.07053	11.9
71.01305	0.9
71.04980	31.0
71.80922	1.2
73.02903	1.8
79.05479	36.3
80.05798	1.0
81.03402	56.4
81.07040	100.0
82.03739	1.0
82.07368	1.7
83.01314	1.0
83.04965	16.3
83.08601	28.7
85.02892	19.7
85.06524	10.1
87.04448	0.8
91.03937	1.7
91.05460	49.7
92.05805	0.9
93.07024	37.0
94.07373	1.0
95.04951	26.2
95.08580	17.7
97.02868	6.4
97.06506	10.3
97.10160	5.2
99.04418	1.2
99.08073	2.2
105.03359	1.5
105.07013	26.0
107.04937	7.2
107.08574	21.1
109.06518	6.3
109.10120	9.1
111.04409	2.9
111.08063	10.9
113.05979	3.4
115.05443	2.0
117.07001	6.6
119.08567	20.8
121.06498	4.1
121.10117	14.2
123.08002	3.8
123.11678	15.5
125.09599	2.9
127.03921	1.1
129.05447	0.8
129.06996	9.9
131.08540	16.3
133.06448	2.3
133.10104	30.1
134.10442	0.8
135.08038	2.2
135.11684	6.0
137.09631	2.2
139.11165	1.1
142.07759	2.7
143.96877	0.8
145.10114	5.3
147.08037	3.1
147.11661	15.4
148.12032	0.8
149.09587	7.9
149.13231	8.3
151.11150	6.9
153.12680	1.2
155.08505	1.1
157.10097	12.2
159.11682	5.8
163.11147	4.8
165.12743	2.5
167.14264	0.8
169.12114	1.3
173.11787	0.8
173.13165	1.4
175.11163	12.8
177.12703	3.1
183.13795	2.9
184.07315	1.1
187.13284	4.7
193.12209	32.7
193.13974	1.8
194.12544	1.0
195.13770	4.0
201.14745	1.3
207.13606	0.8
211.13255	26.4
213.14726	1.4
225.14766	2.0
227.12820	1.2
229.14149	1.1
243.15846	3.4
251.16466	1.1
251.78984	0.7
253.17982	3.6
257.17365	2.1
267.15875	31.6
267.18790	1.6
268.16122	1.6
269.17429	25.4
270.17670	1.4
283.15372	5.9
284.15637	5.4
285.16885	15.4
301.20050	18.6
343.22580	1.1
369.24194	1.6
387.25403	0.8
400.44772	0.8
417.26331	2.1
435.27377	28.2
436.27585	2.3
439.26270	1.3
443.27750	5.4
445.23950	0.9
449.28888	0.9
453.28436	60.0
454.28680	2.7
459.27417	0.9
460.27750	1.4
461.28897	88.2
462.29218	5.4
467.29868	10.0
479.30020	55.1
480.30194	4.1
491.26074	1.2
492.26584	1.6
493.25668	4.2
493.32245	2.3
511.32745	43.0
512.32892	2.4
709.28149	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	708.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83612	0.9
53.03928	5.0
55.01864	15.2
55.05225	1.4
55.05498	29.2
57.03149	1.4
57.03426	23.7
57.07055	1.9
59.04985	1.8
61.02912	8.4
64.20838	1.0
65.03920	3.0
67.05492	49.0
69.03411	9.8
69.07050	11.5
70.50917	4.1
71.01335	1.9
71.04970	8.4
73.02878	6.3
79.05477	43.8
81.03403	91.4
81.07040	40.6
81.07526	1.7
82.04181	4.5
83.01356	1.3
83.04963	29.3
83.08602	34.9
85.02884	30.5
85.03376	1.8
85.06521	3.4
87.04452	1.1
91.03909	2.6
91.05461	46.2
93.07024	33.1
95.04951	40.4
95.05573	1.9
95.08578	17.6
97.02877	9.8
97.06512	9.3
97.10149	16.1
98.07311	5.3
99.04445	2.5
99.08073	3.0
105.07005	28.1
107.04935	13.1
107.08584	16.5
109.02927	1.3
109.06493	8.0
109.10135	14.7
111.04427	5.8
111.08057	19.6
112.20345	1.0
112.96005	1.0
113.05944	5.1
115.05441	2.2
116.04700	10.0
117.07017	5.9
119.04911	1.4
119.08551	24.0
121.06477	4.3
121.10139	15.1
123.08059	8.9
123.11684	3.2
125.05967	1.3
125.09612	15.1
127.11198	1.6
129.05463	23.9
129.06963	16.0
131.08551	19.5
131.09438	1.7
133.06439	4.9
133.10104	19.9
135.08026	2.4
135.11656	8.0
137.09610	4.4
137.13306	1.2
139.11221	1.0
142.07768	4.2
143.07027	6.5
143.08470	1.0
145.10101	9.3
147.08011	6.1
147.11656	18.4
149.09587	9.9
149.13214	1.2
151.11076	1.2
153.09126	1.4
153.12733	4.7
157.08600	9.6
157.10114	19.3
158.05765	1.6
163.11153	15.0
165.12703	6.1
171.06522	3.0
171.10146	3.9
173.09593	3.2
173.11636	5.2
175.11140	22.9
181.12202	3.7
184.07361	2.2
185.08092	1.6
185.11743	1.4
189.11229	4.7
191.10664	4.2
193.12201	76.9
199.13229	15.0
200.14066	2.3
209.11731	10.2
210.12520	1.6
211.13260	100.0
212.13647	1.3
217.14272	1.2
218.75800	1.1
227.12756	14.2
229.14255	5.1
247.13188	1.4
249.14891	1.2
255.15839	3.6
265.14352	1.2
267.15869	31.7
283.15369	22.8
284.16003	1.4
285.16901	68.9
286.17084	1.2
301.16391	55.1
339.18021	1.8
409.25690	4.2
421.25790	1.5
427.26807	3.6
439.26880	15.5
441.25681	1.1
459.27176	3.4
475.26703	8.9
476.27460	2.4
477.28638	4.1
493.27899	43.3
494.28476	3.9
511.28937	63.9
512.29364	2.3
717.70056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.6
53.03931	7.4
55.01860	6.3
55.05497	33.7
57.03428	17.0
57.07057	2.8
61.02891	1.8
65.03934	5.6
67.05492	79.9
69.03415	19.1
69.03765	1.4
69.07057	21.6
69.07407	1.5
70.13039	3.9
71.01339	1.1
71.04990	8.4
73.02897	2.1
73.39319	1.0
79.05476	64.6
81.03401	100.0
81.07040	78.1
82.07356	1.1
83.04964	34.6
83.08607	28.4
85.02895	17.8
85.06541	3.2
85.65466	0.9
91.05465	53.9
92.05811	1.0
93.07026	63.8
95.04948	30.8
95.08588	50.3
97.02878	21.2
97.03512	1.0
97.06503	7.7
97.10160	7.7
97.35026	1.0
99.04461	4.1
99.08054	2.5
101.02378	1.2
103.05450	1.6
105.04525	1.9
105.07011	40.7
107.04931	8.2
107.08574	33.2
109.02866	10.6
109.06499	7.7
109.10131	22.5
109.10839	1.3
111.04434	14.9
111.08070	10.6
113.05981	1.5
115.05459	2.9
117.06992	11.8
118.39066	1.1
119.04913	1.8
119.08561	31.5
121.06509	3.7
121.10119	28.0
121.10934	1.9
123.04445	3.1
123.08060	5.1
123.11686	8.4
125.05998	1.3
125.09643	4.3
127.03880	10.0
128.06197	2.2
129.05476	7.2
129.06976	15.4
131.04889	1.7
131.08539	25.1
133.06471	3.1
133.10100	20.1
135.04413	2.5
135.08051	3.5
135.11662	15.9
137.09589	2.9
137.13271	3.3
139.04031	0.9
141.06987	3.8
142.07776	2.3
143.08568	6.4
145.05244	1.1
145.06468	2.8
145.08432	1.0
145.10092	14.5
147.04417	1.9
147.08017	4.9
147.11658	23.1
149.06012	1.9
149.09581	8.0
149.13220	5.9
151.07565	1.0
151.11201	2.7
151.14777	1.0
153.06885	1.2
153.12761	3.8
155.08574	4.1
157.06450	1.8
157.10106	14.0
159.04388	2.2
159.08118	1.7
159.11667	9.0
161.06030	3.2
161.13220	5.4
163.03925	4.0
163.07465	1.5
163.11154	7.8
163.14807	2.8
165.05508	1.1
165.12761	4.4
167.08618	1.9
169.06520	1.1
169.10106	1.6
171.08060	2.5
171.11693	4.3
173.02335	1.8
173.05946	13.8
173.09610	2.7
173.13281	5.1
175.03912	1.2
175.07564	1.8
175.11169	12.1
175.14903	2.1
176.92091	1.0
177.12665	1.2
179.08575	1.2
181.06522	2.5
181.12198	5.7
183.08028	1.4
183.11722	3.6
185.05962	1.9
185.09599	1.1
185.13286	2.1
187.03859	2.3
187.07591	2.9
187.11235	1.9
187.14903	3.6
189.05489	2.6
189.12750	1.2
191.10603	6.8
193.12204	43.1
194.12602	1.2
195.08136	1.2
195.11719	1.6
197.13266	1.4
199.03885	2.4
199.07582	5.0
199.14825	1.6
201.05490	6.0
201.12712	1.5
207.11797	1.3
209.11624	1.6
211.07524	3.4
211.13240	58.3
212.13599	1.3
213.05415	4.8
213.09085	2.3
213.16423	1.1
215.07060	1.9
217.04942	13.1
225.09183	1.7
227.06996	2.8
227.12759	8.8
229.05067	1.3
229.14250	4.7
234.32202	1.0
235.13380	1.3
241.19608	1.4
243.13631	1.3
243.21086	3.1
248.01436	1.0
249.14777	1.7
259.20544	3.1
261.22107	12.6
267.13602	2.2
267.15961	12.6
273.22049	1.1
277.21689	2.4
279.23120	1.1
283.15488	3.6
285.16977	16.9
293.11795	1.2
301.16632	1.1
301.21695	2.3
301.25098	1.3
303.23209	1.8
311.12827	4.6
311.16089	1.4
313.14236	2.4
315.23264	1.3
317.24979	1.6
323.23651	1.3
327.23297	1.4
329.13699	5.3
335.25754	57.6
336.26157	2.4
337.14120	2.3
337.27341	4.5
351.23135	2.9
355.14960	7.9
357.17108	1.5
369.24075	4.9
373.16269	1.4
385.16455	9.3
387.25244	4.7
405.26248	2.2
411.19730	1.9
429.20276	13.8
431.20779	1.2
443.27899	2.1
447.19449	1.1
453.33652	1.5
461.28937	3.4
471.34659	1.4
479.30014	3.1
527.37103	10.7
530.39099	1.7
543.36169	1.4
545.38330	64.6
546.38898	3.4
561.36377	1.4
569.37994	1.2
597.36084	1.3
615.36676	2.7
633.37488	2.7
635.39099	1.4
653.40149	4.8
661.40582	1.5
671.41174	4.4
679.41833	2.9
689.42010	29.2
707.41644	23.0
708.41669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80603	1.2
53.03938	8.1
55.01868	7.1
55.05502	32.0
57.03428	15.6
57.07054	3.4
59.04979	1.3
61.02914	1.6
63.20458	1.1
65.03904	2.4
67.05494	77.8
69.03080	1.5
69.03419	20.7
69.07056	23.4
70.35835	5.0
71.01345	1.6
71.04978	7.5
73.02911	2.3
76.90090	1.2
77.03883	1.1
79.05479	55.9
80.05801	1.4
81.03405	100.0
81.07041	80.5
82.03747	1.9
83.04492	2.1
83.04968	32.8
83.08604	28.3
85.02894	18.1
85.06528	4.7
87.04472	1.4
87.94228	1.0
91.05464	53.4
93.07029	55.7
95.04958	34.7
95.08594	49.5
97.02879	18.2
97.06519	8.5
97.10162	8.6
99.04449	5.3
99.08072	4.3
101.02378	1.2
103.03938	1.5
105.07014	40.5
106.07325	1.4
107.04948	9.9
107.08579	33.6
109.02868	10.4
109.06503	7.4
109.10142	25.0
111.04427	17.5
111.08059	11.8
113.05990	2.9
115.05440	3.0
117.06992	15.6
119.04902	1.7
119.08566	35.0
121.06470	4.9
121.10120	28.7
123.04404	2.7
123.08046	6.3
123.11677	8.7
125.05939	1.6
125.09554	5.9
127.03897	9.1
128.06221	2.5
129.05504	7.9
129.06984	16.3
131.04854	1.8
131.08546	27.6
133.06454	4.9
133.10110	21.7
135.04428	1.8
135.08023	3.7
135.11678	17.2
137.05963	1.2
137.09593	3.3
137.13203	1.6
139.11131	1.8
141.06937	3.9
142.07768	2.4
143.08562	8.6
145.06468	2.2
145.10110	18.9
147.04356	1.7
147.08014	6.8
147.11665	25.8
149.05956	2.0
149.09572	10.8
149.13248	6.8
151.07526	1.2
151.11151	2.9
153.06934	2.1
153.09036	1.4
153.12749	5.7
155.08513	5.0
157.06467	2.2
157.10110	19.6
159.08037	3.4
159.11665	12.5
161.05946	2.1
161.09572	2.6
161.13177	7.7
163.03848	2.6
163.11151	9.3
163.14781	2.6
165.12732	4.7
167.08553	1.7
169.10117	4.8
171.07933	1.2
171.11653	4.1
173.02275	1.6
173.04468	1.2
173.05910	2.3
173.09612	3.1
173.13220	6.4
175.03796	1.7
175.11166	15.8
175.14774	2.1
177.12711	1.2
181.10114	3.7
181.12164	5.9
183.07967	1.1
183.11597	3.2
184.07349	1.7
185.09538	2.6
185.13206	4.7
187.03918	2.4
187.07527	1.4
187.11165	2.6
187.14828	3.1
189.05469	1.7
189.12729	1.9
191.10596	6.2
193.12212	39.3
194.12531	1.6
195.11707	2.0
197.09552	2.2
197.13150	2.8
199.03864	2.1
199.07469	1.9
199.11134	1.7
199.14787	2.1
201.05392	2.1
201.08972	1.5
201.12669	2.2
209.11536	1.3
209.13326	2.5
211.07671	1.3
211.11453	2.0
211.13240	56.9
212.13710	1.9
213.05453	2.8
213.14676	1.2
213.16505	1.2
217.04919	1.9
227.10570	1.9
227.12672	12.3
229.14337	4.4
243.21118	3.5
249.14798	2.2
259.20508	3.1
261.22083	12.3
263.23752	1.2
267.15912	19.8
273.14734	1.2
277.21646	1.8
279.23227	2.2
283.15363	5.4
285.16898	23.8
285.21909	1.8
289.21707	1.5
297.22095	1.3
301.21725	2.0
301.25177	1.8
303.23035	2.4
309.16959	1.8
311.12836	2.2
315.23065	2.1
317.24777	4.2
319.22476	1.2
323.23187	1.2
327.15628	1.5
327.23083	2.0
333.23911	1.2
335.25778	34.3
336.26205	1.8
337.14084	2.0
337.27322	7.3
345.23999	1.8
351.23157	4.8
352.23480	1.4
355.15472	5.0
357.24060	1.3
363.25244	1.7
369.24149	9.1
387.25302	5.3
405.26254	3.0
411.19632	2.4
427.19510	3.1
429.21149	15.6
439.27420	1.2
443.27716	3.9
453.33716	1.5
461.28836	4.0
479.29895	4.7
527.37256	15.1
543.36255	2.1
545.38324	56.5
546.38635	5.5
563.39264	1.3
597.36322	1.6
611.38159	1.9
615.37769	2.0
629.39917	1.4
630.26050	1.3
633.37976	1.2
635.38971	3.9
653.40405	11.5
660.87628	1.3
671.41553	8.9
679.41705	1.9
689.42194	28.8
690.41968	4.3
707.42096	16.4
708.41577	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95481	1.1
51.02371	1.9
52.16329	1.1
53.03933	7.2
55.01857	6.6
55.05499	33.5
57.03154	1.1
57.03428	20.1
57.07064	2.8
60.04113	1.0
61.02903	2.0
65.03923	4.2
67.05490	83.2
67.45850	1.1
69.03415	25.7
69.07054	25.6
70.04294	4.8
70.04704	2.0
71.01331	1.9
71.04963	10.1
73.02902	1.3
78.66930	1.1
79.05478	61.6
81.03402	100.0
81.07037	84.2
82.07357	1.6
83.04961	35.7
83.08599	26.8
85.02887	21.9
85.06516	3.5
87.04453	1.4
91.05460	59.1
92.40022	1.1
93.03396	1.1
93.07023	63.7
94.07342	1.2
95.04945	35.3
95.08588	55.9
97.02874	21.6
97.06512	10.7
97.10135	9.1
98.21376	1.6
99.04440	6.3
99.08056	2.3
103.03931	2.2
103.05455	1.9
105.07011	42.5
107.04923	11.4
107.08572	37.2
109.02843	10.8
109.06501	7.7
109.10135	24.9
111.04420	17.1
111.08064	15.3
113.05964	3.2
115.05431	3.2
117.07006	12.0
119.08551	36.6
121.06471	2.8
121.10122	31.3
121.10963	2.5
123.08039	4.3
123.11693	8.8
125.05970	1.2
125.09603	3.5
127.03890	9.6
128.06207	1.3
129.05446	11.3
129.06952	14.4
131.08543	27.4
133.06470	5.0
133.10097	22.7
135.08011	2.1
135.11665	16.8
137.09561	3.5
137.13225	3.2
141.06970	2.6
142.07764	3.6
143.08501	5.7
145.06468	3.1
145.10089	16.6
147.08023	5.4
147.11647	23.2
149.09622	9.1
149.13208	6.2
151.11139	1.8
153.06975	1.4
153.12744	4.6
155.08490	2.5
157.10097	18.4
159.08067	2.2
159.11682	12.2
161.09615	2.1
161.13202	7.4
163.03900	2.0
163.11147	7.8
163.14766	2.4
165.12758	6.3
167.08588	1.8
167.47476	1.1
169.10072	4.1
171.11685	3.5
173.09631	1.7
173.13251	6.8
175.11143	14.6
175.14810	2.5
177.12715	1.6
181.10114	1.8
181.12172	6.5
183.11659	3.4
184.07266	3.5
185.13254	4.0
187.11230	1.5
187.14783	3.1
189.11159	2.7
191.10646	5.4
193.12206	50.4
195.13821	1.3
197.13261	2.9
199.14793	1.9
201.16473	1.4
203.03314	1.3
209.11569	2.6
209.13304	1.9
211.13242	81.3
212.13536	1.4
227.12651	10.8
229.14258	7.3
243.21136	2.1
249.14818	2.5
259.20520	1.6
261.22076	14.0
267.15839	16.4
269.15475	1.2
277.21701	1.4
283.15302	6.0
283.20712	1.2
285.16898	23.7
286.17310	1.6
289.21384	1.4
301.16586	2.4
301.21375	1.4
303.23206	3.0
303.65823	1.2
317.24680	3.6
319.22607	1.4
335.25726	70.6
336.26053	3.6
337.16589	2.4
337.27441	5.8
345.24225	1.8
351.23016	2.7
355.17291	5.2
369.24222	7.0
387.25327	5.8
405.26154	3.9
411.19952	4.3
425.26660	1.9
427.19696	1.4
429.21158	21.2
443.27643	2.7
453.33514	1.7
461.28653	4.2
471.35312	1.6
479.30029	2.8
527.37195	16.7
545.38287	77.2
546.38379	6.9
563.38538	1.7
595.47302	1.4
609.44714	1.6
611.41119	1.3
635.39325	2.7
641.40588	1.8
653.40790	6.7
659.41559	1.4
671.41528	6.2
689.31323	2.1
689.42456	32.8
690.42255	3.4
707.42828	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	707.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30571	0.2
55.01835	0.6
55.05477	0.2
65.03910	0.3
67.05465	0.6
69.03402	0.4
71.69753	0.3
81.03359	0.3
83.04964	1.4
85.02841	0.5
89.03879	0.2
93.03356	0.5
95.04929	1.2
97.02863	0.2
105.03332	0.3
107.04907	0.2
109.02826	0.5
111.04420	1.3
121.02817	0.5
123.04401	1.6
127.03846	0.3
129.05473	0.4
131.04878	0.3
133.02823	1.1
134.03545	0.3
134.21965	0.2
135.04410	1.0
137.02345	0.9
139.03853	0.8
143.58577	0.2
143.74068	0.2
145.02765	0.9
147.04375	0.5
151.03848	0.2
153.06938	0.5
157.04959	0.3
158.26680	0.2
159.04372	0.5
161.02330	1.1
161.03497	0.2
162.03046	0.3
163.03879	9.3
165.01740	0.2
165.05626	0.4
165.06964	4.5
168.05609	0.2
169.06401	0.3
173.02312	3.4
175.03925	0.3
176.06151	0.3
177.06931	0.6
179.03288	0.5
181.06415	0.6
183.07907	0.4
187.03873	1.7
193.06438	4.4
195.08014	0.4
197.05923	1.1
203.05017	0.5
203.39235	0.2
205.06406	1.7
209.06050	0.2
211.07515	2.4
215.06932	0.2
220.05093	0.2
221.05930	20.4
222.06319	0.7
223.07550	1.2
225.05386	1.3
227.33070	0.2
231.04683	0.2
233.05936	1.3
237.05495	0.3
238.06081	0.4
239.06982	5.8
248.04573	0.3
249.05418	29.0
250.05962	1.6
251.07018	1.6
253.04845	0.9
259.03793	1.4
261.05334	0.5
266.05640	0.8
267.06458	7.1
268.06766	0.3
269.07797	0.4
277.04898	17.0
278.05426	1.2
279.06473	5.4
281.04382	0.6
287.13400	0.2
294.05130	0.6
295.05957	52.7
296.06345	2.2
297.07446	1.3
305.04349	5.3
306.04782	0.3
307.05969	0.7
313.07065	0.2
323.05432	100.0
324.05740	3.6
341.06570	2.4
451.09659	0.3
479.09668	0.3
497.10706	21.4
498.11279	1.4
500.86945	0.2
515.11493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.1
55.05492	0.2
56.05021	0.6
57.03419	0.2
57.07045	0.3
58.06297	0.1
58.06620	0.4
59.07388	0.1
60.08149	6.0
61.08467	0.1
67.05489	0.7
69.03413	0.2
69.07037	0.2
70.06570	0.1
70.22708	0.3
71.07355	3.2
71.08589	0.1
75.32417	0.1
79.05472	0.6
80.97439	0.1
81.03396	0.8
81.07030	0.9
83.04955	0.3
83.08585	0.2
84.96713	0.1
85.02880	0.2
85.10165	0.1
86.09687	30.4
87.04454	0.3
87.10026	0.3
91.05470	0.6
93.07023	0.5
95.04946	0.3
95.08597	0.5
97.02865	0.2
97.06495	0.1
97.10156	0.1
98.98442	2.7
104.10716	2.4
104.76619	0.1
105.07014	0.3
107.04955	0.1
107.08579	0.2
109.02804	0.1
109.06467	0.1
109.10143	0.3
111.04411	0.1
111.08072	0.1
116.99462	0.1
119.08552	0.3
121.06516	0.1
121.10125	0.2
123.08092	0.1
124.99974	21.5
126.00321	0.1
127.03892	0.1
127.82193	0.1
129.06973	0.1
131.08524	0.2
133.10010	0.1
135.11723	0.1
137.09558	0.1
143.01028	0.4
145.10098	0.1
147.11652	0.2
149.09537	0.1
153.01805	0.1
157.10054	0.1
163.01474	0.1
163.11180	0.1
166.02591	0.2
175.11108	0.1
180.81856	0.1
184.07303	100.0
185.07669	1.1
191.10663	0.1
193.12192	0.2
211.13222	0.4
211.50191	0.1
267.15900	0.1
277.21500	0.1
282.30042	0.1
285.16855	0.2
299.14502	0.1
329.20480	0.1
335.25729	0.4
388.63269	0.1
411.63470	0.1
429.21262	0.1
450.22623	0.1
496.33960	0.2
527.37079	0.1
545.38379	0.4
638.57916	0.1
689.42322	0.2
706.46405	8.7
707.47162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63591	0.4
50.80811	0.4
55.01858	3.4
55.05501	12.3
57.03146	0.6
57.03428	12.7
57.07057	0.6
59.04974	0.8
61.02908	1.5
64.49570	0.4
65.03921	1.2
67.05122	0.9
67.05491	18.0
68.05818	0.6
69.03415	4.5
69.07061	5.5
71.01334	0.9
71.04975	3.7
72.08102	0.5
73.02921	0.8
77.03909	0.4
79.05477	20.5
80.05784	0.5
81.03403	81.4
81.07040	19.7
81.07525	0.9
82.03730	1.4
82.07399	0.5
83.04963	11.3
83.08602	24.1
85.02889	11.4
85.06529	1.9
91.05464	25.2
92.05787	0.5
93.07025	15.4
95.04950	28.1
95.08585	7.9
96.47391	0.4
97.02886	4.4
97.06515	3.5
97.10144	4.8
99.04438	1.2
99.08075	0.9
103.05435	0.5
105.03378	1.9
105.07012	18.9
106.07355	0.5
107.04932	8.7
107.08576	8.9
108.25007	0.4
109.02868	0.9
109.06503	5.4
109.10136	4.5
111.04401	2.5
111.08057	9.1
113.05999	1.4
115.05427	1.3
117.07010	2.9
119.04922	1.3
119.08562	18.0
121.02907	0.4
121.06503	4.3
121.10118	9.0
123.04404	0.9
123.08020	3.2
123.11691	1.3
125.05907	0.9
125.09613	3.9
127.03902	1.0
128.06107	0.6
129.06979	10.1
130.07240	0.5
131.04916	1.1
131.08543	11.7
133.06483	3.8
133.10106	10.5
135.08025	1.8
135.11688	2.5
137.05922	0.5
137.09592	1.8
141.06981	0.6
142.07790	2.5
143.08504	1.3
145.06458	4.1
145.10091	4.5
147.04419	0.8
147.08031	4.5
147.11658	11.4
148.11946	0.6
149.09590	7.0
151.11194	1.1
153.09033	1.4
153.12733	0.8
155.08537	0.6
157.06467	0.8
157.10104	12.8
159.08032	0.9
159.11716	0.6
161.09554	1.5
163.11153	4.6
165.12680	2.4
169.06407	0.9
169.10150	0.8
171.08028	1.1
171.11694	1.3
173.09581	1.1
175.11156	13.5
176.11501	0.5
177.05431	0.4
179.10619	0.7
181.10214	0.5
181.12242	0.6
183.07947	0.5
183.11670	0.5
184.07326	0.8
185.13245	0.9
189.09348	0.6
189.11198	1.6
191.10609	0.9
193.12210	36.3
194.12537	1.6
195.11678	1.3
197.13205	0.6
199.11188	0.5
205.12178	1.0
209.11642	2.5
211.11234	1.1
211.13251	19.0
213.12689	0.6
215.14278	0.7
223.11305	0.5
223.13277	0.9
227.12569	2.3
229.14256	1.5
231.14027	0.5
233.15404	1.1
237.12657	1.0
237.14832	0.6
249.09505	0.5
249.14767	2.7
255.13757	2.1
259.54608	0.4
265.14294	1.1
267.15860	100.0
268.16159	4.8
273.14813	4.0
283.15326	11.2
284.15671	0.5
285.16916	20.3
286.17358	1.1
299.14709	2.2
301.16385	1.5
309.16904	0.5
317.79877	0.5
323.19104	0.5
339.23090	1.1
341.20874	1.2
349.21603	2.8
357.23904	0.9
367.22601	8.7
385.23648	10.0
386.24033	0.6
403.24777	2.2
405.23923	1.3
415.24771	0.9
423.25452	0.7
427.35272	0.4
433.25778	13.0
434.26157	1.1
441.26334	6.1
459.27356	70.2
460.21915	0.5
460.27795	6.4
477.28397	44.3
478.28830	4.6
491.25888	5.5
492.26511	0.5
501.28195	0.5
509.27042	6.7
510.27792	0.7
519.29236	1.1
603.31451	0.8
621.32312	0.5
692.23218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01863	14.7
55.05502	23.4
57.03428	22.7
57.07068	2.7
59.04984	3.7
61.02921	7.3
62.06085	3.1
63.24664	0.6
65.03912	1.4
66.04694	0.6
67.05494	27.8
69.03413	5.5
69.07063	7.2
69.53030	1.7
69.53455	3.4
71.01309	2.3
71.04985	4.6
73.02901	4.8
73.06532	0.7
79.05481	32.1
80.05795	0.6
80.06226	0.6
81.03406	26.3
81.07044	25.7
82.03735	0.6
82.04184	3.8
82.07364	0.6
83.00848	0.6
83.01328	9.4
83.04967	18.1
83.08607	16.7
84.02077	1.6
84.05741	0.6
84.08934	0.6
85.02893	11.5
85.06509	1.7
85.06982	0.6
86.09675	1.2
87.04397	0.6
91.03937	3.1
91.05464	22.3
92.05749	0.6
93.07030	31.6
93.83244	0.5
94.04169	0.9
94.07824	0.9
94.71065	0.5
95.04951	18.1
95.08592	11.0
96.05738	1.0
97.02310	0.7
97.02876	9.0
97.06522	8.8
97.10154	10.5
98.06805	0.5
98.07301	4.7
98.20676	0.9
99.04423	3.2
99.08073	1.2
100.05206	0.5
101.05978	1.0
103.05455	0.7
105.03343	0.7
105.07014	13.6
107.04239	0.6
107.04945	11.1
107.08577	20.2
109.02856	1.7
109.06501	9.2
109.10147	6.8
111.04413	4.7
111.08061	5.2
113.05981	1.0
115.03890	0.5
115.05409	1.0
116.04701	10.2
117.05457	1.0
117.06998	10.4
119.04941	0.6
119.07719	0.7
119.08566	13.7
121.06493	5.1
121.10119	10.7
123.04430	1.0
123.08049	12.9
123.11593	0.5
124.08808	0.5
124.99981	0.6
125.05945	2.1
125.09603	12.9
127.03867	1.1
127.11160	1.0
128.06186	0.8
129.05460	23.4
129.06908	4.6
130.07730	2.2
131.04887	1.2
131.08562	6.3
133.06456	0.7
133.10106	6.8
134.10982	0.6
135.08031	4.7
135.11668	15.7
136.08855	0.7
137.05908	0.7
137.09604	3.2
139.07581	1.0
139.11119	0.7
142.07750	0.6
143.07002	5.0
143.08081	0.6
143.08571	0.8
143.10654	1.0
145.06467	1.1
145.10100	17.7
147.08003	3.7
147.11670	4.4
149.05879	0.6
149.09607	2.8
151.11136	0.7
153.09056	1.6
153.12720	4.4
155.08496	1.9
157.08563	10.5
157.10065	3.2
158.05713	1.4
159.11652	0.7
161.09595	1.1
163.11157	29.8
164.11662	1.0
165.09090	0.7
165.12732	1.1
171.06499	1.2
171.10187	3.4
173.09589	3.7
173.11697	1.8
175.11147	2.2
181.12189	5.2
184.07277	3.3
185.11775	0.8
189.09425	0.8
189.11162	6.6
190.04727	0.5
190.09912	0.5
191.10629	4.9
192.11374	0.7
193.12251	4.1
199.09596	0.6
199.13269	5.3
200.14024	2.2
201.14804	1.2
207.13808	0.8
209.11684	10.4
210.12271	1.3
211.13307	2.5
223.13342	0.7
227.12750	14.2
227.15010	0.7
228.13153	0.6
229.14249	1.5
255.15872	2.3
265.14337	1.1
267.15887	8.3
268.16245	0.8
281.17355	1.2
282.56726	0.5
283.15353	100.0
284.15756	4.6
285.16922	0.9
298.17310	0.6
301.16403	67.7
302.16818	3.0
311.21927	0.6
337.16345	3.3
365.19492	1.6
379.21011	0.5
383.22009	1.4
407.24133	1.9
425.25244	2.4
436.24347	0.9
437.25266	6.6
446.26529	0.5
453.78619	0.5
457.25626	2.1
459.27527	0.9
463.26843	0.8
473.28793	2.0
474.25909	2.4
475.26813	8.0
477.28348	1.9
491.26129	11.3
492.27054	7.3
493.27771	1.6
509.27377	78.8
510.27591	5.7
527.28406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	1.5
53.03938	2.7
54.54890	0.5
55.01862	4.4
55.05498	16.6
57.03147	0.7
57.03426	11.4
59.04984	2.7
60.41685	0.5
61.02916	4.2
65.03919	1.2
67.05490	19.2
68.05826	0.5
69.03416	4.0
69.07053	5.5
71.01334	1.4
71.04989	3.8
71.79193	0.9
73.02901	1.3
77.67068	0.4
79.05476	18.3
81.03401	39.6
81.07035	24.7
81.07527	0.7
83.01338	0.9
83.04961	11.8
83.08601	22.1
85.02888	17.3
85.06524	2.8
86.02473	0.4
86.09705	0.7
91.03951	2.0
91.05463	28.1
92.05781	0.6
93.06596	0.5
93.07025	18.8
95.04946	19.5
95.08575	8.3
97.02871	6.8
97.06499	4.5
97.10172	2.7
99.00794	12.8
99.04431	1.6
99.08038	1.3
100.84900	0.5
103.05462	1.2
105.03390	1.0
105.07008	22.0
107.04930	10.1
107.08572	10.2
109.02850	7.1
109.06506	4.9
109.10142	5.3
111.04440	3.5
111.08062	9.4
113.06002	2.2
115.03922	2.1
115.05375	0.9
117.06982	3.0
119.04902	0.8
119.08560	16.2
121.02843	1.5
121.06478	6.8
121.10113	7.6
123.04395	2.2
123.08054	2.6
123.11694	3.4
125.09629	1.6
127.03887	2.8
127.07603	0.6
128.06215	1.4
129.06982	6.6
131.08534	7.7
133.06447	2.7
133.10097	33.0
135.08031	0.9
135.11682	3.3
137.05981	1.2
137.09605	1.9
139.07532	2.0
142.07779	1.5
143.08557	3.4
145.06467	1.3
145.10065	3.3
147.04390	0.9
147.07986	3.5
147.11632	8.0
149.09566	4.3
151.11131	8.1
155.08559	0.9
157.10074	8.9
157.16814	0.5
161.09586	12.4
163.11105	4.0
165.12769	2.2
171.08000	3.4
173.09589	0.8
175.11147	9.9
179.10622	8.0
181.12241	1.4
184.07301	1.8
189.09073	6.7
191.10687	0.9
193.12202	27.4
194.12561	1.0
197.11665	2.4
207.10138	2.4
209.11746	2.1
211.13249	42.0
212.13498	1.3
219.13780	1.5
225.11157	7.7
227.12796	2.2
229.14253	0.6
243.12236	1.9
249.14737	0.7
262.71030	0.5
265.14343	1.2
267.15872	17.1
281.13754	4.0
283.15335	8.9
285.16885	39.0
286.17340	0.9
299.14832	57.0
300.15216	1.2
301.16357	2.3
393.13516	0.6
433.74933	0.5
445.25775	1.5
459.27359	1.7
463.26456	0.8
473.25336	3.0
477.28455	0.8
491.26312	20.4
492.26974	0.9
495.29541	1.3
509.27383	100.0
510.27780	4.4
667.63055	0.5
678.67505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.3
51.02367	0.5
51.82907	0.1
53.03934	3.5
55.01855	0.5
55.05500	0.6
57.03420	0.7
61.02913	0.4
67.05487	0.5
69.03075	0.3
69.03417	3.8
70.27417	0.9
71.04991	1.2
73.02901	2.3
77.03880	0.9
79.05467	0.7
81.03403	5.5
81.07036	0.5
83.04957	1.0
83.08596	0.4
85.02890	8.0
86.09708	0.3
87.04453	0.4
91.03889	0.2
91.05439	0.9
91.81916	0.2
93.07018	0.5
94.70647	0.2
95.04950	5.8
95.08580	0.3
97.02871	3.9
97.06516	0.2
98.20789	0.2
99.04441	8.4
101.02345	0.2
103.03928	3.4
103.05417	0.2
104.04933	0.2
105.03372	100.0
106.03706	1.7
107.04949	0.5
107.08585	0.5
109.02861	9.5
111.04448	0.2
115.03925	0.4
117.06992	0.3
119.04955	0.2
119.08570	0.5
120.08098	0.3
121.02829	1.0
121.06497	0.3
121.10096	0.3
122.06031	0.9
123.02786	0.2
123.04408	0.7
127.03893	18.5
128.04216	0.2
133.10167	0.3
135.04440	0.4
135.11691	0.4
137.02309	0.9
145.02879	0.3
145.04936	5.2
145.10025	0.2
146.05920	0.3
147.04372	0.5
149.05972	0.2
152.07050	0.3
153.01796	0.2
157.04944	0.4
159.65288	0.2
161.06023	0.2
163.03877	0.4
163.05975	0.5
163.11140	0.3
169.04924	0.6
169.06430	0.5
173.06099	0.2
177.05461	0.6
184.07271	0.4
187.06044	1.5
189.05405	0.5
193.12347	0.2
196.07590	0.3
197.05911	0.4
199.06064	0.4
201.05399	0.2
205.07097	0.7
209.08012	0.2
209.11720	0.5
214.08615	0.2
215.06998	0.9
219.06613	0.2
224.07016	0.2
225.05478	0.3
227.07108	0.2
227.12744	0.4
229.07071	0.8
235.06001	0.3
238.08571	0.3
242.08052	3.2
243.06480	1.5
247.08139	0.2
253.07047	1.0
254.08063	0.2
256.09641	51.3
257.09900	1.3
261.07562	0.4
266.08087	0.2
267.15869	0.5
271.05841	0.2
271.08142	2.5
283.15314	1.1
287.05493	0.3
289.09259	0.8
299.14914	0.3
301.16403	0.2
302.04028	0.2
346.10754	1.1
364.11768	0.6
373.11392	0.2
382.12848	0.3
385.23581	0.2
397.11502	0.4
399.10565	0.2
401.23849	0.2
415.12408	0.7
418.14832	0.3
433.13770	0.2
459.27167	0.4
477.28064	0.4
491.26202	0.8
509.27185	0.7
549.16260	0.2
567.16913	0.2
639.26947	0.2
652.19513	0.5
670.20514	0.4
688.21460	0.2
706.23102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03944	2.8
55.01866	3.4
55.05501	14.1
57.03430	5.1
57.07053	1.9
57.09180	0.5
59.04976	1.1
61.02914	10.2
64.32378	0.5
65.03916	0.9
67.05493	22.3
67.53111	0.5
69.03414	8.9
69.07056	8.4
70.06557	0.6
71.01331	0.9
71.04982	2.9
71.18957	0.9
71.19291	1.1
73.02902	5.1
79.05480	18.0
80.05801	0.5
81.03406	19.1
81.07041	21.6
83.04965	5.7
83.08147	0.8
83.08610	9.0
85.02893	11.0
85.06526	1.5
87.78883	0.5
90.60978	0.6
91.03951	4.7
91.05463	19.6
93.07028	17.4
95.04939	8.1
95.08587	13.2
97.02876	9.1
97.06512	3.5
97.09560	0.7
97.10156	8.3
99.04421	2.0
99.08076	0.6
99.59412	0.6
101.02347	1.2
103.05441	0.8
105.03391	1.3
105.07009	17.1
106.07320	0.8
107.04951	2.6
107.08572	11.1
109.02846	2.4
109.06499	2.5
109.10141	8.1
111.04415	3.3
111.08080	3.6
113.05993	0.7
115.03899	0.7
115.05441	1.4
116.06239	0.6
117.06998	9.2
119.08555	13.1
119.09385	0.8
121.06509	2.9
121.10113	7.2
123.08040	2.6
123.11684	2.3
124.63420	0.5
125.09600	5.9
127.03889	3.7
128.06187	1.6
129.05513	1.1
129.06984	8.3
130.07767	0.6
131.08545	13.7
133.06476	2.0
133.10101	9.7
135.08058	2.9
135.11662	4.6
137.09619	1.2
141.06941	3.4
142.07750	2.0
143.08530	9.3
145.06500	2.7
145.10101	13.1
147.08017	2.1
147.11665	6.9
149.05962	0.6
149.09579	2.6
149.13234	1.5
151.07535	0.6
151.11162	1.0
153.09068	1.0
155.08537	5.6
156.09164	0.7
157.06465	1.2
157.10075	9.5
159.08067	2.2
159.11664	8.0
161.09595	1.5
161.13206	2.9
163.11163	3.2
163.14819	0.7
165.07040	0.8
167.08510	2.3
169.10114	5.3
170.10721	0.7
171.08057	1.8
171.11641	7.4
173.04399	1.7
173.09599	2.5
173.11748	1.4
173.13255	5.2
175.07562	0.7
175.11165	2.3
175.14810	1.7
177.12637	0.8
179.08528	1.2
180.09393	0.8
181.10098	4.1
181.12120	0.7
183.08110	0.7
183.11661	5.5
185.09639	1.5
185.13232	5.0
187.11154	2.0
187.13368	0.6
187.14845	2.4
189.09254	0.7
189.11165	1.8
189.12741	1.4
189.16441	0.9
193.10089	1.8
193.12219	6.6
195.11671	3.6
196.12254	0.6
197.09613	1.6
197.13257	4.1
199.11162	1.2
199.14821	2.5
201.12796	1.1
201.16370	0.7
207.11696	1.1
209.09694	0.8
209.13219	3.2
211.11255	0.6
211.13121	6.8
211.14836	1.6
213.12727	1.1
213.16278	1.0
215.14311	1.0
219.11603	0.8
221.13261	1.4
222.13884	0.5
223.14809	1.7
225.12746	0.8
225.16432	0.8
227.12685	4.4
229.14368	2.0
231.21196	0.7
233.13205	0.7
235.14847	1.1
237.12790	1.1
237.16406	1.2
239.14346	0.7
239.18010	1.0
241.15869	0.8
241.19519	2.3
247.16946	0.9
257.19006	0.8
259.20578	5.4
267.15836	3.0
275.20184	0.9
283.15060	1.0
283.20612	2.2
285.17026	2.1
285.22089	0.9
295.05859	0.6
297.22037	2.2
299.20438	0.8
299.23492	3.7
301.21555	1.2
311.20059	0.8
313.21698	0.8
315.23181	1.7
321.22043	1.0
325.21579	1.3
327.23111	0.7
329.21060	0.8
331.23022	0.7
333.24316	3.8
339.23157	1.8
343.22510	0.7
345.24332	0.6
349.21371	1.0
355.17685	0.8
357.24310	1.8
367.22614	1.4
369.23700	0.8
385.24066	0.8
403.24774	1.4
405.31494	0.6
415.29785	1.3
417.26270	0.8
421.25821	2.4
423.32605	1.1
429.21024	1.3
433.31061	5.0
435.27582	3.1
441.26816	0.7
451.32010	7.1
469.32883	3.9
475.30765	0.7
489.33713	0.6
499.34158	0.8
507.34766	1.8
515.37256	1.3
523.34155	0.8
525.35687	21.2
526.36023	1.5
541.35101	1.3
543.36725	100.0
544.37054	10.7
559.35138	0.9
561.36768	0.6
567.36395	1.1
573.37561	0.7
585.37598	2.1
633.37598	1.7
639.39276	0.7
651.38782	3.5
669.39856	4.4
687.40698	7.8
688.41522	1.7
705.32623	1.6
705.42139	16.3
706.31763	1.0
706.42365	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.0
55.01864	14.7
55.05503	37.9
57.03424	12.7
57.07059	4.2
58.32669	1.0
59.04985	2.2
61.02911	2.0
62.70283	1.1
65.03928	3.6
67.05492	80.9
69.03416	33.9
69.07061	24.8
71.01334	1.7
71.04974	16.1
71.08603	1.9
71.81573	1.2
73.02894	2.8
79.05479	63.6
80.05833	1.2
81.03403	100.0
81.07042	76.7
82.03729	1.2
82.07365	1.4
83.01302	2.2
83.04967	32.2
83.08601	22.7
85.02895	14.3
85.06523	4.0
86.09695	1.6
87.04429	1.6
90.39583	1.4
91.05463	48.6
92.05788	1.7
93.07027	68.0
95.04956	19.5
95.08588	49.1
97.02872	30.2
97.06514	14.4
97.10154	18.1
99.04443	15.5
99.08081	2.7
101.02326	1.3
103.03927	1.3
103.05445	1.2
105.04521	1.3
105.07007	43.0
107.04932	8.4
107.08572	41.1
109.02855	27.6
109.06485	6.0
109.10140	26.8
111.04423	30.6
111.08067	11.3
112.80273	1.1
113.05968	1.5
115.05474	3.7
117.06996	22.6
119.04926	1.5
119.08557	30.3
121.06487	6.8
121.10120	31.5
121.10946	2.0
123.04433	3.9
123.08044	5.4
123.11675	7.3
125.05968	3.0
125.09615	15.7
125.10462	1.3
127.03883	18.9
128.01451	1.1
128.06236	3.6
129.05481	4.4
129.06969	11.4
131.04956	1.8
131.08545	27.8
133.06500	3.4
133.10101	19.8
135.08055	5.1
135.11676	25.7
137.05978	3.1
137.09590	2.4
137.13303	2.1
139.07597	1.6
139.11172	1.2
141.06969	3.3
142.07800	3.1
143.08559	9.7
144.09363	1.3
145.04935	2.0
145.06502	4.6
145.10097	31.6
145.11183	1.9
147.08043	4.1
147.11655	17.7
147.12703	1.7
149.05997	1.8
149.09610	6.1
149.13243	6.7
153.01846	2.1
153.07002	1.6
153.09082	1.9
153.12729	22.6
154.07770	1.5
155.08542	8.5
157.06503	1.5
157.10097	9.9
159.08060	3.4
159.11665	16.5
161.09648	3.1
161.13200	6.4
163.03883	1.2
163.07603	1.3
163.11157	23.0
163.12433	1.8
163.14783	2.7
167.08589	1.9
168.09332	1.2
169.10069	5.3
171.08031	3.5
171.11671	8.5
173.04443	28.8
173.05894	1.9
173.09637	6.7
173.13200	11.3
175.11183	3.7
175.14821	3.2
177.12643	1.1
179.08493	1.8
179.14311	1.1
181.10165	2.8
181.12228	16.4
183.06523	2.2
183.08095	2.0
183.11656	6.8
184.07272	6.1
185.09618	2.4
185.13214	8.3
187.11208	2.0
187.14833	5.2
189.11206	8.6
189.12666	1.8
191.10645	15.7
193.10118	1.1
193.12222	2.7
195.11699	3.2
197.13319	5.0
199.11281	2.7
199.13216	1.4
199.14859	4.8
201.12788	1.8
201.16370	2.0
207.11749	1.9
209.11757	9.7
209.13350	2.6
211.13162	2.3
211.14914	2.6
213.12836	1.4
213.16461	1.4
215.17931	1.3
223.14934	1.6
225.12817	2.0
225.16211	1.2
227.12726	47.7
228.13075	1.9
231.13850	1.7
233.15477	1.7
241.19559	1.8
243.21114	2.8
245.13776	1.7
259.20602	5.8
261.22141	8.9
265.14343	1.3
267.15851	2.1
271.20877	1.1
275.20151	3.2
277.21680	1.4
279.23080	1.3
283.15363	22.9
283.20407	1.5
285.17206	1.3
285.22125	1.4
297.22177	1.5
299.23587	7.5
301.16498	4.8
301.21783	3.3
303.23270	1.5
313.21851	2.0
315.23233	2.9
317.24884	4.0
333.24426	2.3
335.25778	41.1
339.23077	1.3
341.24863	1.7
342.94870	1.0
351.23309	4.0
353.16000	9.1
355.26492	1.5
357.24347	2.1
369.24121	6.6
371.17172	1.9
387.25299	4.2
405.26389	1.3
409.18668	1.6
415.29926	1.9
427.19565	14.8
427.24994	1.2
433.31100	2.6
451.32111	4.2
461.28983	1.5
469.33585	2.5
479.29929	1.4
487.34201	3.2
515.37506	5.2
516.74579	1.3
525.35669	14.8
526.35590	1.7
527.37225	1.5
541.34869	1.3
543.36743	61.1
544.37292	2.9
561.37708	10.6
633.38342	1.8
651.38971	3.5
669.40063	6.7
687.40887	28.1
688.41449	2.4
705.41998	35.2
705.54767	1.5
706.42102	4.5
734.51495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.4
53.03939	11.1
55.01867	12.6
55.05502	32.9
55.48027	0.9
57.03429	13.8
57.07069	3.6
58.10587	1.1
59.04993	1.6
61.02945	1.5
65.03936	3.1
67.05492	70.9
68.05817	1.6
69.03417	34.9
69.07056	20.0
69.67089	9.2
71.01343	2.6
71.04982	12.6
71.08620	2.7
77.03928	1.1
79.05002	1.8
79.05480	52.4
81.03405	100.0
81.07042	69.2
82.03724	1.7
83.01343	2.0
83.04965	30.0
83.08603	20.8
85.02892	15.5
85.06533	3.5
85.10165	1.0
86.09709	1.6
87.04470	1.7
91.03960	1.3
91.05465	46.5
92.05828	1.2
93.07029	60.8
95.04946	16.7
95.08591	48.8
97.02876	29.1
97.06509	11.2
97.10146	18.4
99.04445	11.1
99.08106	2.0
101.02383	2.1
103.05460	1.1
105.04589	1.3
105.06314	2.1
105.07014	35.2
105.07704	2.1
107.04945	9.6
107.08573	33.7
109.02866	22.7
109.06508	6.8
109.10143	26.2
109.10853	1.7
111.04420	29.9
111.08057	11.0
111.33717	1.0
113.02354	2.0
115.03956	1.9
115.05412	2.4
117.07001	21.4
117.07761	1.7
119.04956	1.4
119.08559	29.3
119.09373	1.7
121.02892	1.5
121.06498	6.4
121.10124	26.2
121.10947	2.0
123.04440	2.6
123.08070	4.8
123.11687	6.3
125.00003	1.3
125.05948	2.8
125.09607	13.6
127.03887	16.6
128.06212	3.1
129.05466	4.2
129.06963	12.7
130.07762	2.0
131.04951	2.9
131.08543	28.5
133.06502	3.1
133.10098	21.1
135.08028	7.4
135.11659	24.1
135.12608	1.6
137.05956	1.6
137.09587	2.4
137.13216	1.9
139.07564	1.3
139.11215	1.3
141.07001	4.0
142.07808	2.1
143.08554	11.6
145.06483	2.2
145.10095	29.1
145.11177	2.0
146.10519	1.1
147.08067	4.3
147.11653	15.4
149.09644	6.9
149.13254	6.4
151.07417	1.0
151.11182	1.5
151.63170	1.0
153.06972	1.1
153.09106	2.7
153.12730	15.2
153.13849	1.6
154.07764	1.4
155.08524	8.8
157.06445	2.7
157.10086	12.1
159.08043	2.0
159.11661	13.4
159.12886	1.2
161.09634	4.3
161.13242	8.2
163.11165	21.6
163.14772	2.6
167.08580	2.2
169.10104	7.3
170.10826	1.5
171.08043	2.8
171.10287	2.4
171.11635	10.5
173.04437	34.8
173.09586	6.8
173.13232	10.5
175.11133	2.0
175.14841	3.2
177.12764	2.7
181.10155	4.7
181.12263	16.9
183.11711	6.0
184.07327	6.3
185.09625	2.6
185.13232	5.8
187.11197	2.2
187.14789	5.6
189.09393	1.9
189.11238	10.1
189.12697	2.0
189.16379	1.6
191.10634	16.1
191.14410	1.3
193.10266	1.4
193.12245	5.0
195.11679	3.7
197.09775	1.4
197.13290	4.8
199.11243	2.2
199.14835	3.1
201.12712	2.4
201.16232	1.9
207.11792	1.5
209.11739	8.4
209.13330	3.3
211.13222	2.6
211.14984	1.9
213.16634	1.7
219.11807	1.4
225.16403	2.1
227.12727	49.1
235.14894	1.4
241.15852	1.2
243.21098	2.4
259.20538	5.2
261.14679	1.5
261.22086	7.2
265.14337	1.2
267.16074	3.0
273.22226	1.4
277.21814	2.4
279.23367	1.4
283.15408	22.8
283.20441	1.7
285.22000	1.4
297.18713	1.2
297.22028	2.4
299.23621	8.2
301.16370	5.1
301.21597	2.9
313.21613	2.6
317.24722	3.9
327.23059	2.8
333.24393	1.9
335.25763	26.9
336.26157	1.2
341.24921	1.6
351.23340	4.3
353.15955	8.2
362.07425	1.2
369.24191	7.0
371.16895	1.4
387.25360	4.7
405.26559	2.8
427.19629	17.7
433.31024	3.2
443.27893	3.6
451.32065	6.0
461.29105	4.5
469.33075	5.8
477.28723	1.4
479.29980	2.1
487.34088	2.1
515.37170	4.2
525.35706	19.2
526.35931	2.0
541.34760	2.1
543.36719	64.4
544.36993	5.1
545.38446	2.8
561.37842	9.4
564.39722	1.5
585.38702	1.4
613.37500	1.9
651.38727	3.1
655.41998	1.4
669.39691	6.5
687.40863	23.3
705.41956	37.5
706.42395	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	705.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.5
55.01862	13.7
55.05499	33.1
57.03185	1.2
57.03429	15.6
57.07051	3.3
59.04977	2.6
60.50699	1.0
61.02893	3.0
65.03923	5.0
67.05492	72.0
68.05813	1.0
69.03413	34.2
69.07061	22.1
69.64060	9.6
71.01324	2.5
71.04980	15.2
73.02898	2.4
77.03863	1.2
78.05653	1.0
79.05479	50.7
81.03402	100.0
81.07039	66.5
82.03738	1.5
83.01323	1.3
83.04961	29.3
83.08601	22.3
85.02891	14.4
85.06525	4.3
86.09686	4.9
87.04447	3.0
88.03728	1.1
91.05462	39.1
92.05777	1.4
93.07025	58.0
95.04948	18.5
95.08587	47.9
97.02876	28.2
97.06520	11.0
97.10154	20.5
99.04434	12.2
99.08071	2.1
105.04491	2.3
105.06311	2.0
105.07005	35.4
107.04928	9.4
107.08574	38.2
109.02851	25.7
109.06512	6.7
109.10134	28.3
109.10854	1.8
111.04422	27.3
111.08063	9.5
113.02258	1.1
115.05456	3.0
116.06154	1.1
117.07005	21.0
119.08555	33.0
121.06492	4.9
121.10129	24.1
123.04442	1.8
123.08055	5.1
123.11689	6.7
125.00038	1.7
125.09595	17.8
127.03889	19.2
128.06120	2.6
129.05463	4.1
129.06966	13.3
131.08539	33.3
133.06461	4.5
133.10107	18.9
135.08000	5.7
135.11665	25.1
137.05913	1.4
137.09584	3.7
137.13200	2.1
139.07533	1.7
139.11165	1.4
141.06982	2.8
142.07768	3.2
143.08557	12.1
144.09308	1.2
145.06468	4.3
145.10101	30.3
145.11203	2.2
147.08046	5.5
147.11673	16.8
149.05923	1.4
149.09567	5.8
149.13203	7.0
151.07568	1.2
153.01859	1.9
153.09084	2.4
153.12717	21.9
153.13847	2.1
154.07718	2.0
155.08525	9.6
157.06445	2.5
157.10088	9.5
159.08028	3.0
159.11674	15.7
161.09705	2.8
161.13211	7.0
163.11154	25.3
163.14825	2.4
163.64929	1.0
165.06941	1.3
167.08498	3.1
169.10085	8.9
171.08072	2.3
171.10258	2.0
171.11639	10.4
173.04433	35.4
173.09619	8.5
173.13205	10.1
175.11159	2.9
175.14822	2.6
177.12688	1.7
179.08432	1.8
181.10120	3.6
181.12212	17.5
183.11644	7.4
184.07339	14.5
184.08876	1.9
185.07782	1.4
185.09584	1.7
185.13258	8.1
187.11165	2.9
187.13370	1.4
187.14738	5.2
189.09560	1.9
189.11157	10.2
189.12683	1.8
191.10611	13.3
191.14275	1.7
193.10271	1.8
193.12253	4.9
195.11684	3.3
197.09705	1.4
197.13217	5.4
199.11168	2.0
199.14784	5.1
201.12688	2.6
201.16441	1.8
203.14272	1.4
207.11746	1.6
209.11681	6.2
209.13327	3.0
211.11340	1.4
211.13234	3.6
211.14943	1.7
213.12856	2.2
213.16426	1.4
217.15674	1.3
221.13283	1.9
225.12827	1.7
225.16405	1.7
227.12723	46.2
228.13255	1.6
237.12839	1.5
237.16489	1.6
241.19499	2.3
243.13843	1.3
243.21169	2.9
245.13792	2.6
259.20593	4.6
261.22107	9.7
267.15952	2.9
271.20456	1.2
277.21628	2.7
279.23322	2.2
283.15341	22.5
283.20462	1.9
285.22046	1.2
291.23129	1.7
295.20804	1.2
297.22159	1.7
299.20264	1.8
299.23523	10.5
300.79691	1.3
301.16455	3.9
301.21683	3.1
315.23221	1.9
317.24713	3.6
323.23795	1.4
325.21719	2.3
327.23215	1.4
333.24274	3.3
335.25763	28.2
336.26202	2.3
339.23114	1.9
341.24692	2.5
351.23138	4.0
353.15909	8.1
369.24060	5.5
371.26028	1.5
387.25174	3.1
405.26694	1.6
415.29865	2.0
427.19547	16.8
433.30750	5.2
443.27985	1.8
444.49008	1.1
451.32260	6.4
459.34329	1.5
461.28735	2.6
469.33002	8.0
479.29965	1.5
487.34158	2.2
507.34583	1.8
515.37024	6.9
525.35669	20.1
526.35858	1.8
533.38843	1.6
541.35400	1.5
543.36700	78.0
544.37164	8.2
545.38458	1.6
548.94946	1.1
561.37872	9.9
651.38477	2.7
669.39459	6.7
687.40826	22.9
688.40454	1.6
697.53857	1.3
705.41876	38.7
706.42096	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	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06593	0.8
51.02349	1.0
53.03933	9.9
55.01859	12.6
55.05499	35.2
57.03427	15.6
57.07064	4.2
59.04982	1.9
60.08150	3.1
61.02913	2.4
65.03922	4.7
67.05491	73.1
68.05825	1.4
69.03416	30.4
69.06676	1.1
69.07052	17.8
70.38830	4.4
70.56668	0.9
71.01343	1.8
71.04975	14.3
71.07341	1.2
71.08614	1.7
73.02898	3.5
74.02520	0.9
77.03897	1.0
79.05475	60.0
80.05818	1.5
81.03402	100.0
81.07037	71.8
81.58520	0.9
82.07378	1.5
83.01324	2.1
83.04963	30.0
83.08601	24.4
85.02889	15.6
85.06519	4.0
86.09690	10.7
87.04435	2.2
91.03931	1.2
91.05463	43.0
91.06027	2.1
93.07024	61.1
94.07338	1.1
95.04954	17.1
95.08588	47.3
96.08924	1.7
97.02871	30.0
97.06513	9.7
97.10154	18.8
98.98434	1.5
99.04439	12.4
99.08053	1.1
101.02364	1.8
102.55775	0.9
103.05440	1.3
104.43146	0.9
105.04534	1.1
105.07008	37.1
106.07342	1.2
107.04927	10.3
107.08573	37.9
108.08883	1.3
109.02867	23.1
109.06525	6.1
109.10133	24.5
111.04419	28.9
111.08053	10.9
115.05406	1.7
117.06999	20.6
119.08559	29.8
121.06493	5.9
121.10127	27.6
123.04436	3.1
123.08063	5.4
123.11690	6.4
124.99993	7.2
125.06004	3.0
125.09609	17.4
127.03896	18.4
128.06203	1.8
129.05458	3.6
129.06970	13.1
130.07794	2.0
131.08537	30.7
133.06480	2.7
133.10100	19.9
135.04395	1.3
135.08034	6.1
135.11670	25.2
137.05913	1.3
137.09633	2.5
137.13208	1.3
139.07498	1.4
141.06960	4.0
142.07753	2.1
143.08543	10.9
145.06448	4.0
145.10088	28.5
145.11191	1.7
147.08070	2.6
147.11658	15.3
149.09570	5.4
149.13258	5.0
151.11136	1.5
153.01816	2.2
153.09117	2.6
153.12714	20.4
155.08533	7.5
157.10095	12.1
159.08058	3.0
159.11676	15.9
161.09633	2.7
161.13205	7.0
163.07500	1.0
163.11153	23.2
163.14827	3.5
165.06964	1.0
165.12816	1.0
167.08504	3.2
169.10110	6.9
171.07997	1.7
171.11639	7.8
173.04437	25.2
173.05927	1.7
173.09570	7.2
173.11810	1.7
173.13213	11.2
175.11186	3.1
175.14801	2.8
177.12793	1.6
179.08505	1.7
181.10121	4.8
181.12219	19.6
183.06538	1.6
183.08080	1.4
183.11664	5.4
184.07314	30.3
184.08865	2.0
185.07579	1.6
185.09644	1.5
185.13220	7.1
187.07506	1.3
187.11240	1.8
187.14771	6.9
189.11185	9.6
189.12666	1.8
191.09013	0.9
191.10629	19.3
191.14229	1.0
193.12300	3.2
195.11676	3.6
197.13211	4.9
199.11159	2.4
199.14787	4.8
201.12767	1.6
201.16408	3.2
207.11601	2.4
209.11522	6.6
209.13278	2.4
211.13083	1.9
211.14868	1.9
213.12805	1.7
215.14363	1.2
221.13213	1.2
223.14912	2.0
225.16359	2.5
227.12718	47.4
228.13031	2.2
231.13760	1.2
237.16429	1.2
239.17929	1.4
241.19456	1.5
243.21065	3.1
245.13835	3.9
249.16475	1.2
259.20425	4.6
261.22037	7.1
267.15845	2.2
269.23029	1.1
277.21735	2.2
279.23245	1.5
283.15344	22.9
285.16910	1.3
289.21658	1.4
295.20609	1.3
297.22046	1.2
299.20099	1.6
299.23526	7.8
301.16446	4.0
301.21576	3.9
303.23178	1.5
307.15341	1.3
313.21777	1.6
315.23169	2.3
317.24707	4.5
325.21545	1.1
327.23346	1.8
333.24243	2.3
335.25769	38.4
339.23230	2.4
341.24908	1.7
351.22974	1.9
353.15924	7.8
361.24966	1.0
367.22354	1.8
369.24255	5.7
371.16788	1.1
375.25494	1.2
387.25256	3.5
409.18274	1.7
415.29517	1.6
423.32639	1.8
425.26678	1.1
427.19431	13.5
433.30814	4.5
441.34189	1.1
443.27829	1.9
451.32019	6.6
458.18103	1.1
461.28970	2.5
469.33057	5.6
487.33691	2.8
515.37402	5.9
525.35645	15.4
527.37201	1.3
533.38519	1.5
541.34967	1.8
543.36707	68.4
544.36957	4.9
559.35950	1.7
561.37799	11.8
651.38385	3.2
669.39996	6.1
687.40881	20.4
688.41089	2.7
705.41962	30.9
706.43988	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.1
56.05021	0.6
57.07047	0.3
58.06609	0.5
59.07119	0.1
59.07376	0.1
60.08151	6.5
63.86627	0.1
66.85587	0.1
67.05473	0.3
68.57995	0.1
69.07037	0.2
70.06575	0.1
70.20121	0.2
70.20535	0.2
71.07357	3.2
71.08604	0.1
79.05479	0.2
81.07039	0.3
82.37440	0.1
83.08605	0.1
85.10159	0.1
86.09687	31.1
87.09998	0.2
89.06031	0.1
91.05447	0.2
93.07054	0.2
95.08604	0.2
98.98443	3.0
104.10722	2.1
105.07031	0.2
107.08569	0.1
109.10134	0.1
116.99445	0.1
119.08591	0.1
124.99976	20.6
143.01007	0.5
145.10112	0.1
166.02657	0.2
171.41473	0.1
184.07304	100.0
185.07675	0.7
253.14240	0.2
323.86395	0.1
448.20746	0.1
467.73215	0.1
496.33954	0.2
575.50055	0.2
704.44836	7.5
705.45166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92395	0.7
52.13084	0.5
53.03878	3.3
55.01802	3.6
55.05440	17.9
55.05737	1.8
57.03362	6.4
57.07021	1.6
57.07263	0.5
59.04938	1.1
61.02850	7.7
62.15110	0.7
65.03867	2.0
67.05424	27.5
67.05826	2.2
68.05775	0.8
69.03349	11.3
69.06984	8.0
69.07382	0.7
69.08085	0.5
70.06525	1.0
70.91080	1.3
70.91426	0.7
71.01300	0.8
71.04967	4.3
73.02832	4.2
74.09677	0.6
77.93815	0.6
79.05480	19.1
81.03406	19.7
81.07043	20.7
81.07484	0.9
83.01269	0.7
83.04961	6.4
83.08601	8.8
85.02886	9.6
85.06459	2.0
88.07587	0.8
91.03943	4.0
91.05465	17.3
92.05736	1.0
93.07026	18.2
94.86189	0.6
95.04958	7.0
95.08587	13.0
96.28614	0.7
97.02880	10.4
97.06441	2.2
97.10153	11.2
99.04456	3.4
99.08009	1.1
101.02300	1.0
105.04465	0.9
105.07014	16.4
107.04955	4.1
107.08584	11.7
109.02865	3.2
109.06417	2.5
109.10147	9.9
110.10393	1.5
111.04343	2.6
111.07973	2.6
112.07517	0.9
113.05933	2.3
115.03786	0.9
115.05363	1.8
117.06993	11.1
119.08563	13.9
121.06397	1.9
121.10122	6.0
123.04333	1.0
123.07955	2.4
123.94514	0.7
125.09614	9.6
127.03889	5.3
128.06183	3.0
129.05409	1.4
129.06972	10.8
130.07675	0.6
131.08556	12.6
133.06340	2.4
133.10089	7.6
135.08017	3.6
135.11684	4.7
137.09590	1.4
137.77286	0.6
141.06972	4.2
142.07800	2.9
143.08537	11.3
145.04778	0.8
145.06381	2.1
145.10109	12.3
147.07961	1.6
147.11674	6.0
149.02226	1.9
149.09492	1.7
149.13158	2.1
151.11122	1.0
153.06953	1.2
153.08980	1.9
153.12645	2.5
154.07672	1.1
155.08525	6.8
156.09245	0.7
157.06409	1.4
157.10120	11.2
159.07953	2.7
159.11668	7.0
161.09525	2.4
161.13107	2.4
163.11081	2.1
165.06844	1.1
166.07678	1.2
167.08586	3.8
168.09273	0.9
169.06461	0.7
169.08806	0.8
169.10112	10.3
171.07957	2.6
171.10153	0.7
171.11656	10.5
172.11940	0.6
173.03256	0.6
173.04442	8.3
173.09567	2.9
173.11607	2.0
173.13150	4.3
175.11066	1.2
175.14807	1.1
177.12613	0.7
179.08476	1.4
181.09995	4.9
181.11879	1.0
182.10686	1.1
183.07925	1.9
183.11656	6.5
185.09482	1.8
185.13260	6.3
187.11134	1.1
187.14758	1.5
189.11211	5.9
189.12689	0.9
191.10583	0.8
191.14215	0.6
193.04843	0.7
193.10011	2.1
193.11906	0.6
195.07933	0.6
195.11688	5.2
197.09502	1.8
197.13243	5.0
199.11182	1.5
199.14793	3.3
201.12779	1.1
201.16316	0.8
205.10065	0.9
207.11700	3.5
209.09439	0.8
209.11407	1.1
209.13229	4.7
211.11050	1.6
211.12975	0.9
211.14732	2.0
213.12595	1.2
215.14290	1.1
219.11612	1.1
221.13133	2.3
223.11011	1.5
223.14742	1.7
225.12651	1.9
225.16275	1.2
227.12651	9.1
227.14406	0.7
229.14302	5.5
230.14580	1.7
233.13011	0.8
235.11121	0.9
235.14804	1.3
237.12627	1.5
237.16338	1.3
239.14174	1.0
239.17778	1.0
241.19408	2.1
245.13577	0.7
247.10796	0.7
247.14636	0.8
249.16341	1.1
253.15678	0.8
255.17558	0.9
256.26175	0.7
257.18820	1.7
259.20535	4.2
260.20801	2.2
261.21902	0.6
269.18848	1.2
271.17056	0.8
271.20349	0.9
275.19962	1.3
277.21518	0.9
279.20947	0.9
283.15189	1.8
283.20261	0.6
285.21902	0.6
287.23596	0.8
295.20490	1.6
297.22046	6.6
299.20044	1.1
309.21893	0.9
311.19992	0.9
313.21509	0.8
315.19403	0.7
315.23029	1.7
321.21716	1.1
323.20023	1.5
323.23547	0.7
325.21667	1.2
327.19681	0.9
331.22678	0.8
333.24155	2.3
334.24548	1.9
337.21420	1.0
339.23065	1.2
351.22900	0.9
353.24924	0.7
359.07565	2.1
367.22531	0.9
385.23853	0.7
399.24899	0.6
403.29773	1.6
421.25940	0.9
421.31039	1.8
423.25244	0.7
431.29379	4.8
439.32135	0.7
449.30426	8.6
459.27802	1.1
467.31445	4.9
485.32599	1.9
487.32126	0.7
488.34488	1.5
505.33383	1.1
506.35214	1.6
513.35614	2.4
523.34125	15.7
529.21912	0.8
531.36700	1.9
539.33514	1.7
541.35181	100.0
542.35406	4.3
553.35382	0.7
557.34222	0.9
559.36060	3.9
565.35156	1.4
583.36194	2.6
631.36383	1.2
649.37329	2.3
667.38110	3.7
685.39392	7.6
703.40210	26.4
704.40320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.8
55.01861	3.6
55.05500	37.3
57.03430	12.9
57.07067	4.5
59.04979	1.9
61.02888	2.6
65.03902	2.0
67.05492	48.7
69.03416	5.9
69.07058	12.8
69.72169	4.4
70.50731	0.5
71.04971	1.6
71.08597	1.7
73.02872	1.2
76.39188	0.6
79.05479	30.9
81.03385	1.5
81.07040	41.5
83.04967	4.1
83.08604	28.0
85.02882	3.1
85.03303	0.6
85.06511	1.3
85.10168	0.8
86.09672	0.9
87.04439	0.8
89.06029	4.2
91.03943	1.3
91.05460	12.6
93.07024	31.5
95.04951	3.1
95.08589	29.0
97.02865	1.2
97.06484	1.5
97.10150	58.7
98.10490	0.5
99.08013	0.9
101.09626	0.8
105.07017	9.8
107.04901	0.6
107.08573	29.6
108.08899	0.7
109.06475	1.2
109.10137	16.1
111.08046	2.4
113.09615	0.7
115.05428	0.7
117.07002	5.6
119.08557	6.8
121.10128	14.5
123.07981	0.7
123.11684	4.8
125.00008	0.7
125.09607	56.8
126.09909	0.9
131.08536	6.4
133.08543	2.2
133.10097	5.6
135.08057	6.7
135.11665	9.8
137.13220	1.7
143.10675	3.4
145.10081	4.0
147.11656	4.3
149.13223	4.9
151.11188	0.9
151.14742	0.7
153.09071	3.6
159.11676	4.2
161.13255	3.9
163.14803	3.0
165.12747	0.6
171.10162	3.4
173.13219	3.7
175.14842	0.6
177.11272	1.1
177.16351	1.0
184.07353	4.7
187.14799	1.6
189.11191	42.8
190.11502	0.8
196.08882	0.6
201.16231	0.7
226.06192	0.7
227.12740	76.0
227.20020	23.2
228.13049	1.2
233.22685	1.2
243.21045	7.9
245.13805	100.0
246.14090	2.0
261.22098	28.4
262.22525	0.7
279.23196	2.6
317.24652	3.9
335.25748	89.0
336.26120	3.7
339.19589	1.0
353.26831	0.6
413.30615	1.0
431.31650	2.0
468.37869	0.7
487.34113	7.9
488.34525	1.1
505.35175	67.8
506.35687	3.4
523.36279	2.9
555.65070	0.6
561.37787	0.7
646.38971	0.6
702.48511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01995	0.4
53.03933	1.7
55.01617	0.7
55.01857	3.8
55.05501	42.0
56.50681	0.4
57.03429	11.5
57.07064	2.7
59.04986	1.3
61.02911	3.0
65.03925	1.9
67.05492	48.4
68.05846	0.5
69.03413	6.4
69.07056	13.4
71.04981	1.8
71.08613	1.6
73.02913	1.4
79.05481	31.2
80.05785	0.5
81.03412	6.0
81.07041	45.4
82.07365	0.7
83.04966	4.1
83.08603	28.0
84.08926	0.5
85.02906	2.2
85.06525	2.1
85.10137	1.3
86.09695	1.8
91.03938	1.3
91.05461	11.5
93.07027	28.6
95.04935	4.4
95.08588	27.1
97.02888	1.6
97.06512	1.8
97.10151	62.2
98.10459	0.8
99.08073	0.9
101.09658	1.4
105.07014	9.8
107.04937	0.8
107.08572	32.8
108.08878	0.5
109.06520	1.4
109.10139	16.8
111.04384	0.5
111.08068	2.5
117.07005	4.0
119.08560	7.2
121.10118	13.4
123.08055	0.8
123.11683	4.2
124.99990	0.9
125.09608	62.4
126.09976	0.9
129.06972	1.5
131.08525	4.9
133.10106	6.2
135.08015	7.1
135.11659	8.0
137.09583	0.7
137.13231	1.6
143.10658	2.8
145.10077	5.4
147.11665	4.9
149.09581	0.9
149.13217	4.8
151.11179	0.6
151.14861	0.6
153.09085	4.8
157.10051	0.9
159.11688	4.1
161.13194	2.5
163.14809	2.9
165.12701	0.7
171.10130	3.2
173.05943	0.5
173.13223	3.8
175.11118	0.6
175.14792	1.3
177.12874	0.5
177.16385	0.9
184.07303	7.4
187.03897	1.5
187.14807	1.4
189.11189	46.1
190.11482	0.7
191.14305	0.6
193.12187	1.2
201.16367	0.7
221.32777	0.5
226.06270	1.7
227.12738	75.7
228.13087	1.4
233.22668	0.9
243.21049	5.8
245.13802	100.0
246.14131	2.2
261.22104	23.0
262.22433	0.9
279.23050	2.4
306.28067	0.5
317.24731	3.7
335.25745	68.3
336.26089	2.1
339.19522	10.9
340.19775	0.9
353.26819	1.5
356.19238	1.2
374.20105	0.7
395.29190	0.8
408.17957	0.7
413.30298	1.4
431.31577	2.5
487.34134	9.2
505.35184	42.3
506.35464	1.4
523.36066	4.5
529.38806	16.3
530.39014	1.1
539.48938	0.5
670.40387	0.6
702.44910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01859	0.4
55.05495	1.0
57.03431	1.6
61.02917	3.9
67.05494	2.7
68.05806	0.3
69.03423	2.7
69.07046	0.7
69.24334	0.2
70.35198	1.0
71.01339	0.5
71.04980	0.9
73.02898	2.8
74.36798	0.2
79.05478	2.2
80.05742	0.2
81.03404	5.3
81.07042	3.0
82.07425	0.2
83.04971	1.2
83.08608	1.5
85.02893	6.6
86.29420	0.2
87.04465	0.4
91.03945	3.4
91.05473	4.0
93.07025	1.9
95.04941	2.1
95.08599	1.3
96.05304	0.2
97.02877	4.5
97.06516	0.4
97.10186	0.4
98.21451	0.2
99.04430	0.7
99.08125	0.3
101.02350	1.4
103.03925	0.4
105.07021	2.3
107.04934	0.8
107.08588	0.9
109.02851	0.8
109.06519	0.6
111.04430	0.3
111.08099	1.1
113.05990	0.4
115.03917	0.3
115.05440	0.3
117.07024	0.2
119.08575	2.2
121.10133	0.9
123.11664	0.4
125.09663	0.2
127.03892	1.5
129.05498	0.2
129.06982	0.9
131.08546	1.0
133.06488	0.3
133.10115	1.3
142.07771	0.2
145.04976	0.2
147.08093	0.3
147.11679	1.5
149.09618	0.8
157.10120	1.5
165.12715	0.4
175.11159	1.7
184.07466	0.2
185.04257	0.5
192.41899	0.2
193.12230	2.6
203.05284	0.4
211.13243	0.9
212.13496	0.3
235.53203	0.2
243.08362	1.9
251.12534	1.9
259.07831	0.3
285.16980	0.6
289.09396	0.4
307.15259	1.0
377.88159	0.2
392.30463	0.2
426.71097	0.2
464.27069	0.2
469.20398	13.7
470.20804	0.8
482.28094	0.3
697.33917	100.0
698.34265	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	696.5394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
53.64794	0.1
53.80182	0.1
55.01833	0.4
55.05502	5.2
56.05034	3.5
57.03396	0.6
57.07064	3.0
58.02934	0.3
58.06591	0.8
60.04517	2.1
61.02887	0.7
65.03899	0.7
67.04211	0.4
67.05494	10.5
68.05008	1.1
69.03418	2.1
69.07059	7.3
70.06583	2.0
71.04956	0.3
71.08621	1.5
71.27446	0.2
71.27781	0.4
72.08089	0.2
73.39509	0.2
76.03942	0.5
79.05480	9.2
80.04586	0.2
80.05002	2.6
80.05733	0.2
81.03400	0.9
81.05772	1.5
81.07041	9.2
82.06566	6.8
83.08606	3.9
84.08091	0.5
85.02892	4.1
85.10143	0.5
85.90459	0.2
86.06023	0.3
87.04424	0.4
91.03911	0.3
91.05464	7.1
92.05782	0.2
93.05733	0.7
93.07030	8.5
94.06552	16.9
95.04961	1.5
95.07338	7.1
95.08590	7.3
96.08119	5.4
97.02875	1.6
97.06480	0.4
97.09551	0.2
97.10146	2.5
98.05984	0.2
99.04436	0.2
99.85014	0.2
100.07564	0.3
105.04481	0.2
105.07014	5.6
105.08073	0.3
106.06470	0.2
106.80910	0.1
107.07314	0.5
107.07912	0.3
107.08576	5.0
108.08108	2.8
108.08820	0.3
109.02821	0.4
109.06462	0.2
109.10138	3.5
110.09627	0.5
111.08010	0.3
111.11665	0.8
114.09144	0.3
117.06976	0.3
119.08565	5.1
120.08028	0.2
120.08846	0.2
121.08839	0.5
121.10122	5.2
122.09660	2.3
123.11681	1.2
124.11142	0.4
127.03889	0.9
131.08524	0.3
133.09167	0.2
133.10117	3.4
135.10411	0.6
135.11630	2.9
136.11176	0.7
137.13223	0.8
145.04929	0.5
147.11653	1.5
149.12102	0.2
149.13206	1.0
150.12646	0.2
151.14775	0.6
161.13232	1.1
163.14786	0.8
165.16333	0.3
175.14781	0.5
182.19026	0.2
189.16280	0.3
191.17900	0.3
193.19470	0.4
205.19373	0.3
208.24240	0.2
217.19618	0.2
219.21016	0.5
233.22565	3.1
234.22177	0.7
245.22614	4.5
246.23024	0.2
247.24107	0.4
248.23758	0.2
250.25273	6.0
251.25793	0.2
254.24805	1.1
260.23843	0.3
262.25253	100.0
263.25745	4.0
264.26846	0.7
272.25793	4.7
273.26208	0.2
280.26303	5.7
281.26611	0.2
282.24185	0.3
296.25766	0.2
310.27209	0.2
312.25296	0.7
314.26944	0.4
341.24390	0.2
348.29132	0.2
350.30450	0.2
368.31396	0.2
374.28632	0.2
382.36884	0.2
442.31555	1.0
452.02518	0.2
498.46362	0.2
504.47632	4.1
505.47943	0.5
516.47705	30.9
517.48010	3.0
518.49231	8.7
519.49615	0.8
534.40594	0.4
534.48749	7.4
535.49408	0.6
598.48969	0.2
696.53961	6.4
697.54474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01857	1.1
55.05498	6.7
55.29815	0.9
57.02206	0.9
57.03429	2.1
57.07065	16.0
65.03921	1.1
65.85232	0.8
67.05490	15.7
69.03394	1.3
69.07053	5.9
71.04966	1.1
71.08620	11.8
71.81989	1.1
79.05483	6.5
81.03407	27.1
81.07043	14.2
83.04961	3.6
83.08611	9.4
85.10186	4.9
91.05474	6.6
93.07043	5.7
95.04948	9.9
95.08590	12.8
97.02882	1.3
97.10126	3.1
105.07018	7.2
107.04942	1.8
107.08579	3.9
109.06498	1.4
109.10155	5.5
111.04413	1.1
111.08067	2.2
117.07008	1.2
119.08585	4.5
121.06469	1.1
121.10139	2.6
123.11730	2.8
129.06992	4.8
131.08548	4.2
133.10135	2.3
142.07785	1.3
143.08485	0.9
145.10143	1.6
147.11673	4.0
149.09604	2.0
149.13283	1.0
151.11082	1.5
153.01820	3.2
157.10114	3.6
159.11659	1.1
175.11177	3.8
193.12198	6.2
195.13774	1.0
211.07271	1.4
236.16432	3.9
241.05054	1.1
277.21625	1.1
282.27954	1.2
313.27521	1.6
343.04550	1.1
344.04947	1.4
367.19162	5.0
368.19290	4.6
382.45868	0.9
392.19254	1.0
435.32889	1.1
478.33585	1.1
494.33133	1.0
505.38806	100.0
506.39017	4.0
521.32648	1.4
522.32727	7.7
524.20087	1.4
624.08099	1.1
678.33929	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01856	1.4
55.05500	16.2
57.03429	6.5
57.07068	10.3
58.68991	0.5
59.05002	0.5
61.02916	25.5
65.03914	2.1
67.05492	63.9
68.05828	0.9
69.03410	3.6
69.07054	24.6
71.04977	2.3
71.08616	6.9
71.78722	0.9
72.08971	0.6
73.02901	8.3
73.13680	0.4
75.04459	0.8
79.05480	17.8
81.03407	3.0
81.07040	78.9
82.07372	1.6
83.04971	1.9
83.08602	20.4
85.02890	29.0
85.06535	2.5
85.10175	2.9
85.10597	0.5
91.03941	23.8
91.05460	13.3
93.07026	20.9
94.07373	0.8
95.04948	2.2
95.08589	74.6
96.08938	1.2
97.02872	14.7
97.06514	7.2
97.10151	11.8
99.04430	1.7
99.08065	3.4
103.03951	0.7
105.07008	10.4
107.08574	16.1
108.08907	0.4
109.06511	1.0
109.10137	38.3
110.10441	0.9
111.08073	4.2
111.11681	4.1
111.12234	0.4
113.09627	1.7
115.03893	1.3
119.08562	12.0
121.10123	21.4
123.08061	1.4
123.11682	19.1
125.09644	2.1
125.13262	1.7
127.03904	8.7
127.11185	1.3
128.16521	0.5
130.04858	0.5
131.08476	0.8
133.10098	14.8
133.11116	0.7
135.11673	11.6
136.12062	1.0
137.09613	2.2
137.13213	7.0
139.11159	1.9
139.14778	0.5
141.12711	3.5
145.04935	11.0
145.06064	0.8
145.10088	0.6
147.11655	10.4
149.13229	11.0
151.11180	1.8
151.14796	7.0
153.01811	5.1
153.12733	1.5
154.02161	1.5
155.14291	3.3
161.13231	13.6
162.13475	0.6
163.05992	19.9
163.14796	9.8
165.12701	1.7
165.16362	9.0
166.16800	0.8
167.14319	1.3
175.14790	10.7
177.16351	1.6
179.14307	1.0
179.17909	6.6
181.15869	1.3
184.07294	0.5
189.16356	5.0
191.17949	0.6
193.15871	1.3
199.17003	0.5
203.17960	1.8
204.08650	0.5
205.19481	0.6
207.17461	0.6
210.18523	0.8
211.16972	0.5
217.19496	1.3
219.21088	0.5
245.22604	66.0
246.22894	3.4
247.24197	0.7
263.23657	100.0
264.24008	6.2
265.25128	2.1
281.24606	2.8
305.85733	0.5
323.05490	0.7
324.06046	0.5
337.27298	70.7
338.27640	5.0
345.07483	0.6
351.04825	1.1
352.05042	1.3
355.28357	19.6
356.28735	1.3
370.06308	1.0
463.30463	0.6
481.31403	1.1
488.17310	0.6
499.32605	6.1
500.33051	1.0
505.18311	0.7
506.18796	1.9
523.19305	0.8
524.12872	0.5
524.19629	2.8
650.33191	1.1
661.37512	0.7
678.33325	4.7
679.33289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
53.45737	0.1
55.05499	2.6
57.03410	0.2
57.07063	1.6
58.06067	0.2
59.04989	0.4
60.69191	0.2
65.03924	0.3
67.05492	4.6
69.03410	0.6
69.07055	5.9
69.88596	0.8
71.04974	0.3
77.03917	0.2
79.05481	1.1
81.03395	0.5
81.06593	0.3
81.07046	4.2
83.04961	0.2
83.08605	1.7
85.02886	2.8
85.06529	1.0
91.05463	3.9
93.07024	3.6
95.04950	0.6
95.08591	14.3
97.02895	1.1
99.04454	1.1
102.46038	0.1
103.03921	2.0
103.05450	0.3
104.06235	0.2
105.07010	8.7
106.07300	0.2
107.08576	4.4
108.08866	0.2
109.02851	0.9
109.06474	0.3
109.10138	18.2
110.10468	0.3
115.05398	0.4
117.06992	1.3
119.08559	38.3
120.08770	1.0
121.10119	2.0
123.08027	0.6
123.11723	0.7
127.03896	2.9
131.08539	0.9
132.09352	0.3
133.10104	42.5
134.10361	1.5
135.11664	7.2
136.12054	0.2
137.02322	0.3
137.05913	0.3
137.09590	7.2
138.09961	0.2
145.02812	0.1
145.04945	1.9
145.10098	2.6
146.10887	0.3
147.11661	9.2
148.12048	0.4
149.13232	2.9
150.13582	0.2
151.11148	0.2
151.14803	3.1
159.11685	0.5
160.12465	1.8
163.03828	0.4
163.05988	2.3
173.13243	1.1
175.14790	100.0
176.15126	3.1
191.14247	0.7
192.14587	0.4
193.15851	28.2
194.16147	0.7
209.15311	0.6
210.15582	0.2
271.08008	0.6
289.09119	0.5
303.04849	0.3
307.10165	1.8
433.13022	0.3
451.13974	0.2
687.14807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01826	1.0
55.05499	5.6
55.21227	0.3
55.74618	0.3
57.07063	12.0
65.03922	7.0
67.05489	21.4
69.03381	0.3
69.07050	6.4
71.08614	14.2
72.08922	0.4
79.05467	1.6
81.07037	11.0
83.04961	7.0
83.08590	1.5
83.54892	0.3
85.02837	0.6
85.10160	7.9
91.05437	0.9
93.03384	3.6
93.07010	1.5
95.04404	0.3
95.04941	4.4
95.08586	10.3
95.49447	0.3
97.10108	0.8
98.20574	0.7
103.05386	0.3
105.06987	0.4
107.08537	0.7
109.10107	0.6
111.03741	0.5
111.04420	4.8
117.06959	0.4
117.40070	0.3
119.08514	0.4
121.02775	1.2
121.10084	0.4
123.11625	0.3
129.06981	0.7
133.10081	0.5
137.13194	0.9
139.03854	2.7
139.05412	0.4
141.06909	0.9
143.08467	0.4
152.06108	0.3
153.01746	0.6
153.06944	3.1
155.04878	0.5
155.08435	0.4
155.13106	0.4
155.14250	3.2
157.06322	0.5
162.01030	0.3
165.06946	3.4
167.04819	0.5
167.08490	1.1
169.06430	1.3
171.08012	0.6
173.05923	6.0
177.06917	0.4
179.08441	0.7
181.04875	0.6
181.06439	8.8
182.06873	0.7
183.07988	1.2
185.05885	2.6
187.03772	0.4
187.07480	0.5
189.05318	0.8
189.06993	0.8
190.07806	0.4
191.06934	0.4
191.08484	1.3
193.06439	3.9
195.04318	0.5
195.08005	3.0
197.05925	6.4
198.06517	1.0
199.07506	10.2
200.07828	0.5
201.05403	4.3
203.08490	0.5
205.06404	1.4
205.10121	0.6
206.07227	0.4
207.07957	1.9
209.05956	4.9
209.09608	0.7
210.06693	7.4
211.07484	7.5
212.07893	0.6
213.05415	7.5
213.08925	1.7
217.04898	0.9
218.07137	0.7
219.08002	2.3
219.11494	0.4
221.05887	1.1
221.09492	0.7
222.06644	0.7
223.07494	6.5
224.08128	1.1
225.05403	4.4
225.09053	1.0
226.06143	1.3
227.06972	7.8
231.08089	0.7
233.05887	0.6
233.09613	0.8
234.06689	1.1
235.07460	5.7
236.08173	1.1
237.05420	3.4
237.08975	2.6
238.06058	0.8
239.06967	7.0
240.07658	0.8
241.02522	0.6
241.04901	10.3
241.08656	0.9
242.05534	0.5
247.07478	3.7
248.08150	0.7
249.09052	1.9
250.06134	1.5
250.09988	0.5
251.06987	5.2
251.10518	0.9
252.07547	0.7
253.04912	1.7
253.08501	1.6
254.05742	0.9
255.06442	7.5
257.04343	2.4
260.08221	0.4
261.09000	1.9
263.06976	1.7
263.10739	0.4
264.07712	1.4
265.04993	1.1
265.08493	2.7
267.06503	1.3
267.09604	0.3
268.07446	0.5
269.04373	1.0
269.07834	0.6
270.05099	0.6
271.05878	0.6
273.08942	0.4
274.09866	0.7
275.07101	0.6
275.10571	0.5
277.08630	0.6
278.09222	0.3
279.06500	0.6
279.09753	0.3
281.07983	0.5
289.08514	0.6
293.18860	0.4
295.17035	0.3
299.10901	0.4
303.17154	0.5
307.30542	0.4
311.18600	1.3
319.36087	0.3
321.18439	4.1
323.16559	0.9
323.19968	19.7
324.20313	1.1
325.17950	0.8
331.16922	2.5
333.18262	0.3
339.19467	3.3
340.19830	0.4
349.17908	10.0
349.21497	0.7
350.18164	0.8
351.19495	6.0
352.19580	0.3
363.19345	0.7
365.21078	0.8
367.18961	49.1
368.19351	3.5
377.17307	1.6
377.21448	0.4
381.20459	0.6
383.18436	10.0
383.23154	0.7
384.18958	0.8
385.19937	0.6
389.20953	2.1
391.18634	0.7
391.23016	0.7
393.20587	1.0
395.18588	1.7
401.21228	1.0
403.22513	0.6
405.20508	1.0
409.19809	0.5
415.22598	0.8
449.33878	0.4
459.32602	0.6
475.32043	1.6
477.33554	17.8
478.33728	1.6
479.31256	2.1
485.30374	1.2
493.32990	2.4
503.31497	11.3
504.32065	1.7
505.38858	0.9
521.32520	100.0
522.32910	9.6
523.23340	3.7
524.23126	0.5
539.22662	6.4
540.23022	0.8
677.35657	1.5
695.37958	4.3
696.36853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.4
55.05500	5.6
57.03414	0.6
57.07064	14.9
62.51590	0.4
65.03928	6.0
67.05491	22.5
68.99768	0.5
69.03408	0.7
69.07057	8.2
69.45071	2.2
69.45503	3.0
71.04961	0.5
71.08622	14.7
79.05482	2.5
81.03397	0.5
81.07038	12.1
83.04966	6.7
83.08592	1.5
84.42910	0.5
85.02885	1.0
85.10168	7.8
91.05466	1.5
93.03394	3.0
93.07027	2.3
95.04951	4.1
95.08584	10.2
97.06454	0.6
105.07027	1.1
107.08562	1.6
109.10173	0.7
111.04411	3.7
119.08559	0.5
121.02856	0.9
121.10146	0.9
123.11739	0.5
131.08566	0.4
133.10197	0.5
135.11612	0.9
137.13225	0.9
139.03888	2.8
141.06932	0.6
145.06456	0.9
152.06248	0.4
153.01790	13.5
153.06990	3.1
154.33466	0.5
155.08600	0.7
155.14268	3.8
161.06004	0.5
165.06987	3.4
167.08575	0.6
169.06462	1.0
171.08061	0.6
173.05945	7.1
176.06287	0.5
179.08549	1.1
181.06451	7.5
181.10069	0.6
183.07985	0.7
184.07303	0.8
185.05988	2.7
187.03880	0.6
189.07005	0.6
191.08580	1.1
193.06439	4.0
194.07048	0.5
195.08038	2.7
197.05948	5.0
198.06737	0.7
199.07509	9.6
199.09288	0.9
199.11441	0.6
201.05391	4.0
203.08580	0.6
205.06456	0.7
205.10136	0.5
207.07939	2.1
209.05914	5.1
209.09483	0.6
210.06711	6.3
211.07468	7.2
213.05428	7.5
213.09116	1.9
214.05902	0.6
217.04819	0.8
217.06615	0.6
218.07239	0.9
219.08057	2.3
221.05908	0.9
222.06734	0.9
223.03961	0.5
223.07521	6.5
224.08192	1.0
225.05434	3.9
225.08919	0.9
226.06218	1.8
227.06938	5.8
229.04866	0.6
231.08047	0.8
233.05980	0.6
233.09535	0.9
234.06564	0.6
235.07460	4.8
236.08231	0.9
237.05368	3.9
237.08981	3.0
238.06195	0.8
239.06981	6.7
241.04918	10.6
241.08655	1.2
242.05568	0.8
247.07542	3.4
248.08228	0.8
249.09076	2.4
250.06322	1.6
251.06981	4.4
251.10661	1.1
252.07483	0.9
253.04942	2.1
253.08560	1.4
254.05595	1.1
255.06487	7.8
256.06888	0.5
257.04468	1.5
261.09039	1.7
263.07056	2.1
264.07828	1.0
265.05008	1.6
265.08405	2.5
267.06491	2.0
267.10400	0.6
269.04379	1.2
269.08185	0.5
271.06003	0.8
277.08640	0.7
279.06604	1.0
279.09882	0.5
281.08102	0.7
295.06015	1.1
297.03961	0.6
297.18463	1.0
298.04776	0.6
303.17258	0.7
311.18634	0.6
313.16196	0.6
321.18393	3.6
323.05450	1.4
323.16534	0.7
323.19952	18.3
323.23727	1.0
325.17963	1.6
331.16855	2.0
335.25781	0.6
339.19391	3.2
341.06604	0.5
341.17413	0.7
343.04617	2.8
349.17911	9.9
349.21564	0.8
351.04919	2.3
351.19510	5.4
353.06519	0.9
353.17233	0.8
367.18976	42.7
368.19318	1.6
369.06039	3.1
377.17459	1.6
383.18497	8.3
389.21155	2.0
391.18912	1.0
393.20700	0.7
395.18448	2.1
401.21164	1.3
403.22690	0.6
405.20349	0.8
459.18173	0.7
475.32043	2.2
477.19193	1.2
477.33554	16.0
478.33765	1.3
479.31339	2.5
485.30466	1.5
487.17493	0.7
489.35812	0.9
493.33020	2.5
495.20026	1.2
503.31528	11.1
504.31918	1.1
505.18365	2.9
507.20047	1.5
521.32538	100.0
522.33038	7.0
523.19855	7.5
539.22565	5.2
631.32111	0.7
649.33514	1.2
659.32495	0.9
677.33051	8.1
678.33655	1.0
695.37848	6.5
696.38300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01852	1.3
55.05499	6.2
57.07066	18.8
60.61486	0.5
65.03927	3.2
67.01841	1.4
67.05130	0.8
67.05493	15.4
68.56638	0.5
68.99779	2.9
69.03413	0.9
69.07058	8.7
70.24113	3.0
71.08619	23.2
73.69092	0.5
79.05480	2.8
81.06595	1.1
81.07046	16.8
83.04968	2.5
83.08583	2.8
85.10166	11.5
85.42822	0.6
91.05494	1.3
93.03371	0.8
93.07035	1.8
95.04957	2.0
95.08590	17.6
97.10146	1.1
98.21336	0.9
104.38842	0.5
105.03376	0.6
105.07041	1.2
107.08542	0.7
109.10130	0.6
111.00790	2.9
111.04390	1.4
117.32440	0.5
119.08532	0.8
121.02901	0.6
125.05884	0.6
127.03968	0.7
129.07010	0.6
137.02264	0.6
137.13225	1.0
139.03877	2.2
141.02045	0.5
141.06938	0.6
145.06461	1.7
147.04378	0.7
153.01802	100.0
153.06964	1.8
154.02155	1.5
155.14267	3.9
157.06493	1.8
159.04340	0.7
161.05966	1.3
165.01801	0.8
165.06987	2.1
167.08566	1.0
169.06422	1.3
171.02893	1.9
171.04398	2.4
173.05972	1.5
175.03958	0.7
175.07533	0.7
179.03355	1.4
179.08569	1.0
181.06432	4.4
181.10182	0.6
183.04469	1.0
183.08078	1.1
185.05920	4.4
187.03877	2.2
187.07509	0.8
187.89880	0.5
189.05389	1.4
191.03293	0.8
193.06467	1.4
195.08025	1.5
197.05908	4.0
199.03897	2.2
199.07526	2.3
200.04619	1.3
201.05536	3.0
203.03300	0.8
203.06909	0.8
203.08620	0.8
205.04887	0.9
207.08047	1.5
208.46336	0.7
209.05888	3.8
210.06747	1.8
211.03896	1.2
211.07468	3.2
213.05446	5.5
215.03365	2.2
216.04131	2.5
217.04930	1.6
219.08107	1.2
221.05975	1.4
223.07503	2.9
225.05411	3.1
226.06154	0.8
227.06972	4.8
229.04907	4.7
230.05852	0.6
231.06447	1.5
235.07542	1.9
237.05446	1.6
237.08974	1.0
239.03333	1.7
239.06987	3.5
241.04918	5.2
242.05650	0.6
243.02826	1.4
243.06593	0.7
249.05556	1.2
249.08981	1.3
250.06210	0.7
251.06926	2.8
251.10748	0.9
253.04935	4.2
253.08539	0.8
255.06381	4.2
256.07239	0.7
257.04437	2.8
263.07040	1.6
264.07690	0.7
265.04977	1.1
265.08398	0.8
267.03787	0.7
267.06412	4.2
269.04373	2.9
277.04926	2.1
277.08124	0.7
278.05481	0.7
279.06464	1.8
280.07120	0.8
281.04379	2.0
282.05106	0.7
283.05823	3.3
285.07233	0.6
290.05316	0.6
291.06424	0.8
291.15878	1.4
293.04562	1.2
294.05234	1.2
295.05981	11.4
296.06583	0.8
297.03900	6.2
297.07053	1.0
297.18451	2.0
298.04630	2.4
299.05396	1.0
303.06168	0.6
305.04391	1.8
305.07736	0.6
306.05148	0.8
307.05917	2.2
309.03912	2.2
309.07379	0.9
310.04456	0.6
311.05460	6.8
312.06360	2.9
312.17133	0.8
313.07068	1.2
313.17935	0.6
319.05896	1.8
321.03973	1.4
321.07489	0.8
322.04556	3.5
323.05444	10.9
323.16534	0.9
323.19913	5.2
324.06073	2.3
325.03253	2.6
325.06937	1.2
325.17831	3.3
326.04132	3.7
327.05011	1.6
331.05984	0.7
333.03940	0.7
333.07550	1.2
335.05444	7.4
335.16321	0.7
336.06024	1.1
337.03284	0.9
337.06979	1.7
339.05008	2.2
339.19577	1.6
340.05655	3.2
341.06387	4.5
341.17712	0.8
343.04419	3.6
343.18924	1.9
345.07477	0.7
347.05304	2.7
349.06830	0.8
349.18060	2.0
350.03876	0.8
351.04932	23.4
351.15582	1.0
351.19354	2.4
352.04990	0.7
353.06415	6.5
353.17413	3.6
354.06473	0.8
361.06949	1.3
363.04916	1.6
364.05542	0.7
365.06610	3.5
365.17697	1.3
367.14767	1.2
367.18997	16.5
369.05994	20.7
369.16858	1.8
370.06079	0.8
371.18442	1.6
375.04941	0.7
379.04358	0.8
379.15134	0.8
379.19446	0.7
381.05975	1.0
383.18491	2.2
387.07178	1.0
389.06317	1.3
397.16275	0.7
421.20526	0.7
431.18948	1.2
449.19547	2.0
459.18060	4.5
469.16028	0.8
476.18124	0.7
477.18994	11.8
477.33688	1.2
479.31369	1.8
487.17447	8.6
489.18832	1.3
495.20071	7.5
495.30908	1.3
497.32742	1.0
503.31519	2.7
505.18484	28.4
506.18826	1.5
507.20044	11.2
507.30954	1.1
519.19562	0.8
521.32538	23.3
521.40540	1.2
522.32739	0.9
523.19550	65.0
524.19836	2.4
525.31927	1.4
539.22729	0.9
541.20575	0.9
631.32520	1.5
641.30829	1.0
649.33508	10.7
659.32220	7.4
677.33087	70.9
678.32941	3.4
695.37866	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	695.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98960	0.2
53.03927	0.7
55.01859	0.9
55.05506	1.4
57.03428	1.8
59.04997	0.2
61.02912	4.9
67.05502	2.8
69.03418	3.0
69.07051	1.0
69.46403	0.3
69.46803	2.2
71.01344	0.3
71.04967	1.0
73.02909	3.2
75.82005	0.2
77.68935	0.2
79.05485	2.2
81.02927	0.3
81.03402	4.5
81.07037	2.7
82.03758	0.4
83.01322	0.4
83.04969	1.2
83.08611	1.8
85.02891	5.8
85.03378	0.4
85.06531	0.2
86.09702	0.5
87.04489	0.4
91.03947	3.1
91.05460	3.0
93.07029	2.4
94.07416	0.2
95.04953	1.8
95.08600	1.3
97.02882	3.7
97.06509	0.3
97.10153	0.3
99.00858	0.2
99.04435	0.8
101.02369	1.6
103.03957	0.4
105.07020	1.9
106.07404	0.2
107.04942	0.9
107.08568	1.3
109.02866	0.9
109.06537	0.6
109.10149	0.9
111.04435	0.3
111.08078	0.7
113.06017	0.2
115.03924	0.3
117.07011	0.7
119.08568	1.9
121.06526	0.2
121.10103	1.3
123.08074	0.8
123.11597	0.2
124.99997	0.3
125.09641	0.4
127.03884	1.5
129.06992	1.0
131.08549	1.0
133.10124	1.2
135.11693	1.0
137.09645	0.3
141.38455	0.2
145.04976	0.4
145.10133	1.2
147.08046	0.3
147.11658	1.2
149.09641	0.6
157.10139	1.1
163.11159	1.9
173.09630	0.4
175.11198	0.6
184.07300	1.8
185.04202	0.5
185.07686	0.3
193.12231	1.7
194.12646	0.2
198.52086	0.2
203.05280	0.3
209.11838	0.5
211.11542	0.2
211.13220	1.1
212.13496	0.2
243.08345	2.3
249.10887	0.3
251.12564	0.9
255.15973	0.3
259.10818	0.3
267.15915	0.6
268.16187	0.5
269.17447	0.3
270.18094	0.2
283.15479	0.9
285.16971	0.5
303.03397	0.3
305.13669	0.3
307.15207	0.6
439.26923	0.5
440.27222	0.9
445.21463	0.2
447.27289	0.4
448.27551	0.4
461.28867	0.4
462.29376	0.9
465.28503	0.3
466.28693	0.8
467.18826	7.4
468.19208	0.2
469.20383	6.8
469.26730	0.4
479.30392	0.3
497.30585	0.3
498.30756	0.5
533.27002	0.2
578.74609	0.2
677.33447	0.2
695.32367	100.0
696.32483	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	694.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01852	0.8
55.05502	6.2
56.35414	0.4
57.03427	11.5
57.07035	0.8
61.02892	1.1
65.03903	0.8
67.05491	22.8
68.05801	0.4
69.03393	1.8
69.06728	0.5
69.07056	6.7
69.73500	0.9
69.73907	2.9
71.01340	2.7
71.04981	3.1
73.02881	0.5
78.07710	0.4
79.05479	22.4
80.05794	0.4
81.03403	42.5
81.07042	15.3
82.03744	0.6
82.98946	0.4
83.04970	6.7
83.08604	9.9
85.02890	2.1
85.06509	1.6
86.09659	0.4
89.51419	0.4
91.04904	0.7
91.05461	13.1
93.07026	25.5
95.04948	15.4
95.08595	4.7
97.02850	1.8
97.05943	0.5
97.06512	6.3
97.10150	6.5
99.04435	0.6
99.08043	1.5
102.35497	0.3
105.07012	6.6
107.04949	3.8
107.08572	16.5
109.06492	2.0
109.10140	4.0
111.04394	1.0
111.07356	0.6
111.08062	4.6
115.05421	1.0
116.13837	0.4
117.07000	2.8
119.04929	0.9
119.08556	8.3
121.06509	2.4
121.10123	5.5
123.04388	0.4
123.08017	1.1
125.05972	0.7
125.09592	1.6
129.06973	4.5
131.08545	3.8
132.04768	0.4
133.06471	1.2
133.10103	4.6
135.07999	1.2
135.11667	29.0
137.09560	1.6
142.07745	1.3
143.08551	0.7
145.10098	5.5
145.54756	0.4
147.07982	1.5
147.11646	3.4
149.09578	2.0
151.11134	0.7
153.12720	0.9
157.10092	4.9
163.11151	4.9
165.12730	1.3
175.11156	4.7
177.05386	0.5
181.12241	5.2
184.07288	1.4
192.34390	0.4
193.12206	12.3
193.32605	0.4
211.13307	1.2
247.98015	0.4
249.14771	1.4
255.15877	57.4
256.16101	1.9
267.15863	39.3
268.16147	1.2
269.17441	0.8
273.14764	0.6
283.15216	0.6
285.16882	0.8
317.17422	0.8
318.17715	0.7
329.21036	0.7
334.09659	0.4
347.05243	0.6
348.05911	0.9
355.22375	0.7
403.24670	1.1
421.25757	8.2
422.25845	0.5
429.26447	1.3
433.57834	0.4
439.26248	0.5
447.27341	100.0
448.27676	7.3
461.29083	0.6
465.28500	3.4
467.18835	0.8
469.19763	0.7
479.30191	1.9
489.28485	1.3
497.30823	1.0
555.28925	1.1
597.83759	0.5
645.95190	0.5
694.30829	2.6
695.32043	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	694.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87471	0.6
53.03931	2.1
55.01856	4.0
55.05499	17.1
57.03145	0.9
57.03424	16.3
57.07064	1.5
59.04980	4.0
59.25782	0.6
61.02915	5.6
62.97471	0.7
65.03925	3.2
67.05490	100.0
68.05813	1.2
69.03422	6.0
69.07055	11.8
70.76256	2.2
71.01350	1.4
71.04976	30.7
73.02901	2.1
79.05475	35.9
80.05843	0.6
81.03400	52.4
81.07041	43.2
82.03738	0.8
83.04963	16.7
83.08599	25.2
85.02888	25.1
85.06522	5.9
86.03206	0.7
86.09677	3.7
87.04405	0.7
91.03947	2.2
91.05460	46.3
92.05825	0.9
93.07024	38.5
95.04946	25.2
95.08583	20.5
95.09174	1.4
97.02867	7.5
97.06505	7.6
97.10139	6.2
99.04453	1.5
99.08073	2.7
103.05460	0.9
105.07012	21.8
107.04920	8.1
107.08572	18.1
109.02834	0.9
109.06493	6.9
109.10133	75.5
110.10478	1.5
111.04443	3.2
111.08057	11.8
111.08779	0.8
113.05979	2.8
115.05429	1.4
116.06247	0.8
117.06987	5.9
119.04957	0.9
119.08556	30.7
120.08887	1.2
121.06511	3.1
121.10125	11.8
123.08080	2.7
123.11706	1.5
125.00008	2.8
125.09658	2.4
127.03896	1.9
127.07475	0.8
129.06984	11.1
131.08548	12.5
133.06488	2.7
133.10106	15.3
135.08060	2.3
135.11667	17.2
137.09584	13.5
142.07767	2.1
145.10112	6.9
147.07988	3.5
147.11649	17.2
149.09575	5.4
149.13266	1.3
151.11182	1.7
153.12688	1.1
155.08623	0.9
155.10617	3.9
157.10103	15.6
159.11688	1.4
163.03918	0.9
163.11145	6.7
165.12773	2.8
169.12276	2.9
173.11722	11.9
173.13249	0.9
175.11159	14.7
175.12604	1.0
181.12164	4.0
184.07315	13.8
184.08844	1.0
187.03809	1.0
187.13287	1.3
191.14279	0.7
193.08621	2.8
193.12201	33.0
194.08934	1.4
194.12601	1.5
199.13383	1.0
211.13257	38.5
212.13765	1.1
229.14334	4.0
237.14935	1.2
239.16371	1.4
243.15860	3.2
249.14912	1.0
255.15857	16.1
263.07172	1.0
264.04492	0.6
264.53717	0.7
267.15857	20.1
269.17548	4.0
273.74722	0.7
283.15460	1.5
285.16888	22.7
286.17365	0.8
287.18472	25.3
288.19043	0.8
292.06827	0.7
306.88657	0.8
319.05859	1.0
320.06366	0.9
329.20953	1.0
347.05685	2.1
348.05777	3.0
365.07135	0.8
371.24225	0.7
403.24680	3.2
403.52420	0.8
421.25760	32.7
422.26273	1.9
429.26410	1.9
439.26837	78.2
440.27209	3.8
447.27344	55.8
448.27823	2.8
453.28339	12.9
461.28903	8.9
465.28412	67.5
466.28827	3.5
479.30014	7.7
497.30994	55.4
498.31693	2.5
609.32526	1.6
641.35333	1.8
644.35217	1.1
694.31091	1.4
695.32385	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	694.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58161	0.4
52.99887	0.3
53.03933	1.1
55.01855	0.7
55.05500	8.7
57.03428	4.0
57.07068	3.2
59.30858	0.4
61.02916	23.1
65.03927	1.1
65.23180	0.4
67.05493	49.2
68.63869	0.5
69.03408	2.6
69.07056	9.7
70.05804	1.8
71.04966	2.5
71.08624	0.8
73.02901	9.7
75.04482	1.1
77.03930	0.8
79.05479	27.7
80.05796	0.5
81.03403	1.4
81.07041	58.2
81.24882	0.4
83.04972	1.2
83.08604	5.9
85.02891	29.1
85.06530	2.7
86.27084	0.5
87.04475	0.7
91.03940	26.7
91.05460	15.7
92.97883	0.4
92.98481	0.4
93.07027	38.4
94.07377	0.5
95.04961	2.8
95.08589	46.1
97.02869	15.2
97.06507	2.3
97.10146	3.8
99.04438	1.7
99.08081	2.6
101.54032	0.4
103.03940	0.9
105.07013	14.2
107.08573	29.3
108.08943	0.5
109.02843	0.7
109.06517	1.3
109.10136	29.7
110.10538	0.4
111.08076	2.1
111.11724	1.0
113.09646	1.3
115.03921	1.3
117.06994	6.3
119.08556	13.6
121.10120	29.2
122.10398	0.4
123.08081	0.9
123.11684	15.4
125.09603	1.3
127.03888	11.6
127.11222	0.5
129.07011	0.6
131.08537	17.6
133.10104	11.8
135.11664	23.7
137.09601	2.2
137.13234	6.7
139.11166	1.4
145.04927	13.8
145.10097	13.6
146.64388	0.4
147.11659	9.9
149.09604	0.7
149.13231	19.6
151.11174	1.9
151.14735	2.1
153.12723	1.3
159.11674	13.4
161.13228	10.1
163.05988	23.7
163.11174	0.7
163.14789	16.4
165.12715	2.8
165.16328	0.5
167.14418	0.5
173.13231	13.8
175.14757	3.6
177.12746	1.8
177.16353	6.1
179.14238	3.0
187.14796	7.8
189.16385	0.9
191.14301	2.0
193.15805	0.4
201.16325	3.4
201.27344	0.4
204.08481	0.5
205.15807	2.0
215.17899	1.3
219.17416	1.5
233.22650	3.5
243.21034	35.8
244.21393	0.6
245.17542	0.6
245.22514	0.7
261.22092	100.0
262.22437	1.5
263.23630	2.9
275.92816	0.4
279.23117	2.8
283.19263	0.5
297.20773	0.7
317.24814	1.0
335.25726	18.7
353.26797	69.8
354.27225	1.7
405.25989	0.5
456.07928	0.5
497.31046	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70085	0.1
51.02383	0.1
53.03938	0.3
55.05499	2.8
57.03437	0.2
57.07071	0.6
61.02919	0.2
65.03924	0.5
67.05492	0.9
67.20877	0.1
69.03414	3.9
69.07061	1.1
70.06561	0.1
71.04991	0.3
71.81779	0.2
73.02902	0.1
76.02218	0.3
79.05479	5.9
81.03404	0.4
81.07047	0.6
83.04962	5.0
83.08601	0.5
84.04490	0.2
85.02898	2.0
85.06541	0.2
91.05461	4.2
92.06269	0.3
93.07023	1.8
95.04954	0.4
95.08080	0.1
95.08575	0.7
97.02864	0.7
97.06535	0.2
99.04417	0.5
103.03928	1.4
103.05450	0.1
105.03388	0.3
105.07006	2.9
107.08573	73.5
108.08893	1.3
108.09422	0.1
109.02855	0.5
109.06502	1.9
109.10139	0.6
117.06982	0.2
119.04910	0.2
119.06053	0.5
119.08564	1.4
121.06489	0.9
121.10122	7.3
123.08035	0.5
127.03897	1.8
131.08539	1.8
133.10114	3.9
133.61671	0.1
135.04402	0.1
135.08035	3.8
135.11652	0.7
137.05930	0.3
143.08542	0.3
145.04913	1.0
145.10060	0.8
147.04390	0.4
147.11646	1.9
148.08855	0.1
149.05965	0.2
149.09653	0.8
149.13226	6.9
150.06763	0.3
150.13548	0.2
153.09091	0.6
154.73082	0.1
158.10904	1.2
161.05962	0.2
161.09604	0.5
162.06726	0.5
163.03896	0.3
163.05998	1.5
163.14778	0.8
164.40656	0.1
167.06992	0.4
173.09468	0.2
173.13235	3.9
176.11922	0.4
176.31409	0.1
177.05466	0.3
179.04826	0.3
180.08597	0.3
181.08565	0.3
187.03885	0.2
191.14273	100.0
192.14619	3.3
201.09062	0.2
205.07097	0.1
209.15451	0.2
233.11633	0.3
271.08154	0.3
287.05438	1.0
289.09183	0.3
303.04916	0.5
307.10297	0.7
308.08984	0.4
311.09039	0.3
323.09286	0.2
326.98517	0.1
341.10153	1.1
387.17737	0.2
394.16754	0.1
433.12927	0.2
597.73743	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	693.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01864	2.2
55.05502	18.7
56.00806	0.4
56.67006	0.3
57.03428	3.4
57.06823	0.5
57.07066	6.6
61.02897	0.5
65.03914	0.5
66.06410	0.3
67.05489	12.2
68.05811	0.4
69.03419	1.3
69.07056	21.9
71.04984	1.9
71.08627	4.6
71.32331	0.4
73.02897	0.4
79.05005	0.6
79.05477	10.9
80.05791	0.5
81.03401	14.8
81.07040	13.5
81.07527	0.6
82.34743	0.4
83.04961	4.9
83.08603	20.5
85.02888	7.6
85.06532	1.2
85.10159	2.0
86.09665	0.6
90.93262	0.3
91.03986	0.4
91.05466	14.0
93.07024	8.8
95.04951	8.1
95.08589	7.0
97.02858	1.8
97.06493	1.9
97.10149	11.5
98.21459	0.9
98.98444	3.1
99.08099	0.5
105.07013	10.4
107.04939	2.6
107.08583	4.2
109.06493	1.8
109.10154	2.4
111.04434	1.0
111.08064	2.4
111.11696	2.8
113.05941	0.8
115.05486	0.6
117.06985	0.8
119.04906	0.4
119.08546	7.6
121.06469	0.5
121.10120	3.8
123.08038	0.6
123.11686	1.0
124.99985	0.4
125.13238	0.8
127.03932	0.4
127.07603	0.4
129.06953	3.6
131.08543	4.0
133.06458	0.9
133.10101	4.4
135.11638	1.7
137.09654	0.8
142.07739	1.4
145.10065	0.9
147.08012	1.2
147.11667	3.6
149.09602	2.0
149.13245	0.6
155.01047	1.1
157.10101	4.1
163.11186	1.3
165.12750	0.7
173.02193	0.6
175.11176	3.9
181.12183	0.7
184.07362	1.9
185.13123	0.3
193.12209	8.9
208.04759	0.4
211.13249	10.6
212.13632	0.4
216.46254	0.4
229.97885	0.4
234.22107	0.4
237.22083	3.8
249.14870	0.8
267.15869	4.0
283.15417	0.4
285.17007	1.4
311.25714	4.8
335.25638	0.4
339.29166	0.4
385.88348	0.4
413.17633	0.8
474.32468	0.5
475.37769	0.7
485.36276	0.7
503.37189	9.3
504.37595	1.3
507.31400	0.4
521.38269	100.0
522.38635	8.0
522.44995	0.3
531.39044	0.4
575.30670	0.4
595.47400	0.4
680.52441	0.4
693.42010	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	693.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68854	0.2
53.03930	0.6
55.01867	1.2
55.05503	1.8
55.14448	0.3
57.03425	2.0
57.07057	0.9
59.04977	0.4
61.02921	3.6
67.05492	3.7
68.05836	0.2
69.03419	3.0
69.07036	1.1
69.99371	0.2
70.06565	0.2
71.01334	0.7
71.04980	0.9
71.08606	0.7
71.54456	0.3
73.02908	3.1
74.16412	0.2
75.74554	0.2
79.05479	3.4
80.05772	0.2
81.03400	3.3
81.07042	3.9
83.01340	1.3
83.04969	1.6
83.08616	1.4
85.02890	5.8
85.10168	0.4
87.04440	0.3
91.03931	3.4
91.05463	2.0
93.07027	3.9
95.04962	1.8
95.08590	1.9
97.02874	4.5
97.06513	0.6
97.10121	0.3
99.04418	1.2
101.02359	2.1
103.03941	0.4
103.05452	0.3
105.03397	0.3
105.07008	1.3
107.04924	1.6
107.08576	1.9
108.08914	0.2
109.02855	1.0
109.06509	0.8
109.10128	1.5
110.10487	0.4
111.04395	0.5
117.06969	1.0
119.08553	1.7
121.02872	0.3
121.06540	0.3
121.10139	1.6
123.04430	0.3
123.08049	1.2
125.06000	0.2
125.09557	0.3
127.03898	1.9
129.06937	0.4
130.07803	0.3
131.04909	0.4
131.08556	0.7
133.02831	0.3
133.10109	0.5
134.10435	0.2
135.04382	0.4
135.08066	0.6
135.11678	2.5
136.12000	0.3
137.09630	0.4
139.03928	0.5
145.04936	0.3
145.06532	0.3
145.10104	2.7
146.10445	0.4
147.04393	0.4
147.08035	0.3
149.09630	0.3
153.01828	0.3
153.12769	0.7
155.08560	0.3
155.14285	0.4
159.04327	0.4
163.03853	1.3
163.11157	4.2
164.11522	0.3
173.09651	0.5
175.03900	0.2
181.06488	0.3
181.12260	0.5
184.07318	0.3
185.04269	0.3
187.03917	0.6
191.10640	0.5
193.04823	0.2
201.07590	0.3
203.03426	0.7
203.05293	0.5
209.11748	0.8
213.05482	0.3
227.12767	0.5
228.13057	0.4
231.02875	0.3
243.08333	1.9
245.06065	0.3
249.05399	0.2
249.10970	1.0
263.07047	0.7
267.16043	0.6
273.05338	0.4
281.08185	0.3
283.15353	1.7
284.15704	0.6
285.16077	0.2
286.16745	0.2
291.06467	0.8
305.04608	0.3
305.13629	0.5
313.03375	0.5
313.17853	0.4
317.17410	0.8
319.05869	1.5
321.07587	0.4
323.05347	0.3
337.07037	1.0
341.17438	0.9
347.05530	2.5
359.04080	0.5
365.06348	2.1
399.19540	0.2
437.25464	0.5
438.25601	0.8
445.20514	0.2
455.18689	0.2
463.26984	0.3
464.27417	0.8
467.18842	13.3
468.19202	0.6
473.19537	1.1
477.28467	0.3
478.28842	1.0
491.20828	0.3
495.29395	0.3
496.29712	1.8
501.18887	1.4
519.19916	1.0
531.25616	0.3
537.21582	0.2
648.69733	0.3
674.64624	0.3
693.30804	100.0
694.31152	7.6
724.75555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.05503	33.5
57.03421	19.8
57.07064	2.9
59.04992	3.6
61.02918	9.9
65.03918	2.7
67.05493	100.0
69.03419	4.2
69.07059	16.6
71.01341	2.4
71.04967	6.5
71.81486	1.8
73.02919	5.6
79.05479	40.3
81.03403	17.4
81.07042	75.7
83.01326	1.3
83.04967	10.9
83.08609	25.9
84.09654	1.2
85.02886	20.3
85.06532	5.1
87.04456	4.2
89.15920	1.1
91.03953	4.1
91.05465	27.8
93.07028	43.8
95.04961	9.1
95.08596	24.4
97.02866	7.3
97.06519	11.1
97.10151	16.6
99.08099	1.7
103.03937	2.2
105.07021	13.6
107.04949	4.9
107.08581	30.8
109.06497	3.7
109.10140	56.3
111.04403	1.6
111.08077	7.6
113.06002	1.3
117.07006	9.9
119.08553	10.3
121.06486	3.0
121.10109	13.5
123.08068	3.2
123.11710	3.2
125.09605	14.3
127.03882	1.3
129.05489	6.7
129.06960	1.8
131.08566	10.2
133.10101	14.9
135.08075	2.7
135.11662	9.4
137.09576	1.8
143.10619	1.8
145.10132	5.4
147.11662	7.0
149.09612	2.6
149.13255	12.3
151.11134	2.2
153.12749	4.0
155.10629	2.8
157.08751	1.3
157.10098	2.3
159.11649	9.8
163.11140	10.2
165.12729	4.7
173.09523	1.7
173.11697	17.4
173.13072	2.0
177.12764	5.6
181.12244	3.1
191.10643	3.9
193.12209	4.4
195.13774	15.7
195.77914	1.2
199.13316	8.6
209.11707	7.5
211.13364	3.3
213.14848	3.6
227.12769	10.1
229.14316	53.2
239.16484	4.5
241.46649	1.4
257.13803	1.6
260.30978	1.2
265.14392	1.9
267.15863	12.6
269.17441	68.3
270.17798	1.7
283.15378	8.9
295.19046	1.8
297.16788	2.4
301.16397	22.2
323.18585	2.0
351.24716	1.2
357.24179	2.0
393.26056	1.5
411.27472	6.4
423.27322	38.8
424.27472	2.7
431.27725	2.0
449.28720	1.9
477.28333	3.8
495.29456	81.9
496.29535	4.4
501.18887	2.1
513.30505	35.8
513.38104	1.8
514.30701	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.0
55.01851	3.3
55.05497	18.7
57.03153	1.0
57.03424	16.5
59.04969	1.2
59.10072	0.8
61.02908	4.8
65.03901	1.5
67.05489	26.9
69.03407	6.8
69.07054	8.7
71.04980	6.5
71.20393	2.0
73.02917	1.0
79.05476	27.6
81.03400	100.0
81.07037	32.4
83.04489	1.3
83.04964	21.7
83.08601	33.1
83.20795	0.7
84.08914	1.2
85.02888	38.4
85.06510	2.2
89.08716	0.8
91.03934	1.0
91.05457	43.1
93.07021	22.7
95.04946	37.3
95.08580	12.7
97.02848	5.8
97.06514	5.6
97.10150	5.7
99.08066	1.4
105.07002	28.0
107.04915	9.7
107.08560	10.6
109.06501	7.9
109.10147	3.9
111.04422	3.8
111.08054	14.7
112.41873	0.9
113.05962	2.9
115.05403	2.9
117.06976	1.8
119.04890	1.0
119.08557	26.6
121.06460	3.1
121.10107	12.0
123.08013	2.8
123.11690	2.5
125.09558	1.9
128.06229	0.8
129.06975	13.4
131.08528	15.8
133.06471	4.9
133.10109	16.7
135.11740	0.9
137.09586	3.1
142.07732	4.6
145.10081	2.5
147.08037	6.3
147.11646	21.9
149.09579	9.5
155.08479	0.9
157.10089	22.3
163.11108	1.5
165.12750	4.4
175.11154	20.6
189.90536	0.8
193.12201	67.5
211.13245	82.4
212.13580	1.9
223.60272	0.7
227.12711	1.1
249.14699	1.3
267.15860	35.0
268.16266	1.2
285.16907	85.4
286.17200	2.6
315.05881	0.8
367.22507	2.4
385.23596	4.7
403.24780	1.6
433.25723	1.3
441.26154	2.6
456.85425	0.8
459.27338	25.5
477.28339	25.9
489.80640	0.9
495.29425	77.5
496.29761	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	691.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55503	1.0
53.03944	6.1
55.01868	6.8
55.05500	25.8
57.03432	15.5
57.07064	2.5
59.04979	1.3
61.71993	1.1
65.03932	4.0
66.73360	1.0
67.05495	85.5
69.03419	23.0
69.07058	30.4
71.04985	10.0
71.08613	2.7
71.25378	2.6
73.02894	2.1
77.03928	1.6
79.05482	51.7
81.02927	2.5
81.03407	38.2
81.07044	100.0
82.07390	1.1
83.04967	21.2
83.08612	14.9
85.02892	8.2
85.06506	4.0
88.05350	1.1
91.05469	43.7
93.07031	65.0
95.04955	14.7
95.08592	51.3
97.02863	12.5
97.06514	10.1
97.10150	4.9
98.98446	2.8
99.04431	5.1
99.08075	3.4
103.05405	1.8
105.07016	32.5
107.04953	6.6
107.08579	41.0
108.08944	1.0
109.02847	5.8
109.06493	7.3
109.10143	17.3
111.04434	6.5
111.08067	7.0
111.11692	1.3
115.05409	1.5
117.06992	18.6
118.41340	1.2
119.04848	1.1
119.08566	25.2
121.06499	5.4
121.10139	29.9
121.11047	1.7
123.04398	2.4
123.08053	5.0
123.11700	8.8
125.09615	2.6
127.03847	5.8
127.07533	1.8
128.06209	1.8
129.05464	10.4
129.06979	9.6
131.04904	1.4
131.08565	22.4
133.06465	3.9
133.10103	19.8
135.04417	1.3
135.08025	5.4
135.11670	16.9
137.09581	1.3
137.13220	1.4
139.11174	2.0
141.06985	2.3
142.07756	1.6
143.08531	7.7
145.06456	2.7
145.10095	16.1
147.07991	2.9
147.11659	15.2
149.06010	1.4
149.09596	3.8
149.13242	18.5
153.12708	1.4
155.08490	6.1
157.06497	1.5
157.10117	7.9
159.08031	2.8
159.11670	17.4
161.09589	3.0
161.13222	4.7
163.11168	3.6
163.14819	2.8
165.12703	4.1
167.08557	2.1
169.10107	4.2
171.11612	6.2
173.09596	3.3
173.13229	7.4
175.11191	3.0
175.14838	3.8
177.12712	7.6
179.14336	1.3
180.09302	1.4
181.10057	2.0
183.11676	5.2
184.07275	2.2
185.13197	3.8
187.07700	1.3
187.14795	2.8
193.12285	2.2
195.11937	2.0
195.13771	8.5
197.13196	3.6
199.14780	1.7
200.17146	1.3
201.12691	1.8
201.16399	1.5
203.14276	1.6
207.11623	1.2
209.13322	2.3
211.13152	1.3
211.14877	1.9
213.12787	1.5
213.14793	2.4
219.13666	1.4
225.12592	1.8
227.12563	1.9
233.15427	1.5
243.21034	2.3
249.14792	1.6
251.16428	1.5
257.15320	1.4
261.22217	6.5
267.15878	5.7
269.14685	1.8
269.17456	32.4
273.22067	1.6
275.16336	1.8
277.21524	2.1
279.23203	1.7
283.15247	2.4
301.21509	3.9
303.23141	2.9
305.31708	1.3
308.29379	1.7
309.29819	2.6
311.25888	3.0
315.22998	2.1
317.24814	1.9
321.16995	2.0
323.17709	1.2
327.23135	1.3
335.25757	27.8
337.27380	3.3
339.17950	4.0
341.24637	2.8
345.24127	2.4
351.23145	4.9
363.25146	1.7
369.24213	7.6
387.25217	4.4
405.26291	4.1
411.19736	2.0
413.21609	10.5
437.33820	2.5
443.27942	1.9
461.28833	4.4
463.30096	1.4
479.29999	4.2
519.36725	8.5
529.38831	48.7
530.38928	2.8
547.39905	1.6
549.24323	1.2
569.38348	1.7
592.32843	1.3
622.13666	1.2
637.41260	3.3
655.42340	5.6
673.42944	22.1
674.42346	1.5
691.44214	13.2
700.95526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03483	0.3
53.03934	1.1
53.66095	0.3
55.01854	1.0
55.05501	3.2
56.98957	0.3
57.03428	2.7
57.07059	1.1
59.04977	0.6
61.02916	5.2
63.14021	0.3
67.05495	13.5
69.03417	4.1
69.07059	3.9
70.25262	1.6
71.04967	1.0
71.08637	0.5
73.02909	3.7
79.05479	5.3
81.03409	6.1
81.06593	0.5
81.07050	8.5
83.04967	1.3
83.08608	3.3
84.04487	0.5
85.02895	6.4
85.10197	0.4
86.09710	0.4
91.03938	3.4
91.05470	3.8
92.52401	0.3
93.07034	4.6
95.04965	1.7
95.08598	5.9
97.02883	6.1
97.06522	0.5
97.10149	1.2
98.21339	0.4
98.98451	1.0
99.04436	1.0
101.02364	2.3
103.03922	0.4
105.07027	3.2
107.04934	0.8
107.08601	3.4
109.02864	1.8
109.06503	0.6
109.10141	9.6
111.04460	1.0
111.08062	0.6
117.06982	1.3
119.08563	2.8
121.06528	0.7
121.10126	2.3
123.11715	0.9
125.00058	0.3
125.09599	0.4
127.03918	2.0
128.06203	0.4
129.07004	1.1
130.06522	0.5
131.08557	1.3
133.10124	1.6
135.11703	1.8
135.36552	0.3
137.09637	0.6
143.08505	0.4
144.07983	0.3
145.04993	0.5
145.06456	0.3
145.10106	1.4
146.09589	0.8
147.08025	0.7
147.11688	1.2
149.09581	0.5
149.13258	0.9
153.01828	0.7
155.01051	0.5
155.08585	0.4
157.10132	0.5
159.11720	0.6
161.13261	0.6
163.11186	0.7
165.12715	0.4
168.86449	0.3
169.10016	0.5
173.11737	2.4
175.11203	0.4
181.12254	0.4
184.07376	1.2
185.04228	0.7
191.10596	0.5
193.12282	1.1
195.09903	0.8
195.13867	0.4
209.11714	1.9
211.13222	1.8
227.12683	0.5
229.14381	1.9
235.13142	0.5
237.22226	0.4
237.24564	0.3
243.08382	2.5
247.44794	0.4
251.12572	0.4
267.15936	0.8
285.17014	0.5
300.23248	3.8
309.30212	0.4
311.25800	0.8
335.25925	0.9
337.27197	0.7
380.13641	0.3
413.17786	10.5
489.52042	0.3
501.35983	0.7
519.29187	4.6
519.36871	3.9
529.38788	1.1
547.39899	0.4
659.32501	0.5
673.42841	0.7
691.40173	100.0
692.40540	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	691.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01857	0.5
55.05496	2.9
57.03428	2.4
57.07066	1.0
59.04983	0.3
61.02918	5.9
64.91651	0.3
65.03926	0.4
67.05492	11.7
69.03415	4.3
69.07063	2.9
70.91396	0.8
71.01334	0.4
71.04967	1.0
71.08601	0.4
73.02901	4.3
77.03849	0.3
79.05476	4.3
81.03400	5.3
81.07043	8.0
83.04964	1.2
83.08605	1.9
84.04486	0.4
85.02888	6.5
86.09690	1.2
87.04456	0.8
87.10026	0.4
91.03947	4.6
91.05466	4.4
93.07028	5.8
95.04939	1.5
95.08595	5.5
97.02872	6.3
97.06519	0.7
97.10155	0.8
98.98465	0.9
99.04421	0.6
101.02340	1.9
103.03935	0.4
105.07026	2.5
107.04912	0.6
107.08563	2.8
109.02885	1.2
109.06506	0.6
109.10136	6.9
111.04437	1.0
111.08060	0.8
111.84261	0.3
115.03914	0.5
117.06993	0.8
119.08553	2.2
121.10122	2.6
123.10835	0.3
123.11703	0.9
124.99989	0.4
127.03889	2.0
129.06964	0.6
131.08527	1.6
133.10110	1.4
135.11636	2.1
137.09625	0.4
143.08592	0.6
145.04964	0.4
145.10135	1.1
147.11647	0.7
149.09586	0.3
149.13278	0.7
155.01009	0.3
155.10637	0.4
157.10094	0.4
159.11638	0.5
161.13225	0.3
163.11131	0.7
173.09685	0.3
173.11694	1.5
173.13138	0.5
175.11214	0.6
175.14804	0.4
184.07335	2.8
185.04257	0.9
185.07652	1.0
186.07733	0.6
193.12256	1.2
195.09901	1.1
203.05290	0.7
209.11629	1.8
211.13205	1.8
227.12733	0.7
229.14398	0.7
243.08308	1.9
259.17294	0.3
259.20474	0.3
261.21948	0.4
267.16257	0.4
283.15445	0.4
285.17081	0.4
300.23209	0.9
311.25848	0.6
329.13104	0.3
335.25845	1.1
337.27130	0.4
413.17712	4.8
501.35648	0.6
519.29272	7.0
519.36792	3.8
520.29608	0.4
529.38831	0.9
673.43292	0.5
691.40125	100.0
692.40607	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	691.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.9
55.01852	4.9
57.03419	2.2
61.02917	3.1
64.40543	1.3
65.03928	2.6
67.05487	2.9
69.03421	13.4
71.01348	1.3
71.14159	1.5
71.80859	1.6
77.03971	1.9
80.83362	1.5
81.03403	4.4
83.04957	6.6
85.02887	17.9
93.03352	3.0
95.01318	12.5
95.04934	5.5
97.02872	15.8
99.00816	1.7
101.02361	2.3
101.15121	1.4
103.05447	3.1
105.03423	1.6
107.04971	1.8
109.02843	1.8
109.74412	1.6
111.04433	11.4
115.05430	3.3
117.03355	2.6
118.44041	1.7
121.02855	5.7
123.04432	4.7
127.03883	3.6
127.05376	1.7
128.06078	1.6
129.05469	2.7
129.06984	4.8
131.04935	9.1
135.04396	6.8
139.03882	5.5
139.05411	3.5
143.04898	2.8
144.37181	1.6
145.02872	3.5
145.06482	3.6
147.04382	57.4
149.05963	6.4
152.38316	1.4
155.04858	11.1
157.05069	3.5
157.06464	5.5
159.04388	3.6
160.05241	2.0
161.05951	9.6
163.03876	32.2
165.01859	3.9
167.04913	3.1
169.06532	1.5
171.04422	7.3
173.02264	4.0
173.05959	46.9
174.03056	3.1
175.03876	31.4
175.07529	2.9
177.01808	8.2
177.05437	14.6
183.04387	10.7
185.05954	15.4
187.03842	18.6
187.05327	1.6
188.04453	1.5
189.01860	2.1
189.05438	17.0
191.03380	28.8
192.03619	1.9
197.06067	2.3
199.03893	5.7
200.04695	2.0
201.01801	39.2
201.05437	70.5
202.05847	2.0
203.03366	36.2
203.06895	10.6
205.04898	7.2
205.06592	2.5
207.02814	4.0
211.03888	3.5
213.05408	21.3
214.06209	2.0
215.03387	22.2
215.06953	4.4
216.04060	2.3
217.04977	11.2
219.02888	18.7
227.03374	6.4
229.04913	36.5
230.05536	2.0
231.02803	6.8
231.06483	100.0
233.04391	59.0
237.05615	3.9
241.04936	4.3
243.02708	3.8
243.06485	2.3
245.04410	18.5
247.02328	5.1
247.05980	6.2
251.07051	2.5
255.06535	3.6
257.04434	24.2
259.02362	11.9
259.05978	4.0
263.05438	1.7
269.07922	2.7
273.03860	4.2
275.05450	30.3
277.07315	2.6
279.06448	7.8
283.02597	2.2
283.05984	3.3
285.03922	5.2
289.03412	2.1
291.04886	1.7
293.06537	18.4
295.04684	4.7
296.06277	4.2
297.07324	3.8
301.03363	3.7
303.05026	2.6
313.07086	2.3
317.06378	2.5
319.04382	12.0
325.07147	3.3
329.06732	1.9
337.05551	9.0
337.09030	2.6
341.06357	2.1
347.07388	4.5
389.08582	4.1
419.09579	2.5
426.08975	1.8
437.10693	2.2
447.11139	10.3
457.09698	4.6
463.08649	3.8
511.10699	2.3
517.00897	1.5
655.03412	1.5
660.36133	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35850	0.4
52.72115	0.5
53.03938	1.4
54.16293	0.5
55.01865	3.6
55.05500	11.6
57.03427	8.3
57.07069	0.6
59.04985	1.6
61.02919	3.6
64.48590	0.5
67.05492	14.1
69.03405	2.3
69.07056	4.3
69.92503	3.7
71.01346	0.5
71.04987	3.6
73.02897	1.1
79.05482	14.7
81.03402	34.6
81.07039	19.0
83.01341	2.9
83.04964	11.1
83.08604	16.4
84.65871	0.5
85.02892	13.6
85.06533	1.5
91.03921	1.5
91.05462	15.6
93.07025	16.6
95.04952	15.0
95.08592	6.6
97.02879	4.3
97.06520	3.4
97.10118	3.1
98.21333	1.1
98.89251	0.6
99.04430	2.1
99.08026	0.9
105.07005	11.9
107.04932	7.1
107.08570	9.2
109.06493	5.6
109.10135	1.7
111.04427	2.9
111.05139	0.5
111.08060	6.7
113.06008	1.7
117.06999	3.4
119.08563	13.0
121.06463	1.9
121.10123	8.7
123.08046	6.3
123.11671	0.7
125.05953	1.2
125.09628	1.6
129.06969	5.2
131.08543	6.7
133.06480	1.2
133.10112	6.9
135.08054	1.8
135.11670	6.3
137.09605	1.5
139.07507	0.6
142.07765	1.1
145.06467	0.7
145.10085	8.7
147.08025	2.6
147.11633	8.5
149.09581	3.5
151.11209	0.7
153.12709	1.2
155.08536	0.7
157.10103	7.4
158.07484	0.5
163.11151	12.1
165.12726	1.7
173.09586	1.6
175.11136	8.7
181.12195	2.0
191.10651	1.4
193.12210	23.3
194.12527	1.0
206.99185	0.5
209.11751	3.7
211.13251	39.4
212.13658	1.3
227.12849	1.4
267.15836	8.0
283.15353	47.1
284.15698	1.7
285.16916	32.8
286.17303	1.0
383.22101	1.6
401.23358	1.3
457.25546	3.5
475.26831	14.5
476.26935	1.3
493.27884	100.0
494.28207	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	689.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.0
51.02366	1.1
51.18233	0.7
53.03936	8.0
55.01865	7.1
55.05503	28.2
57.03429	10.7
57.07055	2.8
59.04972	1.5
61.02904	1.2
65.03931	4.2
67.05494	70.8
68.05827	1.2
69.03419	33.8
69.06719	1.3
69.07060	18.0
71.01334	1.4
71.04974	11.5
73.02887	1.1
77.03921	1.6
79.05480	68.8
80.05823	1.3
81.03406	100.0
81.07043	75.7
81.07744	1.2
82.03733	1.9
82.07362	1.5
83.04967	21.7
83.08605	25.3
85.02893	18.9
85.06549	3.7
86.09689	1.0
87.04439	1.0
91.05468	56.8
92.05784	1.0
93.07030	65.7
94.07355	1.2
95.04428	0.6
95.04951	29.1
95.08591	43.2
97.02880	21.0
97.06503	8.2
97.10160	7.2
99.04428	7.6
99.08084	3.0
103.05460	2.6
105.04498	1.8
105.07015	47.6
106.07363	1.4
107.04948	8.7
107.08571	31.3
109.02866	17.7
109.06493	8.3
109.10135	16.6
111.04424	13.8
111.08073	7.9
113.05990	2.7
114.51624	0.7
115.05453	3.0
116.06229	1.2
117.06995	18.8
117.07770	1.5
119.04940	2.1
119.08563	36.9
120.08852	0.9
121.06470	4.9
121.10123	30.0
122.10538	0.9
123.04413	3.4
123.08044	4.9
123.11676	6.7
125.05988	1.0
125.09580	4.1
127.03902	12.0
128.06226	4.5
129.05530	3.8
129.06984	16.4
131.04933	2.1
131.08546	25.6
132.08946	1.5
133.06476	4.1
133.10115	21.9
133.11116	1.3
135.04381	1.3
135.08051	2.8
135.11667	15.3
137.05965	1.9
137.09630	4.6
137.13271	1.2
139.11217	1.4
141.06958	4.1
142.07771	3.8
143.08542	7.7
145.06494	3.8
145.10100	17.7
146.10565	0.8
147.04448	0.8
147.08035	5.7
147.11662	28.5
149.05968	2.2
149.09593	7.2
149.13251	6.5
151.07451	1.0
151.11168	1.8
153.06981	1.2
153.12717	2.4
154.07744	0.8
155.08553	5.3
156.09200	1.2
157.06511	1.2
157.10106	16.9
158.10481	0.9
158.34824	0.7
159.08095	2.0
159.11681	10.1
161.06021	1.5
161.09621	2.3
161.13216	6.4
163.11157	5.4
163.14812	1.9
165.06979	1.0
165.12721	6.2
167.08566	2.5
169.10056	5.4
171.08031	2.4
171.11681	5.5
173.04477	5.6
173.06010	3.2
173.09610	2.2
173.13222	7.8
175.11147	13.5
175.14780	2.2
177.12711	1.9
178.07912	0.9
179.08569	1.3
179.10735	0.7
181.06451	1.1
181.10147	2.8
181.12262	2.9
183.11732	4.4
184.07236	1.3
185.09605	2.2
185.13284	4.6
187.03970	0.9
187.11128	1.4
187.14819	3.0
189.11168	1.4
189.12781	1.6
191.10619	4.1
193.12209	38.0
194.12587	1.2
195.07976	0.9
195.11713	2.5
195.13727	1.1
197.09747	0.9
197.13281	3.5
199.11214	1.7
199.14784	3.0
201.05484	1.1
201.12708	1.6
205.12267	1.4
206.28864	0.9
207.11826	1.2
207.13707	1.0
209.13271	2.4
211.13237	56.4
211.64995	0.8
212.13638	2.1
213.05429	1.5
213.12758	1.8
215.14287	1.7
217.05025	3.0
217.15956	1.4
223.14851	1.7
225.05492	1.2
225.12752	1.6
225.16400	1.2
227.07042	1.8
227.12592	4.9
229.04980	0.9
229.14398	3.0
235.13168	1.5
237.16379	1.0
241.19545	1.2
243.21008	2.0
245.15323	1.4
249.14923	1.5
255.13747	1.5
259.20627	1.8
261.22086	6.4
267.15927	7.9
271.20660	1.2
273.14926	1.3
277.21747	1.7
283.15503	1.6
283.20554	0.8
285.16870	9.5
289.21539	1.1
297.22043	1.4
301.14468	1.5
301.21652	2.2
304.23767	0.9
306.79965	1.0
309.22070	1.2
311.12711	1.0
313.16388	1.0
313.21707	1.0
315.23041	0.9
317.24875	1.5
319.15652	1.0
319.22943	1.1
323.23663	1.3
327.15936	0.8
327.23227	1.1
333.24469	1.3
335.25775	16.0
336.26270	1.2
337.13870	0.8
337.16537	2.6
339.23346	0.8
341.24652	1.5
345.24017	1.4
351.23184	2.5
355.17926	6.8
357.17047	1.0
365.19669	1.1
369.24255	8.3
385.16647	1.3
387.25024	4.4
393.19241	1.5
405.26382	3.1
411.19946	5.3
443.27963	3.0
461.28888	5.3
471.34103	1.1
525.35266	1.1
527.37268	12.6
528.37488	1.4
539.37384	0.9
545.38245	9.1
567.36530	1.0
585.37970	0.9
597.36542	1.0
615.37421	1.2
625.40558	1.5
635.39130	2.5
653.40356	5.6
671.41296	10.7
672.40637	1.5
689.42346	85.0
690.42731	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	689.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58718	1.1
53.00308	1.2
53.03936	9.2
53.58248	0.9
55.01860	7.9
55.05501	33.8
57.03426	13.8
57.07061	2.7
59.04997	1.0
61.02925	1.9
65.03921	4.8
67.05492	83.2
68.57175	1.1
69.03419	32.1
69.07056	23.5
70.11044	6.0
71.01349	1.8
71.04980	11.6
73.02900	1.4
73.45409	0.9
77.03915	1.5
79.05478	70.3
81.03403	100.0
81.07040	85.2
82.03761	1.0
82.07396	1.5
83.04963	20.9
83.08600	19.8
83.09060	1.5
85.02892	20.5
85.06524	3.6
91.05463	64.5
92.05811	1.1
93.07030	72.0
94.07334	1.1
95.01337	1.5
95.04953	48.6
95.08589	53.7
96.05254	1.1
97.02874	21.2
97.06497	9.4
97.10148	9.7
99.04427	8.8
99.08125	2.5
103.03914	2.2
103.05449	2.9
105.03388	1.4
105.04511	1.9
105.07013	49.0
107.04945	12.4
107.08578	37.8
107.09310	1.8
108.08966	1.0
109.02848	16.5
109.06503	10.3
109.09401	1.2
109.10144	19.7
111.04421	13.2
111.08057	9.1
111.11777	1.2
113.06004	1.4
115.05453	3.3
116.06265	1.7
117.07001	21.7
117.07770	1.7
119.04928	2.8
119.08559	35.7
121.02840	1.8
121.06483	9.2
121.10122	32.5
123.04404	11.2
123.08028	7.1
123.11708	6.9
125.05935	1.2
125.09604	4.9
127.03914	9.4
128.06239	3.5
129.05450	3.0
129.06972	19.9
130.07770	2.0
131.04926	2.8
131.08543	32.0
133.06479	6.0
133.10109	23.6
135.08078	5.2
135.11671	18.4
137.05951	2.3
137.09601	4.7
137.13194	1.3
139.04005	1.1
141.07002	2.7
142.07784	4.3
143.08543	10.0
144.09299	1.1
145.06441	5.6
145.10106	22.5
145.11177	1.6
147.04347	4.7
147.08054	6.0
147.11661	23.6
149.06021	1.9
149.09621	6.7
149.13211	7.1
151.07529	1.0
151.11194	2.0
153.06981	1.4
153.09097	2.3
153.12715	2.1
154.07848	1.2
155.08539	7.0
157.06470	3.2
157.10068	17.1
159.08075	4.1
159.11668	12.9
161.06018	3.1
161.09669	3.3
161.13229	8.4
163.07574	1.4
163.11180	8.5
163.14735	2.0
165.06984	1.7
165.12717	5.7
167.07176	1.1
167.08597	4.1
169.06552	1.4
169.10092	7.1
171.08098	2.9
171.10266	1.9
171.11630	9.6
173.04486	7.5
173.06003	3.8
173.09607	4.1
173.13234	7.5
175.07617	1.0
175.11156	13.7
175.14908	2.0
177.12769	2.8
179.08551	2.5
181.10112	3.8
181.12253	3.4
183.08138	1.9
183.11714	6.1
184.07402	1.5
185.09673	2.1
185.13208	5.5
187.07533	1.8
187.11206	2.1
187.14839	2.1
189.05458	3.1
189.11217	1.7
189.12752	3.6
190.56697	1.0
191.10713	4.6
193.10385	1.5
193.12207	31.4
195.11743	3.9
197.06012	1.2
197.09570	2.0
197.13295	4.1
199.07480	1.2
199.11203	3.1
199.14813	3.3
201.05550	1.2
201.12721	2.9
201.16252	2.0
207.11737	2.1
207.13808	2.2
209.13344	3.5
211.07504	1.9
211.11310	1.8
211.13231	44.2
213.05414	1.9
213.12791	2.5
213.16418	1.8
217.05003	1.8
217.12241	2.5
217.15961	1.2
221.13310	1.3
223.13071	1.8
223.14955	1.9
225.05510	1.9
225.09200	1.3
225.12720	1.8
227.07033	2.6
227.12732	3.7
227.14583	1.7
229.14326	2.4
231.13875	2.5
235.13188	13.9
237.12697	2.3
241.19559	2.2
249.14719	2.5
255.13857	2.1
257.18967	1.4
259.13370	3.0
259.20593	3.1
261.22079	8.1
265.14291	1.8
267.15869	10.5
273.14886	6.3
273.22202	1.8
275.20117	1.2
277.14447	2.4
277.21552	2.5
281.66281	1.0
283.15460	2.8
285.16901	9.4
291.16077	1.1
301.11530	1.2
301.14316	6.3
301.21759	2.8
309.17322	1.4
311.23904	1.2
315.23093	1.4
317.24777	1.7
319.15402	3.2
323.23721	1.9
327.15793	1.2
327.23364	2.1
333.24487	1.5
335.25790	23.2
337.13947	2.7
341.24820	2.2
345.24261	1.3
351.23254	4.6
353.24924	1.2
355.17566	4.4
363.25385	1.2
369.24173	8.7
375.17999	3.4
387.25278	6.1
393.18982	1.6
405.26431	3.2
411.20166	8.0
425.26990	1.4
435.32550	1.7
437.28961	1.4
443.27640	5.2
461.28976	5.4
471.34961	1.7
479.29868	1.5
509.36105	1.6
527.37292	14.5
545.38458	8.0
569.38330	4.3
597.36871	1.3
611.39117	2.3
635.39276	5.2
641.40503	1.7
653.40448	12.5
671.41382	15.4
689.42340	74.2
690.42657	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	689.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.4
53.03932	12.2
55.01864	9.6
55.05499	28.5
55.36904	1.5
57.03426	14.7
57.07064	4.1
65.03931	4.8
67.05490	75.2
69.03415	33.3
69.03708	0.7
69.07057	20.5
69.59254	12.5
71.01333	1.9
71.04985	10.5
73.02899	1.6
79.05013	2.6
79.05477	71.1
81.03401	100.0
81.07040	81.5
83.01321	1.9
83.04961	20.4
83.08602	22.4
85.02888	21.3
85.06516	1.3
87.04447	3.3
91.05459	62.3
93.07023	64.9
95.04946	33.8
95.08588	47.6
97.02870	20.0
97.06510	9.3
97.10158	8.6
98.94500	1.2
99.04443	5.8
99.08104	3.1
103.05455	2.1
105.04504	2.6
105.07007	46.8
107.04922	9.9
107.08575	32.2
109.02856	15.6
109.06514	9.3
109.10139	19.0
111.04426	14.6
111.08057	9.9
113.06000	2.6
115.05457	3.5
117.06993	18.3
119.04914	2.9
119.08557	40.8
121.06510	5.8
121.09338	2.6
121.10126	27.3
123.04428	5.0
123.08058	6.6
123.11694	4.9
125.05896	1.5
125.09619	5.7
127.03901	11.3
128.06219	3.9
129.05469	3.8
129.06979	16.8
131.04887	2.1
131.08540	30.8
133.06448	6.2
133.10100	21.8
133.10986	1.9
135.08029	2.3
135.11678	12.8
137.09634	3.8
141.06978	5.1
142.07765	3.6
143.08543	9.6
145.06491	5.9
145.10097	18.6
145.11169	1.4
147.04457	1.3
147.08089	6.9
147.11655	26.1
149.05983	2.7
149.09624	6.1
149.13208	7.4
151.07536	1.6
151.11192	1.8
153.07001	1.6
153.12733	2.0
155.07407	1.4
155.08496	7.5
157.06555	4.0
157.10094	17.1
159.08084	4.2
159.11647	13.0
161.05980	1.9
161.09622	2.9
161.13271	4.8
163.11148	6.5
165.07063	1.3
165.12695	6.7
167.08546	2.5
169.10152	5.0
171.08000	3.0
171.11644	8.9
173.04437	3.1
173.09659	3.1
173.13187	6.7
175.07504	1.8
175.11137	16.1
175.14847	2.4
177.12703	2.5
181.10065	1.8
181.12233	3.4
183.08110	1.8
183.11717	3.9
185.09616	2.0
185.13290	5.5
187.11192	2.2
187.14827	2.9
189.11285	2.8
189.12839	1.9
191.10645	4.1
193.12207	38.3
194.12595	1.6
195.11748	3.5
197.09712	1.4
197.13300	4.9
199.11089	1.9
199.14827	3.3
201.12816	3.1
201.16490	1.7
205.12238	1.6
207.11816	1.7
207.13834	1.5
209.13348	2.6
211.11209	2.9
211.13232	54.8
227.12535	6.3
229.14325	3.0
235.13364	4.8
261.22159	5.6
267.15854	10.5
271.20746	1.6
273.14792	1.3
273.21933	1.5
275.19992	1.3
277.21695	2.3
283.15350	4.0
285.16922	12.6
285.22092	1.8
297.69128	1.2
301.14297	1.9
301.21759	4.9
309.22131	2.6
313.21613	1.5
317.24561	1.7
319.15649	1.9
319.22626	1.8
327.23282	2.4
335.25778	13.3
337.16394	3.9
339.23596	1.8
351.22961	6.1
353.24817	1.7
355.17581	4.2
369.24200	9.8
371.26056	1.6
387.25250	7.3
405.26392	5.4
411.20184	5.7
425.26675	2.3
435.32462	2.3
443.27835	5.5
461.28961	6.4
463.30530	2.3
471.34357	1.5
527.37140	11.1
545.38184	7.9
597.38196	2.3
635.39240	3.2
641.39642	2.5
643.72119	1.5
653.40637	12.0
671.41248	14.7
689.42438	74.8
690.42743	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	689.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.0
55.01857	6.0
55.05500	27.6
57.03431	12.1
57.07056	3.0
57.92691	1.0
59.04976	1.6
61.02895	1.2
65.03929	5.8
67.05492	72.2
68.05828	1.4
69.03419	37.2
69.07055	18.6
71.01333	1.1
71.04980	9.9
71.21527	2.7
73.02891	1.3
77.03917	1.5
79.05006	2.2
79.05479	61.4
81.03403	100.0
81.07039	74.5
82.03722	1.4
83.04960	21.2
83.08602	23.6
84.54451	1.0
85.02886	20.5
85.06524	4.1
87.04433	1.8
91.05462	57.3
93.07027	67.6
95.04951	32.2
95.05560	1.1
95.07982	2.4
95.08588	42.3
97.02874	19.9
97.06512	6.8
97.10135	5.6
99.04444	6.4
99.08095	2.4
103.03941	1.7
103.05424	1.6
105.04529	2.2
105.07012	43.9
107.04940	8.9
107.08572	33.6
107.09312	1.3
109.02859	19.5
109.06505	8.1
109.10147	18.3
111.04417	11.4
111.08056	10.7
113.05974	2.3
115.05437	4.3
117.06988	15.3
119.04942	2.2
119.08561	33.0
121.06502	5.5
121.10126	29.3
121.10953	1.8
123.04419	2.6
123.08066	4.5
123.11677	6.5
125.09609	3.4
127.03892	11.9
128.06224	4.5
129.05463	3.0
129.06972	13.6
131.04913	1.2
131.08549	29.3
131.09544	1.5
133.06493	5.2
133.10110	23.1
135.08049	5.1
135.11658	13.6
137.09586	2.8
137.13213	1.9
141.07013	3.2
142.07747	3.0
143.08527	7.6
144.09346	1.5
145.06470	3.6
145.10101	19.5
147.08041	4.4
147.11656	28.4
149.05946	1.1
149.09636	7.1
149.13199	6.9
151.11156	2.5
153.07008	1.1
153.09044	1.3
153.12773	1.8
155.08496	4.2
157.06453	1.3
157.10091	18.6
157.11345	1.1
159.08022	2.6
159.11652	11.0
159.12756	1.3
161.05887	1.2
161.09637	2.0
161.13228	5.5
163.11160	6.7
163.14809	3.0
165.12733	6.2
167.07091	1.4
167.08572	3.4
169.10101	5.1
171.08026	1.7
171.11642	9.6
173.04460	6.2
173.09613	3.2
173.13208	6.7
175.07504	1.4
175.11166	14.9
175.14787	2.4
177.12733	2.4
179.08611	1.2
181.06622	1.1
181.10109	3.0
181.12166	4.7
183.11624	5.8
185.09584	1.8
185.13258	4.7
187.11137	2.7
187.14815	3.5
189.11162	1.2
189.12743	2.2
191.10674	5.1
193.12213	44.5
195.11667	2.6
197.13251	5.0
199.11253	2.2
199.14894	2.9
201.16492	1.2
203.10875	1.0
205.12312	1.8
207.11809	1.5
207.13765	1.2
209.11612	1.2
209.13379	1.5
209.73553	1.2
211.13242	69.0
212.13499	1.2
213.12787	2.0
215.14287	1.5
217.12221	1.2
225.12808	1.5
227.12610	4.8
229.14404	2.9
241.19502	1.2
249.14928	1.3
255.13800	1.8
259.20615	3.2
261.22055	6.2
267.15762	9.2
273.14911	1.8
276.27191	1.1
277.14169	1.2
277.21637	2.8
283.15424	2.4
285.16904	11.4
285.22083	1.9
301.14297	2.6
301.21619	3.4
303.23239	1.2
309.22400	1.2
313.21597	1.0
315.23260	2.0
317.24835	2.3
319.15408	1.5
319.22546	1.3
323.23465	1.3
327.23242	3.2
335.25772	18.5
337.16568	3.1
339.23270	2.3
341.24786	1.9
345.23941	1.7
351.23114	4.1
353.24835	1.4
355.17444	8.0
357.24472	1.3
369.24231	9.3
375.18158	1.2
387.25165	5.6
393.19052	2.3
405.26401	2.7
411.19910	7.1
425.26913	2.2
435.32645	1.9
443.27780	5.7
453.33325	2.1
461.28830	5.8
471.34723	1.9
479.30035	1.7
500.43802	1.2
525.35577	1.2
527.37286	13.8
545.38318	10.8
569.38275	1.8
593.37567	1.2
635.39355	2.0
653.40216	5.7
671.41223	11.4
689.42480	93.3
690.42261	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	689.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.0
55.05499	3.5
56.52699	0.5
57.03398	1.1
57.07067	7.8
61.02917	5.0
61.94013	0.4
67.01824	0.7
67.05498	5.1
68.99776	2.3
69.03393	1.2
69.07061	4.1
70.06553	0.8
70.13287	1.7
70.13696	1.2
71.08621	3.8
73.02888	1.2
79.05436	1.8
81.03358	1.6
81.07037	5.1
83.04958	0.5
83.08608	3.2
85.02883	3.9
85.10126	1.8
91.03899	1.6
91.05439	1.6
93.06993	2.0
95.04959	0.6
95.08591	6.1
97.02884	2.4
97.06469	0.6
97.10111	1.3
105.06965	1.5
107.08528	1.3
109.02825	0.7
109.10140	2.6
111.00787	5.3
117.06921	0.6
119.08574	0.8
121.10097	0.5
127.03860	1.0
131.04861	0.7
131.08511	0.6
133.10056	0.6
137.02328	0.7
147.04379	2.3
147.11662	0.7
153.01808	38.6
154.02150	0.8
157.02777	1.3
157.06464	0.7
159.11566	0.7
161.05933	1.1
163.03870	2.2
163.14691	0.9
165.01764	0.8
171.02881	0.7
173.02223	1.2
173.05902	1.6
175.03873	1.5
181.06497	0.5
181.15715	0.9
183.04485	0.9
184.01097	0.5
184.07286	1.6
185.05945	1.0
187.03877	1.9
189.05441	3.8
191.03317	1.4
195.02771	0.8
197.05971	0.9
199.03819	1.0
199.07338	0.5
201.05412	1.6
203.03351	1.9
203.06970	0.5
209.05951	1.0
211.03961	0.7
211.07375	0.5
213.05388	1.3
213.09172	0.6
215.03418	3.6
216.04140	0.5
217.04933	1.5
219.02869	2.1
219.76501	0.6
223.07457	0.5
225.05412	2.4
229.04953	2.9
237.05373	2.2
239.06967	0.8
241.04829	0.9
241.19475	0.5
243.02884	4.5
243.06445	1.0
253.04926	11.8
254.05290	0.7
257.04456	1.9
265.04950	6.6
269.04416	1.6
271.05951	1.3
281.04407	40.6
282.04858	2.3
285.03864	7.1
293.04361	2.4
295.05975	2.7
297.03888	7.9
298.04684	8.5
299.05444	8.9
309.03912	14.0
309.07199	0.5
310.04285	1.2
311.05453	35.5
312.05823	2.1
313.03616	2.7
313.06705	0.9
315.04718	0.5
315.19449	1.1
316.20273	0.7
319.06165	0.6
322.04599	0.6
323.05515	4.0
327.04947	100.0
328.05341	4.2
329.03094	0.9
337.03445	1.0
337.07086	1.1
339.04803	1.3
341.06458	1.0
343.04633	0.7
345.05991	12.5
351.04825	1.2
355.19067	5.2
356.19791	0.6
357.20358	1.1
365.17340	0.6
369.06079	0.7
373.09000	2.9
382.29706	0.6
383.18472	1.4
397.20340	0.7
463.21326	3.3
473.19543	0.7
481.22147	14.0
482.22647	1.0
491.20758	7.3
492.20926	0.6
509.21677	85.9
510.22025	5.8
527.22327	1.8
527.36823	0.7
554.01001	0.5
689.41278	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.9
55.01844	0.8
55.05453	4.0
57.03400	0.7
57.07062	10.5
61.02912	3.3
67.05486	5.5
68.99741	2.2
69.03381	0.9
69.07046	2.5
69.49600	0.5
69.82240	1.3
69.82655	2.5
70.06535	0.5
71.04941	0.6
71.08617	4.4
72.52092	0.5
73.02883	0.6
79.05434	1.3
81.03365	1.2
81.07035	5.1
83.08554	2.3
85.02875	3.4
85.10130	2.7
86.09643	1.1
91.03905	1.0
91.05404	1.5
93.06965	1.6
95.04894	1.4
95.08586	5.7
97.02812	2.0
97.10091	1.3
100.77940	0.6
105.03308	1.4
105.06974	1.2
107.08509	0.5
109.10130	3.0
111.00800	2.7
113.05988	1.0
119.08500	0.7
121.02818	1.0
121.10088	0.5
123.04369	0.7
123.11660	0.8
127.03828	0.9
129.06885	0.6
135.04305	0.5
137.02258	1.1
139.03899	0.6
141.06891	0.7
145.02783	0.8
147.04364	1.7
148.43387	0.5
149.05960	0.6
151.03772	0.8
153.01788	18.2
159.04311	0.6
161.02286	1.7
161.05952	0.9
163.03807	1.6
165.01758	1.8
169.06467	0.9
173.02271	0.5
173.05911	1.0
175.03816	1.2
183.02870	0.7
183.17285	1.2
184.07297	0.8
185.06007	0.6
187.03824	2.0
189.05405	1.4
191.03334	1.1
201.05338	0.9
203.03336	2.0
213.05394	0.8
215.03304	1.8
217.04860	1.1
220.51749	0.6
225.05457	1.5
229.04939	1.2
237.05418	1.0
243.02803	2.1
252.03999	0.7
253.04875	7.9
257.04254	0.7
265.04938	2.1
269.04471	1.6
270.05142	1.0
271.05890	1.4
281.04376	17.4
282.04755	1.5
285.03879	3.5
289.11246	0.6
297.03796	2.8
298.04626	11.9
299.05420	10.6
299.62524	0.5
303.05270	0.5
309.03857	5.0
311.05438	10.7
313.03391	2.7
315.05038	1.4
315.30350	0.5
323.05380	1.8
327.04907	100.0
328.05219	3.5
339.04895	0.8
341.06378	0.8
343.04559	0.8
345.05969	5.7
351.04709	0.7
355.04077	0.7
355.18652	0.7
369.05664	0.7
463.21039	0.9
481.22183	6.9
482.22479	0.6
491.20593	4.0
492.30173	0.9
509.21622	79.5
510.22144	5.6
527.23120	9.5
594.99127	0.6
689.41400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13323	0.3
53.03908	0.3
55.01842	0.5
55.05499	3.9
57.03415	0.5
57.07063	9.8
61.02913	3.8
61.23159	0.4
67.05488	4.8
68.05799	0.4
68.99744	1.2
69.03386	1.2
69.07045	2.3
70.06559	0.4
71.04948	0.4
71.08615	4.3
71.80943	0.4
73.02866	1.2
76.29022	0.4
77.71063	0.4
79.05451	1.0
81.03363	1.3
81.07043	3.6
83.08602	2.3
85.02877	3.0
85.10160	2.2
89.88216	0.3
91.03900	1.4
91.05453	0.8
93.06994	0.8
95.04946	0.4
95.08588	6.1
97.02888	1.8
97.10123	0.8
99.04414	0.4
101.79887	0.3
105.03349	0.8
105.06990	0.5
107.08481	0.3
108.07964	0.4
109.02795	0.5
109.10139	3.0
111.00771	2.2
116.05425	0.3
117.06995	0.4
121.02827	0.6
123.04371	0.6
125.09579	0.3
127.03869	1.1
131.08560	0.4
133.06487	0.3
137.02319	7.3
138.88806	0.3
139.03848	0.9
145.02835	0.5
145.10022	0.4
147.04333	1.3
153.01788	19.3
154.02100	0.4
157.02792	0.4
159.04390	0.3
161.02299	1.3
161.05910	0.8
163.03854	1.4
165.01825	1.5
173.02246	1.1
173.06003	0.8
175.03813	1.1
183.02852	0.6
183.04340	0.7
183.17415	0.9
185.05896	0.6
187.03822	1.4
189.05379	1.2
191.03270	1.0
197.05940	0.8
199.03870	0.6
203.03377	1.9
213.05316	0.3
215.03349	1.3
217.04898	1.2
219.02827	0.8
225.05389	0.9
229.04756	1.6
237.05428	0.9
242.05603	0.8
243.02875	2.0
243.06293	0.5
252.04224	0.8
253.04938	6.1
254.05246	0.4
257.04340	0.9
265.04904	1.6
269.04343	0.9
270.05081	0.8
271.06000	1.5
281.04388	17.0
282.04907	1.0
285.03909	3.4
293.04208	0.4
295.06039	0.7
297.03873	2.2
298.01401	0.7
298.04663	10.8
299.05405	10.4
300.05780	0.4
309.03888	4.1
311.05435	8.5
311.09088	0.4
313.03503	2.8
315.04926	1.4
323.05453	1.9
326.04117	0.7
327.04916	100.0
328.05194	4.5
329.21130	0.4
337.06839	0.4
339.04807	1.1
340.05713	0.5
341.06406	0.4
343.04337	1.2
345.05963	6.7
351.04865	0.5
355.19006	0.8
365.06668	0.4
365.65518	0.4
366.62131	0.4
369.05960	0.5
455.18329	0.3
463.21039	1.0
473.18723	0.4
481.22189	6.3
482.22400	0.5
491.20444	3.5
495.16290	0.5
509.21600	72.7
510.21921	5.2
513.17694	1.3
527.22266	8.7
528.22778	0.4
551.22388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01854	0.7
55.05505	4.0
57.07065	5.9
61.02920	4.4
65.11776	0.7
67.01847	0.8
67.05493	5.1
68.99776	2.8
69.03411	1.9
69.07056	3.3
71.04967	0.6
71.08619	3.4
71.81393	1.1
73.02904	1.8
78.78933	0.5
79.05473	1.8
81.03415	1.6
81.07043	5.0
83.04964	1.1
83.08598	2.4
85.02893	4.2
85.10159	1.7
90.65582	0.5
91.03944	2.1
91.05451	1.4
93.07041	2.4
95.04983	0.8
95.08585	4.9
97.02918	3.3
97.10151	1.2
105.07043	1.7
107.08569	1.2
109.10138	2.5
111.00755	3.2
119.08532	0.6
120.44741	0.6
121.10098	0.7
127.03878	1.0
131.08601	0.9
133.03502	0.7
133.10141	1.1
139.03867	1.1
145.04980	0.7
147.04416	1.8
147.11688	0.9
153.01807	56.6
154.02118	0.9
157.06561	0.7
159.04462	0.6
159.82477	0.5
161.05975	2.6
163.03902	1.3
165.01837	1.7
173.02335	0.7
173.05980	2.5
175.03943	0.8
176.04710	0.9
177.05505	1.0
179.03378	0.7
185.05893	0.6
187.03992	1.7
189.05429	10.0
189.08958	0.7
191.03314	1.3
195.02795	1.0
197.05972	2.7
199.07626	1.1
201.05533	1.7
202.02261	0.6
203.03236	1.3
203.07028	0.6
211.03905	1.4
211.07516	1.1
213.05524	1.3
215.03375	3.5
215.06900	0.7
217.05090	1.7
219.02907	1.4
225.05417	1.0
227.07065	1.3
229.04977	2.2
231.02878	0.7
239.03441	1.3
239.07059	1.6
241.04977	1.3
242.05629	0.7
243.02921	2.9
243.06572	1.6
252.04161	0.7
253.04909	6.0
255.06403	1.2
257.04382	3.4
265.04910	0.7
267.06573	0.9
269.04538	0.6
271.05939	1.7
281.04425	7.1
281.07825	0.8
285.03821	3.1
295.05905	1.8
297.03967	3.2
298.04681	5.8
299.05420	7.1
301.20166	0.9
309.03882	1.8
309.07339	1.0
310.04703	1.2
311.05426	23.5
313.03342	3.2
315.19617	1.5
316.20364	0.9
319.06018	1.5
323.05432	4.1
326.04218	1.2
327.04941	72.3
328.05389	3.1
337.06927	1.0
339.05066	3.1
340.06128	0.9
341.06598	2.5
345.06100	3.1
347.05539	1.4
350.17352	2.8
350.67621	3.5
351.17682	2.1
353.06543	1.1
355.19028	2.9
357.20502	1.0
365.06534	2.0
365.17612	1.4
369.05911	1.4
383.18503	2.2
435.21558	1.2
451.30258	0.6
453.22513	1.0
463.21332	3.2
481.22104	14.1
482.22650	0.9
491.20660	8.5
509.21637	100.0
510.21970	7.8
551.22760	0.8
689.41296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
57.03424	1.0
57.07064	2.0
67.05495	1.0
67.86342	0.2
69.07046	1.5
69.56393	0.6
69.56817	1.2
71.01344	0.5
71.08615	1.9
78.90499	0.2
79.05477	0.6
80.04996	0.3
81.07044	1.5
83.08595	0.4
84.04470	1.2
85.02887	23.6
85.10145	0.6
86.09677	0.3
87.04449	0.2
91.05459	0.3
93.05750	0.8
93.07030	0.7
94.06554	0.3
95.04932	0.4
95.08581	1.5
97.10146	0.2
99.08035	0.2
102.05506	0.3
103.03918	0.4
105.07028	0.5
106.06551	1.6
107.07320	0.7
107.08572	0.6
108.04434	0.4
108.08084	0.2
109.06502	0.3
109.10126	0.2
113.02348	0.9
118.06524	0.8
119.08596	0.4
120.04446	0.3
120.08058	1.4
121.08876	0.2
121.10155	0.3
122.06001	3.1
122.06819	0.3
125.00003	0.2
130.04980	1.9
131.03365	1.3
131.07265	0.2
131.08603	0.2
132.08128	0.3
134.09641	0.5
135.06769	2.2
135.11665	0.3
136.07542	0.4
146.09691	0.2
147.11623	0.2
148.07558	1.5
148.11223	0.3
149.08363	0.4
150.09134	0.3
162.09108	0.4
164.07068	0.2
164.10675	0.2
165.12752	0.4
184.07356	0.8
190.12100	0.2
206.19020	2.5
207.17387	0.2
208.20595	0.2
216.17514	0.2
218.19002	2.8
220.20616	0.7
232.16914	0.4
232.20544	2.2
234.18471	4.4
235.16881	0.2
235.19019	0.2
236.20203	0.3
244.20613	1.2
246.18555	0.7
246.22284	0.4
248.20050	10.4
258.22083	0.3
260.20041	3.8
262.21680	0.6
274.21585	0.5
275.21274	0.2
276.23242	0.5
289.21536	0.5
290.24625	0.2
291.23114	0.2
292.22821	0.2
302.24707	0.2
307.22662	0.3
316.26352	0.4
334.20010	0.2
336.21643	0.4
338.23224	0.9
342.31503	2.6
343.32141	0.2
360.32535	56.0
361.30734	7.2
364.20981	1.6
366.22690	0.4
388.31949	0.2
472.34146	0.6
489.36774	0.2
490.35181	100.0
491.35526	3.9
492.36783	4.9
518.35449	0.7
534.37469	0.3
576.50543	0.3
671.48053	0.4
688.51343	8.8
689.51672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01854	1.1
55.05507	13.7
57.03430	14.6
57.07064	4.5
59.04987	3.7
59.61427	0.7
61.02924	4.1
62.81959	0.9
65.03925	1.6
67.05495	100.0
68.05777	0.8
69.03412	2.1
69.07056	17.6
70.97686	2.5
71.04987	4.6
71.08614	1.5
77.76013	0.9
79.05476	11.7
81.03404	1.5
81.07043	42.5
83.04955	1.5
83.08605	15.2
85.02885	4.5
85.06520	2.7
85.10157	0.9
89.06024	1.2
91.03951	1.4
91.05471	10.0
93.07039	13.4
95.04958	1.5
95.08595	29.3
97.02875	2.3
97.06525	2.0
97.10153	4.9
105.07018	5.5
107.08578	8.2
109.06439	0.9
109.10142	82.6
110.10496	1.0
111.04490	0.8
111.08075	3.8
111.88039	0.9
119.08571	10.5
121.10136	4.8
123.08039	1.0
123.11737	5.8
125.09596	1.4
131.08585	0.8
133.08568	0.9
133.10117	5.9
133.78572	0.8
135.11673	3.6
137.09576	4.9
137.13254	2.7
138.42543	0.8
139.11119	1.1
147.11656	3.9
149.13283	1.5
151.14818	1.4
155.10640	3.2
161.13245	2.5
163.14763	1.3
173.11707	19.9
175.14769	1.1
184.07339	4.8
211.13101	0.9
226.19402	0.8
227.12715	1.5
229.14320	90.2
230.14650	2.0
245.22673	2.6
263.23517	4.4
331.12131	0.8
337.27328	79.2
338.27679	1.8
350.41153	1.0
410.38583	0.8
491.37265	84.4
492.37814	4.1
509.51236	0.9
526.41858	1.7
688.07788	0.8
689.41730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.8
53.03932	3.8
53.24184	0.7
54.18182	0.7
55.01856	3.2
55.05501	12.1
57.03427	10.7
57.07054	1.3
59.04991	1.0
61.02910	2.0
65.03922	1.5
65.91396	0.6
67.05492	33.4
69.03416	4.6
69.07055	8.2
70.06529	0.7
71.04984	3.8
71.08611	2.4
73.02885	1.4
73.06544	1.3
74.58858	0.7
76.57200	0.7
79.05481	42.8
80.05791	0.8
81.03404	41.0
81.07043	34.1
82.03742	0.8
83.04490	1.2
83.04967	15.8
83.08150	1.3
83.08605	17.7
85.02887	13.8
85.06522	1.9
87.61706	0.8
91.05468	42.4
93.07027	41.0
95.04950	26.0
95.07991	1.0
95.08593	17.7
97.02880	3.8
97.06512	4.2
97.10151	4.0
99.04397	0.8
99.08076	1.0
101.02349	0.9
105.03359	1.8
105.07019	31.2
107.04929	6.7
107.08575	12.1
109.02869	0.7
109.06509	5.7
109.10143	2.6
111.04423	1.4
111.08071	7.6
113.05960	1.4
115.05421	1.6
116.06261	0.8
117.06993	4.9
119.08559	26.2
119.09393	1.6
121.06506	3.9
121.10120	7.9
123.08023	4.3
123.11694	1.7
125.05984	0.9
125.09586	1.0
127.03925	1.0
127.07549	1.0
128.06166	1.5
129.06982	14.0
131.08554	8.5
133.06480	2.2
133.10101	11.3
135.04414	0.7
135.11716	1.5
137.09612	1.6
137.13312	0.7
142.07767	2.6
143.08516	4.0
145.10124	6.3
147.08017	3.2
147.11662	30.0
149.09590	3.5
153.01833	2.8
157.10118	8.3
161.09636	1.5
161.13229	6.4
163.11121	1.5
165.12749	1.5
171.11658	13.9
173.05933	0.7
175.11127	9.8
189.12700	4.3
193.12212	24.8
193.13971	1.4
203.71312	0.7
207.13770	16.0
211.13264	29.9
212.78668	0.8
225.14922	0.8
249.14888	1.6
253.04951	1.1
267.15872	30.7
281.04388	2.6
281.17422	48.3
282.17926	1.1
283.15317	3.1
285.16907	28.7
298.04675	0.8
299.05518	1.3
311.05582	1.5
327.01425	0.7
327.04932	21.2
416.81253	0.8
453.19214	0.8
455.28168	1.1
463.17032	0.9
473.28937	100.0
474.29233	2.8
481.18442	11.5
491.30005	71.7
492.30292	2.1
499.19473	2.2
584.57251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
53.04121	0.2
53.06292	0.2
54.57274	0.3
55.01860	5.0
55.05501	8.9
55.05751	0.3
57.03427	8.1
57.07031	0.8
59.04990	2.3
61.02914	3.2
65.03914	0.5
67.05492	7.4
69.03402	1.2
69.07053	2.6
70.40516	1.2
71.01302	0.8
71.04979	2.3
73.02864	1.1
74.06061	0.2
77.03875	0.4
79.05478	12.8
81.03404	7.8
81.07039	11.3
83.01331	7.3
83.04964	7.7
83.08605	7.5
85.02893	5.4
85.06486	0.5
91.03934	1.4
91.05462	6.8
93.07025	16.7
95.04948	4.8
95.08000	0.3
95.08585	4.8
97.02871	2.8
97.06506	3.5
97.10112	0.9
99.04450	2.1
103.05431	0.5
105.03365	0.5
105.07012	5.3
106.07322	0.2
107.04235	0.3
107.04940	6.0
107.08572	8.7
109.02831	0.5
109.06503	5.2
109.10124	1.4
111.04421	1.9
111.08073	1.3
111.11643	0.3
113.05939	0.2
115.05375	0.5
117.06989	5.4
119.08556	6.0
121.06496	2.2
121.10119	6.1
123.04371	0.7
123.08044	6.9
125.05936	1.5
125.09578	0.7
127.03865	0.5
129.05475	0.3
129.06953	1.0
130.07722	1.0
131.04820	0.3
131.08557	2.3
133.10107	1.4
135.08055	1.6
135.11670	8.8
137.05925	0.2
137.09607	1.2
139.07449	0.7
143.08485	0.6
145.06412	0.9
145.10098	12.7
147.08018	1.5
149.09563	0.8
151.11090	0.3
153.12714	1.9
155.08469	0.9
163.11157	19.9
164.11475	0.5
165.09113	0.3
173.09593	2.5
181.12183	2.5
191.10638	2.2
209.11710	4.5
210.12007	0.3
227.12784	2.9
234.17584	0.2
283.15353	100.0
284.15683	3.0
473.25293	0.4
491.26337	45.9
492.26651	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	688.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.2
55.01866	5.5
55.05501	7.6
57.03430	7.5
57.07057	0.8
57.77202	0.3
59.04983	1.8
61.02921	3.0
67.05492	6.8
67.45818	0.4
69.03391	1.1
69.07054	2.6
70.38020	1.6
70.38359	0.5
71.01317	0.8
71.04981	2.0
73.02882	1.0
79.05479	11.9
81.03405	8.1
81.06600	0.5
81.07043	9.5
83.01326	6.1
83.04960	7.7
83.08606	6.8
85.02882	5.0
85.06478	0.5
91.03910	1.6
91.05461	6.9
91.49122	0.4
93.07027	16.0
95.04944	4.7
95.08090	0.4
95.08592	4.7
97.02863	3.4
97.06505	2.1
97.10097	0.7
99.04440	1.8
105.07018	5.3
107.04944	4.9
107.07906	0.5
107.08577	8.1
109.02872	0.3
109.06496	5.8
109.10122	1.0
111.04424	1.7
111.08035	1.3
117.06997	4.8
119.08560	6.1
119.62495	0.3
121.06521	1.9
121.10135	5.4
123.04426	0.6
123.07235	0.4
123.08050	6.4
125.05953	1.0
125.09578	1.0
129.06979	1.1
130.07756	0.8
131.04907	0.4
131.08574	2.2
133.10089	1.5
135.07988	1.3
135.11662	8.6
137.09560	0.9
143.08540	0.6
145.06461	0.8
145.08942	0.6
145.10100	10.7
147.07965	1.4
149.09499	0.5
153.12718	2.3
155.08495	0.8
163.11151	17.1
164.11545	0.5
173.09599	3.0
181.12195	2.5
181.13519	0.4
191.10602	1.5
202.39943	0.3
209.11685	5.3
227.12686	2.7
283.15350	100.0
284.15753	3.5
491.26318	50.4
492.26608	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	688.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.07034	0.2
65.03927	1.5
67.05492	15.8
69.03410	0.3
69.07054	13.1
70.06583	2.8
70.07382	0.3
71.04987	2.0
71.12614	0.2
71.17008	0.2
71.80827	0.3
79.05484	0.3
81.07001	0.2
84.08122	0.5
91.05445	0.4
93.06959	0.2
94.06547	0.3
95.04948	34.1
96.05258	0.4
105.07043	0.2
112.07583	100.0
113.05981	19.0
113.07910	0.7
135.40421	0.2
155.07025	2.7
173.45296	0.2
177.06773	0.2
207.10226	0.3
215.09113	0.5
224.12778	17.8
225.11168	0.3
242.13805	0.7
250.08553	0.3
254.59146	0.2
263.09424	0.2
264.06583	0.2
267.12326	0.4
271.30566	0.2
278.08069	3.8
279.08804	0.6
281.04398	0.2
283.15201	0.2
284.14874	16.6
285.15247	0.3
290.08264	1.1
292.05966	1.2
293.06805	0.8
294.11057	0.2
306.07526	4.7
307.08282	1.6
322.10684	33.2
323.11063	1.7
327.04852	0.5
336.17941	2.7
396.20029	0.4
508.25293	0.9
568.27197	0.3
613.95709	0.2
628.28821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.3
61.78294	0.3
65.03925	1.4
67.05490	16.3
67.19301	0.3
69.07054	12.9
69.13525	0.3
70.06590	2.9
70.50861	0.5
70.51212	1.3
71.04971	1.7
75.27749	0.4
79.05471	0.5
81.07042	0.5
84.08105	0.6
85.15948	0.3
91.05482	0.4
93.07022	0.4
93.36866	0.3
95.04948	34.3
105.03405	0.4
107.08565	0.4
112.07581	100.0
113.05981	20.0
121.06665	0.3
155.06989	2.6
173.08109	0.4
204.08072	0.4
207.10112	0.5
215.09114	0.4
224.12778	18.3
225.11069	0.4
233.08382	0.5
242.13910	0.8
249.05550	0.4
250.08685	0.8
251.09494	0.4
261.07828	0.7
262.08441	0.5
263.09622	0.4
276.06522	0.6
278.08057	8.2
279.08734	1.5
284.14868	17.7
290.08075	2.7
292.05862	2.6
293.06723	2.4
294.11172	0.4
306.07523	9.9
307.08316	3.7
322.10678	81.8
323.10980	1.6
336.18082	3.1
394.08401	0.4
396.19992	0.4
463.18726	0.3
473.28922	0.6
508.25497	0.9
690.82745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01881	0.5
55.05240	0.4
55.05499	10.6
57.03425	13.3
57.07067	1.9
59.04988	4.5
61.02914	4.5
65.03929	1.8
67.05491	92.8
68.05833	0.5
69.03420	1.3
69.07053	7.7
69.63025	0.9
69.63442	3.0
71.04974	4.1
73.02898	0.8
79.05476	17.2
81.07040	36.3
83.04971	0.7
83.08600	7.7
83.09722	0.4
85.02889	4.3
85.06512	3.3
88.07613	0.4
91.03928	2.1
91.05457	12.0
93.06420	0.7
93.06591	0.4
93.07025	20.4
95.04957	1.6
95.08584	28.0
97.02864	2.5
97.06516	1.3
97.10153	1.8
99.04447	0.5
99.08072	0.9
105.07005	6.3
107.08575	13.2
109.06503	1.0
109.10136	82.0
110.10485	0.7
111.08068	3.8
113.09650	0.5
115.03949	0.5
117.06982	2.7
119.08561	10.3
121.09250	0.5
121.10122	9.6
123.08043	0.8
123.11689	4.0
125.09606	1.3
131.08542	5.4
133.10115	5.1
135.11661	6.8
137.09587	3.7
137.13226	1.6
139.11191	0.6
143.08598	0.8
145.10127	3.7
147.11662	3.1
149.13211	5.1
155.10628	5.5
159.11646	3.8
161.13231	3.4
163.14801	3.2
173.11734	22.1
173.13231	3.9
175.14835	0.7
187.14787	1.6
189.11267	0.6
201.16388	0.9
225.68172	0.4
227.12732	5.3
229.14307	100.0
230.14641	2.1
233.22501	0.5
243.21074	4.0
261.22095	16.5
262.22382	0.7
279.23224	0.5
299.23676	0.5
317.24649	3.1
335.25742	63.8
336.26022	1.9
343.73053	0.5
379.29886	1.6
385.66281	0.5
397.30920	1.5
409.60440	0.5
415.31992	1.1
433.32953	0.5
471.34918	0.9
472.90787	0.5
489.35699	40.8
490.36157	2.1
507.36786	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	686.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01850	1.0
55.05501	12.5
57.03424	12.0
57.07053	1.6
59.04989	4.2
61.02914	5.3
65.03925	1.8
67.05491	100.0
68.05833	0.5
68.56582	0.5
69.03417	2.1
69.07054	8.0
71.04973	3.6
71.60423	1.0
73.02888	1.6
77.03900	0.9
79.05478	20.9
81.03402	0.7
81.07039	37.9
83.04960	0.9
83.08599	8.2
85.02893	4.2
85.06508	2.5
91.03930	1.9
91.04898	1.2
91.05460	15.2
93.07027	27.6
95.04938	2.2
95.08588	26.3
97.02869	2.4
97.06509	1.8
97.10154	2.4
99.04439	0.7
99.08076	1.3
105.07006	7.3
107.08572	14.8
109.06481	0.9
109.10135	76.8
110.10455	0.7
111.08058	2.8
117.07005	2.7
119.08566	10.8
121.10117	12.5
123.08078	0.7
123.11683	2.9
125.09624	1.1
131.08551	4.6
133.10097	4.5
135.11671	8.4
137.09602	3.5
137.13208	1.1
144.24573	0.5
145.10109	5.4
147.11627	3.4
149.13211	4.8
155.10608	4.4
157.35118	0.5
159.11670	2.9
161.13211	2.4
163.14806	2.3
171.11726	0.6
173.11740	19.5
173.13217	3.9
173.14572	0.6
175.14835	1.2
177.16286	1.0
183.24445	0.5
187.14745	0.6
201.16341	0.8
210.59744	0.6
217.13193	0.5
223.98668	0.6
227.12747	4.5
229.14305	88.1
230.14592	2.2
233.18639	0.6
233.22746	0.7
243.21091	4.8
243.23338	1.0
261.22083	18.5
262.22427	0.6
317.24823	3.2
320.97870	0.6
335.25732	79.7
336.26160	3.8
379.29663	0.9
397.30908	1.3
415.31662	1.2
471.34525	1.6
480.52762	0.6
489.35687	65.0
490.35818	4.3
507.36917	3.9
522.84802	0.7
584.59784	0.6
687.40479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.6
55.01862	4.6
55.05502	11.8
56.05807	0.5
57.03426	6.2
57.07066	1.2
59.04981	1.8
61.02921	1.2
62.44294	0.6
65.03924	1.2
67.05495	23.6
69.03414	1.3
69.07050	5.8
70.09525	3.4
71.04976	2.8
73.06535	1.6
79.05481	34.5
80.05818	0.9
81.03413	11.1
81.07045	23.9
81.07525	1.1
83.01334	4.0
83.04965	10.5
83.08607	7.7
85.02896	3.0
85.06535	1.9
91.05459	27.4
93.07031	38.0
95.04957	10.9
95.08595	12.8
97.02878	2.6
97.06520	3.2
97.10147	2.4
99.04469	1.1
105.03394	1.7
105.07017	20.0
107.04947	6.9
107.08577	11.8
109.02813	0.8
109.06505	5.2
109.10135	2.0
111.04431	1.7
111.08083	1.6
115.05439	1.2
117.07002	6.1
119.08567	13.7
121.02905	1.2
121.06473	2.0
121.10121	4.8
123.04391	1.0
123.08046	6.2
125.05998	0.8
127.07504	0.8
128.06204	1.5
129.06985	7.6
130.07753	0.8
131.08553	3.4
133.06427	0.9
133.10123	4.6
135.08026	0.9
135.11670	6.4
137.09515	1.0
139.07452	0.7
143.08569	4.8
144.88197	0.5
145.10095	10.1
146.10452	1.3
147.08055	2.2
147.11659	15.3
148.12025	0.7
151.11079	0.6
153.01749	0.7
153.12737	1.2
155.08531	0.6
156.09308	0.8
159.11617	0.7
161.09581	1.4
161.13234	4.6
162.05505	2.7
163.03897	0.9
163.11166	10.7
171.11662	10.0
173.09587	1.8
181.12228	1.1
189.12759	3.1
191.10678	1.4
198.18440	0.7
207.13791	11.1
209.11766	2.4
225.14906	1.1
227.12749	2.3
265.14359	1.7
281.17432	32.9
282.17767	1.0
283.15372	34.3
284.15927	0.9
332.22189	2.5
471.27393	7.0
479.65714	0.6
489.28436	100.0
490.28766	6.8
507.16141	2.9
507.29794	0.8
525.17542	4.5
668.38794	0.9
686.39996	1.1
687.38654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.7
55.01851	3.6
55.05507	15.6
57.03435	13.9
57.07067	35.4
61.02898	1.3
65.03934	1.3
67.05494	47.5
69.03414	10.1
69.07063	12.3
71.04980	6.5
71.08622	19.9
73.02893	1.7
74.09726	1.4
79.05479	15.3
81.03405	66.6
81.07046	37.3
83.04967	31.2
83.08606	25.3
85.02895	15.1
85.06535	1.9
85.10162	12.9
87.04459	1.1
88.91707	1.1
91.05444	16.5
91.05920	1.0
93.07026	15.8
95.04948	19.8
95.08588	29.2
97.02882	11.7
97.06503	2.3
97.10132	7.8
98.20705	2.3
99.04462	1.6
99.08064	1.3
103.03912	1.3
105.07017	13.9
107.04929	4.9
107.08583	8.1
109.02857	6.3
109.06503	2.7
109.10137	30.7
109.16818	1.1
111.04424	10.4
111.08066	8.7
117.06989	2.5
119.08551	14.9
121.06471	2.0
121.10125	9.7
123.08048	2.3
123.11661	6.4
125.09612	3.0
127.03892	5.2
128.19408	1.2
128.88765	1.4
129.05470	9.8
129.06967	6.7
131.08539	8.0
133.06467	3.0
133.10095	5.6
135.11671	4.5
137.09607	2.6
137.13287	2.8
145.10112	3.1
145.56097	1.2
147.08028	1.6
147.11682	11.9
148.12070	1.1
149.09613	3.6
149.13234	1.6
153.12776	2.1
154.49408	1.4
157.10086	9.6
159.11636	1.1
163.11151	3.8
163.14751	1.5
165.12769	2.1
173.11714	4.4
173.13124	1.1
175.11130	11.5
181.12163	2.6
191.10681	1.7
193.12218	31.5
211.13261	41.3
227.12781	5.2
229.14278	21.8
239.23602	4.3
257.24713	2.0
261.22067	5.4
267.15927	14.7
283.15430	2.5
285.16837	8.9
313.27332	53.4
314.27655	1.8
335.25803	14.3
355.17310	5.0
393.18860	1.4
395.76077	1.2
411.19742	1.5
429.21234	19.6
434.09433	1.3
489.35779	10.1
505.38797	9.0
507.36966	1.4
523.39874	100.0
524.40375	6.2
524.46887	1.2
535.23541	1.3
539.38855	2.0
545.37915	2.1
571.74548	1.4
667.44116	20.6
685.42780	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	679.329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61288	0.3
53.03935	1.0
55.01852	1.0
55.05492	1.6
57.03424	2.8
57.07053	0.6
60.08161	0.3
61.02915	5.1
67.05495	5.9
69.03423	3.6
69.07060	1.7
70.06575	0.5
71.01330	0.5
71.04976	1.3
71.08633	0.3
71.80981	0.3
71.81399	0.3
73.02906	3.8
76.82652	0.3
79.05482	4.2
79.07718	0.3
81.03400	5.2
81.07040	6.4
83.01338	0.5
83.04968	1.7
83.08592	2.3
84.04506	0.4
85.02889	5.7
85.06506	0.4
86.09720	0.9
91.03927	3.3
91.05468	4.2
93.07024	5.1
95.04954	2.5
95.08598	2.8
97.02874	5.7
97.06526	1.2
99.04444	1.0
101.02342	2.0
102.89937	0.3
103.03914	0.4
105.03355	0.5
105.07005	3.8
107.04958	1.3
107.08560	3.4
109.02861	1.5
109.06506	0.9
109.10136	1.3
111.04415	0.6
111.08063	0.6
115.03908	0.4
117.07023	1.4
119.08553	2.4
121.06522	0.6
121.10123	2.2
123.08065	0.6
124.99982	0.6
127.03878	1.9
129.05426	0.4
129.06982	0.9
131.08556	1.7
133.06403	0.4
133.10095	1.9
135.07976	0.5
135.11694	1.9
137.09645	0.5
141.36530	0.3
143.08527	0.5
145.02852	0.3
145.10057	1.9
147.07994	0.5
147.11674	0.6
149.13234	1.3
157.10124	0.7
159.11676	0.6
161.05904	0.4
163.11140	2.2
169.10049	0.5
175.11168	0.5
177.05408	0.5
181.12140	0.4
184.07300	3.3
185.04228	0.6
185.07664	0.5
187.14771	0.5
191.10748	0.4
193.12234	0.7
195.13850	1.0
209.11691	0.4
211.13275	1.0
213.14812	0.4
215.14236	0.3
227.12602	0.4
233.15334	1.8
235.13159	0.5
243.08340	1.9
267.15894	1.3
269.17511	1.0
283.15375	0.5
286.76450	0.3
303.04977	0.6
307.18903	1.8
429.21487	0.7
451.19150	0.5
453.20941	6.6
467.18777	6.6
482.32324	0.4
499.30518	3.3
661.35864	0.6
679.32855	100.0
680.32965	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	679.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
53.03945	0.4
55.01867	0.4
57.03429	0.3
63.02380	0.5
67.05503	0.3
69.03428	1.1
70.92398	0.5
70.92738	0.2
71.04961	0.2
73.02953	0.2
78.04681	0.3
79.05474	0.8
81.03405	3.6
81.07043	0.6
85.02883	1.1
86.09697	0.4
89.03899	5.8
91.05459	2.6
94.04162	1.2
95.04957	0.6
95.08575	0.4
97.02863	0.5
98.21389	0.2
99.04456	0.6
99.26608	0.2
100.11240	0.3
101.35394	0.2
103.05444	2.7
104.06233	0.2
105.03342	0.2
105.07004	1.3
106.04168	0.3
107.04946	0.9
107.08591	0.2
109.02860	1.1
109.06503	1.1
109.10169	0.3
111.04477	0.2
113.46159	0.2
115.05426	1.3
117.03362	17.8
117.07023	1.0
117.30569	0.2
118.03700	0.4
119.04922	0.4
119.08572	2.5
122.03624	2.8
127.03879	0.6
128.06218	1.2
129.06990	1.0
131.04912	5.0
132.05708	1.4
133.06468	0.8
133.10139	0.4
134.03621	1.4
135.04404	1.3
135.08092	0.2
137.05959	35.0
138.06329	0.8
141.06982	0.5
143.04922	0.3
144.05737	0.2
145.02824	49.8
146.03117	1.0
147.04402	0.5
147.08034	3.0
149.05951	6.7
150.06335	0.2
151.03911	0.9
151.07523	0.2
156.05649	0.4
158.06004	0.3
160.05165	1.6
161.05957	3.9
162.03142	0.3
163.03880	0.7
163.07524	9.1
169.06480	0.4
171.08018	0.4
175.07524	30.2
176.07904	0.9
177.05443	100.0
178.05786	2.5
179.07036	0.2
179.08615	0.2
184.05186	0.8
184.07358	0.3
186.05444	2.0
187.07542	1.4
189.09044	0.4
191.08537	0.8
195.06508	1.5
199.07503	4.3
199.09236	0.4
200.07925	0.3
201.09106	0.6
202.07716	1.7
203.08519	3.3
204.09053	0.2
205.06407	0.3
205.15543	0.2
218.07225	0.3
219.08012	1.4
220.08742	1.0
221.09521	0.2
230.07292	0.4
231.08025	4.3
232.08762	0.9
235.11163	0.4
236.08464	0.3
242.07133	0.2
247.07510	0.7
248.08333	1.7
249.08952	0.3
251.10773	1.0
259.07483	2.2
260.08270	1.4
261.09003	0.4
263.10654	1.8
265.08566	0.5
275.06970	0.5
276.07816	1.1
277.08521	1.1
279.10110	0.8
280.10812	0.2
289.08484	0.3
290.09482	0.2
291.10114	5.3
292.07748	0.2
292.10815	1.3
293.08011	0.7
293.11386	0.2
295.13229	0.5
296.10532	0.2
304.94022	0.2
307.09756	0.3
308.10416	0.7
311.12775	2.2
321.09598	4.8
323.12729	6.9
325.14316	3.0
333.10983	0.3
335.12750	0.3
337.09247	0.3
339.10718	2.9
341.13770	0.2
355.10129	0.5
363.12125	0.3
381.12881	0.2
459.18091	0.3
471.18362	0.2
487.17468	0.5
499.17300	0.7
517.18384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.1
55.05507	0.2
56.05012	0.6
57.03411	0.2
58.06621	0.4
59.07356	0.1
59.93981	0.1
60.08152	6.1
60.53971	0.1
60.67258	0.1
61.02914	0.2
64.42064	0.1
67.05479	0.5
68.62139	0.1
69.03420	0.8
69.07053	0.3
70.72902	0.2
70.73304	0.2
71.04975	0.2
71.07356	2.9
71.42414	0.1
73.02897	0.4
76.30502	0.1
79.05447	0.5
81.03401	1.5
81.07043	0.7
83.04959	0.3
83.08636	0.2
85.02886	2.0
86.09689	30.0
87.10024	0.4
91.05459	0.8
92.58562	0.1
93.07024	0.3
95.04942	0.3
95.08593	0.5
97.02872	1.2
98.38931	0.1
98.98451	2.6
99.04433	2.1
103.03924	1.6
104.10719	2.7
105.07021	0.9
107.08602	0.6
109.02856	2.2
109.10139	0.4
115.05453	0.1
116.99454	0.1
119.08553	0.4
121.06564	0.1
121.10112	0.2
124.99980	20.4
127.03893	5.6
129.06996	0.3
131.08559	0.1
133.06477	0.4
133.10104	0.6
135.11653	0.2
137.05962	0.1
137.09549	0.2
137.13278	0.3
143.01009	0.3
145.02806	0.1
145.04919	1.5
147.04385	0.2
147.11676	0.2
149.13271	0.1
151.11185	0.1
157.10216	0.1
161.05965	1.0
163.05968	0.6
175.11118	0.1
175.14772	0.2
177.05498	0.3
184.07309	100.0
185.07625	1.3
187.06003	0.8
191.07065	0.2
191.14223	0.3
193.08575	0.4
193.12302	0.2
193.15901	0.2
194.60338	0.1
205.07016	0.2
211.13271	0.2
211.16954	0.4
235.05995	0.1
253.07065	0.3
256.33267	0.1
267.15839	0.2
271.08130	1.0
271.15271	0.2
285.17172	0.2
289.09140	0.6
307.10327	0.3
379.10284	0.1
397.11334	0.4
415.12204	0.8
433.13336	0.6
445.25858	0.2
450.22464	0.1
451.14343	0.3
463.27097	0.3
468.23468	0.2
481.28223	0.5
660.34839	0.3
678.36023	11.6
679.36328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.05497	12.2
57.03434	6.0
57.07072	4.5
57.56446	0.9
61.02918	16.5
63.90209	0.9
65.03919	2.5
67.05492	73.7
68.42830	0.8
69.03415	3.2
69.07059	14.9
71.04980	2.9
71.08629	1.5
71.78711	1.5
73.02906	6.4
75.04466	1.5
79.05478	40.2
81.03407	2.3
81.07041	83.8
83.04949	2.9
83.08601	7.3
85.02374	1.2
85.02891	22.7
85.06525	2.5
91.03418	1.5
91.03941	16.5
91.05463	20.9
93.07029	53.2
95.04950	4.3
95.08589	68.6
97.02866	7.7
97.06521	3.8
97.10155	4.2
99.08077	2.9
103.03929	1.9
105.07014	15.6
107.08572	37.7
109.06506	1.6
109.10136	38.5
111.08076	2.5
111.11795	0.8
113.09560	1.0
115.03939	1.4
115.05463	1.1
117.06986	7.4
119.08568	13.9
121.10128	36.1
123.08067	1.5
123.11691	19.8
125.09605	2.2
127.03898	7.9
129.06935	1.3
131.08549	21.7
133.10100	15.9
133.11095	0.9
135.11671	27.3
137.09613	2.7
137.13210	6.6
139.11121	1.5
145.04919	7.7
145.10110	14.3
147.11658	13.8
149.13229	17.7
151.11142	2.5
151.14807	2.5
152.48889	1.0
153.12753	1.9
159.11658	14.6
160.41917	0.9
161.13242	11.5
163.05986	12.6
163.11174	1.2
163.14804	17.5
165.12724	2.5
173.13228	14.2
175.14796	3.4
176.82666	1.0
177.12726	3.0
177.16414	5.8
179.14250	3.5
181.86641	0.8
187.14777	9.1
189.16301	1.0
191.14322	2.1
199.14580	1.0
201.16333	2.2
205.15871	1.4
209.15318	1.3
215.17961	1.4
219.17288	1.2
230.25298	1.0
233.22653	4.6
243.21042	36.3
255.81270	0.9
261.22104	100.0
262.22461	2.9
263.23715	1.5
279.23010	5.1
280.81601	0.9
296.85706	1.0
313.17850	1.1
320.99060	0.9
335.25745	35.3
353.26819	47.9
354.27005	1.3
443.28119	1.6
461.28873	1.5
479.29788	3.0
497.31073	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00269	0.4
53.03920	0.6
55.01829	0.5
55.05458	2.1
57.03397	0.8
57.07065	4.3
61.02918	4.5
66.70469	0.3
67.01830	0.3
67.05493	3.9
68.95352	0.3
68.99766	0.8
69.03376	1.3
69.07063	2.3
71.08618	6.9
71.78924	0.5
72.08200	0.3
73.02845	1.1
73.89327	0.3
79.05424	1.3
79.31931	0.3
80.05772	0.5
81.03357	1.4
81.07043	6.7
81.49114	0.4
83.04931	0.8
83.08561	1.4
85.02894	4.8
85.10177	3.3
91.03938	1.8
91.05463	1.7
93.06980	1.6
95.04919	1.1
95.08594	5.1
97.02880	2.3
105.03343	0.4
105.06981	1.1
107.04890	0.6
107.08529	0.8
109.02850	0.5
111.00751	1.0
117.06966	0.4
119.08514	0.5
121.02802	1.1
121.10098	0.5
123.04374	0.5
127.03857	0.9
129.07037	0.4
131.04866	0.5
131.08495	0.5
135.04358	0.9
137.02263	1.0
137.13216	0.4
145.02792	0.3
145.10066	0.4
147.04349	1.1
149.05894	0.6
150.03102	0.4
151.03787	0.6
153.01805	12.1
155.14253	1.1
159.04341	0.4
161.02350	0.7
161.05844	0.5
163.03911	1.9
165.01830	2.4
167.03300	0.4
175.03896	2.0
175.11177	0.4
177.01746	0.6
177.05411	1.3
183.02829	0.7
184.07178	0.4
185.05891	0.6
187.03792	0.8
189.01779	1.1
189.05342	0.8
193.12199	0.6
197.06071	0.5
199.03848	0.6
201.05455	0.5
203.03336	5.6
205.04932	1.7
207.02869	0.6
211.13263	0.6
213.05516	1.8
217.04881	1.5
229.04980	0.6
231.02802	1.0
231.06499	1.4
241.04932	2.2
245.04390	1.2
253.04955	0.5
255.02814	1.2
257.04163	0.6
258.05096	0.7
259.02640	0.4
259.05960	2.8
265.04990	0.5
267.15842	0.6
268.03537	0.9
269.04401	5.8
269.17401	1.1
270.05032	0.5
270.17764	0.4
271.05847	0.4
273.03918	1.3
281.04553	0.5
283.02411	0.5
285.04022	2.3
285.16754	0.5
286.04648	2.9
286.17065	0.4
287.05457	5.2
296.03122	2.8
297.03885	14.9
298.04459	1.4
299.05243	0.8
301.03311	3.0
303.04855	1.0
309.03781	0.6
311.05582	1.2
313.03372	3.2
314.04102	5.0
315.04938	6.9
316.05170	0.6
325.03336	3.5
326.04398	0.5
327.04944	1.3
329.02829	6.7
329.17496	0.6
330.03290	0.4
331.05246	0.4
339.04959	1.6
341.17361	0.8
342.03589	0.7
343.04434	100.0
344.04810	5.4
347.03958	0.5
353.02762	0.9
355.04437	0.6
361.05450	6.1
413.19443	0.5
423.18033	0.7
451.17444	2.7
462.29361	0.7
469.18472	6.5
470.18402	0.6
479.16998	6.5
479.30304	0.8
480.17041	0.5
480.30350	1.3
485.04764	0.6
495.16748	0.6
497.18002	52.4
498.18381	5.1
503.06219	0.4
515.19073	27.5
516.19458	2.4
539.19318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.5
55.05502	1.8
55.59699	0.3
57.03390	0.5
57.07070	4.9
61.02914	4.3
65.46570	0.3
67.05498	3.7
68.05780	0.4
68.99743	1.2
69.03369	1.0
69.07050	2.4
71.08622	6.8
71.12918	1.0
72.45748	0.4
73.02853	1.3
79.05428	1.5
81.03359	1.6
81.07047	6.5
82.07326	0.5
83.04922	0.8
83.08549	1.3
85.02893	4.7
85.10166	2.9
91.03934	1.7
91.05424	1.0
93.06970	1.5
95.04878	0.8
95.08594	5.4
97.02874	2.0
97.06466	0.4
105.03355	0.5
105.06995	0.6
107.04910	0.6
107.08540	0.9
109.02811	0.7
111.00716	1.0
119.08485	0.6
121.02798	1.2
121.10071	0.9
123.04419	0.7
127.03823	0.9
128.06203	0.4
131.08495	0.4
133.10063	0.5
137.02261	0.7
137.13191	0.5
143.92705	0.4
147.04347	0.8
147.11646	0.5
153.01811	12.3
155.14209	1.3
157.09955	0.4
159.04424	0.4
159.11531	0.4
161.02304	0.7
163.03902	1.9
165.01756	1.4
168.69760	0.4
175.03864	2.6
177.05362	1.5
181.01161	0.4
185.05934	0.5
187.03822	1.0
189.01799	1.0
189.05428	0.8
191.03217	0.6
193.06587	0.4
193.12173	0.4
195.02809	0.7
197.06071	0.5
199.03879	0.7
201.05406	0.7
203.03383	4.6
205.04892	1.3
207.02797	0.5
211.13141	0.6
213.01715	0.6
213.05453	1.4
217.04942	2.0
227.03210	0.6
229.04984	1.0
231.02847	0.6
231.06491	1.0
241.04863	2.1
242.05363	0.5
243.06497	0.5
245.04427	1.4
247.93230	0.4
253.04791	0.5
255.02873	1.0
257.04440	0.6
258.05325	0.9
259.06003	3.1
267.15994	0.7
268.03659	0.5
269.04419	4.6
269.17303	0.5
270.05078	0.6
271.05923	0.6
273.03912	1.3
281.04480	0.6
285.03824	2.3
285.16888	0.7
286.04749	2.8
286.17307	0.6
287.05453	4.4
296.03168	2.1
297.03903	11.9
298.04648	0.7
299.05463	0.8
301.03427	3.6
303.04971	1.5
307.05682	0.4
311.05374	1.3
313.03400	2.8
314.04080	4.4
315.04956	7.7
321.03796	0.5
325.03445	3.3
326.03671	0.5
327.04962	1.5
329.02820	5.9
339.04822	1.7
341.17508	0.4
343.04428	100.0
344.04843	3.5
347.03961	0.9
353.02835	0.9
355.04498	0.4
361.05493	6.2
423.18109	0.7
441.19226	0.4
451.17447	2.3
462.29404	0.7
469.18552	4.4
479.16937	7.0
479.30115	0.8
480.17203	0.4
480.30060	2.1
485.05472	0.5
495.16214	0.6
497.18008	50.3
498.18320	2.0
503.05847	0.5
515.19055	26.2
516.19293	1.2
548.36768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01862	1.6
55.05500	10.1
57.03428	10.1
57.07062	1.2
61.02917	4.2
65.03925	1.7
67.05493	30.4
69.03410	2.5
69.07051	9.8
71.04978	4.1
71.08589	1.0
71.20793	1.4
73.02910	1.3
76.11275	0.6
79.05478	22.8
81.01921	0.6
81.03401	36.2
81.07040	41.6
83.04968	8.5
83.08606	19.2
85.02885	15.7
85.06524	2.6
91.03929	2.7
91.05461	23.1
91.06029	1.3
93.07024	27.7
95.04952	16.0
95.08587	11.8
97.02891	3.1
97.06520	5.3
97.10164	2.3
99.04432	0.8
99.08075	1.4
105.07004	13.0
106.75192	0.7
107.04925	3.8
107.08575	14.3
109.06496	3.6
109.10124	3.0
111.04427	1.0
111.08054	7.9
113.05991	1.6
115.94859	0.5
117.07002	5.7
119.08556	9.2
121.02755	0.6
121.06483	2.2
121.10122	9.8
123.08035	1.9
123.11687	2.3
129.06970	5.3
131.08534	8.9
133.06474	0.9
133.10104	11.8
133.11116	0.8
135.08026	1.1
135.11676	5.1
137.09558	1.3
142.07751	1.1
145.10054	1.5
147.07964	1.6
147.11647	8.9
149.09604	2.4
149.13234	7.9
151.11108	1.1
153.01828	1.5
157.10081	8.1
158.52190	0.6
159.11650	4.4
163.11148	0.8
165.12727	1.0
175.11174	6.8
177.12730	2.2
180.55655	0.6
193.12213	20.6
194.12531	0.8
195.13809	7.4
203.03419	0.6
205.05000	0.7
211.13248	30.4
212.13719	0.8
213.14908	0.8
251.16368	1.2
267.15866	12.0
268.16388	0.8
269.04446	0.9
269.17426	44.7
270.17917	2.7
285.16901	32.2
286.04984	0.7
286.17300	1.2
297.03848	1.2
327.04593	0.6
343.04382	11.9
365.90225	0.6
387.25665	0.6
443.27966	3.0
461.22293	0.8
461.28888	25.1
462.29343	2.5
479.29980	100.0
480.30365	7.1
497.17966	7.4
623.34515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.4
53.03909	1.6
55.01867	2.3
55.05505	10.6
57.03433	10.2
57.07051	1.0
61.02918	3.5
65.03904	1.1
65.22012	0.5
67.05498	30.2
69.03415	2.8
69.07059	10.7
69.99564	2.7
69.99930	0.7
71.04978	4.4
71.08611	0.4
73.02899	1.0
79.05483	24.2
81.03409	35.9
81.07044	43.0
83.04971	9.8
83.08610	18.4
85.02895	15.0
85.06549	2.5
87.66008	0.4
91.03905	1.8
91.05467	20.9
93.07031	29.8
94.07323	0.7
95.04955	15.0
95.08593	13.0
97.02866	3.7
97.03839	0.4
97.06528	6.5
97.10162	2.3
99.04403	0.5
99.08073	2.1
102.91674	0.5
105.03311	0.4
105.07019	13.9
106.07374	0.4
107.04935	3.6
107.08578	17.2
108.08883	0.5
109.06505	3.1
109.10149	2.3
111.04388	1.4
111.08066	8.5
113.05949	1.5
115.05420	1.1
117.07018	4.0
119.04932	0.6
119.08559	9.9
121.02864	0.6
121.06422	1.3
121.10133	12.4
123.08015	1.6
123.11678	2.2
125.09568	1.2
127.07526	0.6
129.06999	5.3
129.31029	0.5
131.07632	0.7
131.08562	9.8
133.06432	1.8
133.09161	0.6
133.10110	10.1
135.07985	1.2
135.11673	3.9
137.09544	0.8
142.07733	1.3
145.10017	0.9
146.12537	0.4
147.07990	1.3
147.10582	0.5
147.11681	7.0
149.09622	4.0
149.13231	12.6
151.11108	0.8
157.10130	8.8
159.11693	5.3
163.11118	1.3
165.12695	1.7
167.14268	0.4
175.11168	8.7
177.12714	2.7
184.07298	0.7
187.03903	0.6
193.12222	23.6
194.12547	0.7
195.13785	6.2
211.13269	33.6
212.13516	0.7
213.14786	1.1
249.14857	1.2
251.16354	0.5
252.03220	0.4
267.15884	19.9
269.17441	57.3
270.17789	1.4
283.15332	0.6
285.16943	31.3
286.17236	0.9
413.22101	0.5
435.27182	1.0
443.28354	1.1
461.28937	46.2
462.29453	2.5
464.23123	0.5
474.19403	0.5
477.89658	0.6
479.30017	100.0
480.30487	4.7
623.33740	0.8
676.27844	0.6
677.28552	0.7
699.59222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.5
53.03929	2.0
55.01855	2.3
55.05502	18.7
57.03411	1.5
57.07067	9.7
64.54932	0.4
67.05492	8.3
69.03409	1.6
69.07057	19.0
71.04974	1.4
71.08618	5.8
71.79380	0.6
76.64811	0.4
79.05484	6.6
81.03404	43.0
81.07043	7.9
82.03767	0.5
83.04967	1.3
83.08604	23.6
83.38967	0.4
85.10175	2.8
91.05459	11.1
93.07030	4.8
95.04951	12.3
95.08589	5.2
96.04494	2.2
97.02880	1.2
97.06508	0.8
97.10152	13.7
97.10788	0.7
98.98450	4.2
103.05424	0.5
105.03380	1.8
105.07001	9.0
107.04932	3.5
107.08578	2.2
109.06480	1.9
109.10155	1.1
111.04399	0.9
111.08066	2.5
111.11695	3.4
115.05422	1.0
117.06992	1.1
119.04932	0.6
119.08550	5.6
121.02872	1.0
121.06496	1.3
121.10130	2.4
123.08064	0.8
123.11646	0.6
125.09602	0.5
125.13290	0.6
126.21873	0.4
128.06207	1.5
129.06985	9.4
130.06503	6.1
130.07368	0.6
131.08542	3.8
133.06493	1.5
133.10110	1.8
135.11670	1.0
137.09581	0.6
142.07794	1.4
144.08058	1.9
145.10123	1.1
146.09616	8.4
147.08014	1.7
147.11656	2.6
149.09596	2.0
155.00995	0.9
155.14287	0.7
157.10081	4.0
165.12689	0.6
169.07611	7.4
169.28806	0.5
170.07922	1.9
173.02081	0.9
175.11157	3.7
193.12219	11.4
208.16995	2.2
215.08118	11.9
216.08492	5.5
220.23653	0.5
237.22137	0.6
249.14815	3.0
267.15878	4.4
268.12827	0.5
273.14938	0.7
282.22037	1.1
290.08072	0.5
291.08722	0.6
300.23178	29.5
301.23541	2.4
306.11249	0.9
307.11618	1.0
311.25705	3.9
330.24957	0.5
338.42294	0.4
347.12463	0.5
438.26318	2.1
461.25323	0.7
475.93350	0.5
503.37228	100.0
504.37579	8.1
615.17065	0.7
675.32672	0.7
675.43591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
54.69132	0.6
55.01863	5.2
55.05503	17.8
56.73119	0.6
57.03433	4.0
57.07067	7.5
58.72677	0.5
64.60546	0.6
65.03933	0.8
67.05494	9.2
69.03416	1.3
69.07059	20.0
70.11713	2.5
71.04977	1.9
71.08613	4.4
73.02908	1.3
75.03741	0.6
75.04491	0.7
75.64265	0.6
79.05483	8.1
81.03407	34.9
81.07037	11.6
83.04975	5.1
83.08607	22.8
85.10174	2.1
86.09678	1.7
91.05475	11.1
93.07033	5.9
95.04956	10.5
95.08595	4.5
97.02869	1.1
97.06510	2.4
97.10159	11.3
98.21333	1.1
98.98454	26.4
101.05999	1.1
105.07005	7.7
107.04939	12.0
107.08567	4.2
108.05319	1.0
109.06487	1.4
109.10137	2.1
111.08060	2.5
111.11693	2.8
116.99480	0.9
117.06977	1.0
119.04925	0.7
119.08564	8.0
121.06527	1.3
121.10112	5.0
123.08070	1.2
123.11688	0.7
124.99942	0.8
125.09573	0.6
129.05463	0.7
129.07001	5.1
131.08508	3.9
133.06529	1.7
133.10112	4.1
135.11650	1.4
137.09570	0.7
142.07736	1.2
142.26262	0.7
145.10097	1.3
147.08051	2.3
147.11659	4.6
149.05969	2.3
149.09587	2.2
149.13263	1.0
155.01007	5.8
157.10091	6.4
159.07999	0.7
161.08142	1.0
163.11165	12.3
164.11519	4.4
165.12749	1.2
173.02104	4.1
175.11168	7.6
177.12766	0.7
183.00476	1.4
184.07347	6.8
193.12227	14.2
194.12607	0.6
205.12190	1.1
211.13226	1.4
213.12836	0.7
217.37230	0.6
219.17413	3.1
220.17807	2.0
237.22166	3.0
237.74777	0.6
247.05820	0.9
249.14853	3.4
267.12323	7.0
267.15915	19.7
268.12576	3.1
311.25769	19.3
312.26193	0.6
323.18463	5.7
324.19019	5.0
347.12518	2.5
388.16162	0.6
391.67325	0.6
403.15057	1.9
415.17331	1.3
416.17569	1.7
421.15982	0.8
433.18420	2.9
434.18900	2.6
471.23679	1.7
472.24142	2.5
475.37646	3.3
485.36191	3.4
489.25003	1.4
490.25168	3.0
503.37247	100.0
504.37778	6.1
521.38098	1.2
527.29761	1.0
527.36932	0.8
528.30450	3.3
546.31262	1.3
605.28143	0.7
657.36914	0.8
676.44708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.05499	5.2
57.03435	1.5
57.07058	3.6
59.17786	1.3
61.02918	3.7
65.03941	1.5
67.05495	10.2
68.05827	1.9
68.99780	2.8
69.03428	6.1
69.07067	5.5
70.97429	4.2
71.04977	1.6
71.08623	4.1
73.02891	1.2
76.36933	1.3
79.05481	6.2
81.03427	6.0
81.07035	11.4
82.07378	1.4
83.04975	3.2
83.08595	3.3
85.02877	6.7
85.06524	1.6
85.10184	1.3
89.03888	1.1
91.03968	1.4
91.05442	6.1
93.07021	6.4
95.04953	5.3
95.08591	8.0
97.02895	4.8
97.06493	2.8
97.10165	2.8
99.04447	1.6
105.03369	1.5
105.07012	4.1
107.04964	2.1
107.08585	4.0
109.02844	2.7
109.10126	3.5
111.04420	2.3
117.06947	1.6
119.08585	2.9
121.02879	2.3
121.10139	2.5
123.11665	2.0
125.09617	2.5
126.63013	1.0
127.03914	3.8
130.42506	1.3
131.08536	3.3
133.10118	2.4
135.11679	2.2
136.40465	1.2
137.02396	2.0
139.00246	8.9
141.05463	2.1
143.08475	1.2
145.10115	1.5
149.05943	8.5
151.03879	52.2
151.04912	2.8
151.11241	1.5
152.04237	1.4
153.09053	1.5
163.11113	1.8
175.03905	2.7
177.05472	2.8
183.02892	3.8
184.07368	3.2
193.01306	1.3
193.04939	1.3
216.07579	4.1
259.05865	2.0
269.17435	1.3
273.03632	1.7
283.15417	1.8
285.07495	2.0
287.05432	12.2
298.04745	10.6
301.06979	1.8
313.07007	25.6
315.04938	67.8
316.05667	12.7
319.05884	2.2
325.07236	1.7
326.04062	10.9
341.06479	46.7
342.06866	2.1
343.08267	2.2
347.05429	2.5
347.14673	14.1
353.06467	2.0
359.07440	2.3
369.05975	1.8
379.08270	1.3
385.23694	2.1
386.23880	3.2
421.14285	1.5
439.20633	1.6
441.26453	1.4
445.19556	1.9
453.19040	10.1
456.30984	1.2
459.27072	7.1
460.27634	20.0
467.20526	8.5
473.19458	4.2
477.18970	1.8
477.27597	5.8
478.28696	16.1
480.17322	1.5
495.20068	59.6
496.19849	2.2
496.29678	2.4
501.18878	5.0
513.21124	100.0
514.21564	4.7
519.19427	1.5
567.76440	1.5
631.23370	3.6
675.22778	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	675.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
55.05477	0.4
57.07065	1.7
61.02920	0.2
65.03917	0.2
67.05500	1.2
69.03421	0.7
69.07037	0.5
70.57281	0.4
71.08617	1.9
75.20198	0.2
79.05479	0.4
81.03381	0.4
81.07053	1.6
83.04940	0.3
83.08575	0.2
85.02890	1.1
85.10161	0.9
91.05478	0.3
93.07021	0.4
95.04928	0.2
95.08590	1.8
97.02862	0.5
99.08034	0.2
105.07018	0.3
109.02850	0.2
109.06516	0.2
109.10155	0.2
111.04408	0.3
119.08560	0.2
121.02858	0.3
127.03905	0.3
131.08534	0.2
133.02823	0.2
136.59985	0.1
137.02290	0.8
141.05362	0.2
145.10030	0.2
149.02370	0.8
149.05960	0.7
151.02644	0.3
151.03883	6.2
151.04962	0.3
153.01813	0.6
155.03366	0.2
155.14276	0.3
158.89565	0.1
165.01796	0.9
168.00552	0.4
169.01195	0.2
175.03862	0.4
183.02885	2.4
184.91809	0.2
185.00714	0.2
186.01596	0.5
187.03780	0.2
191.03278	0.3
193.01309	0.9
193.04958	0.7
194.05280	0.2
199.02386	0.2
200.03162	0.6
205.01265	0.3
211.02344	3.5
229.04970	0.2
243.06430	0.2
245.04350	0.2
257.04486	0.3
257.08029	0.2
263.06720	0.2
273.03891	0.4
284.03064	0.2
285.03894	0.4
285.07498	0.8
287.05719	0.6
291.06400	0.2
295.05969	0.2
298.04608	1.3
299.05493	0.5
301.03323	0.7
302.04260	0.2
303.04965	0.2
313.03366	1.8
313.07034	2.1
314.04065	0.3
315.04904	1.2
316.05707	7.6
317.06140	0.7
323.05484	0.2
326.04166	1.6
327.05222	0.2
329.06497	1.0
330.07233	2.8
331.19046	0.4
341.06506	3.4
344.05209	9.3
345.05811	0.5
359.07547	100.0
360.07910	3.8
386.09225	0.2
391.95093	0.2
429.11627	0.3
430.11948	0.5
455.18402	0.2
466.82697	0.2
467.20456	0.2
473.19525	1.3
477.28442	0.3
483.18036	1.7
485.21790	1.7
495.20258	0.7
501.11526	0.2
501.18909	3.1
502.19354	0.2
513.21381	16.1
514.21918	0.8
521.13159	0.2
577.37170	0.5
643.21344	0.2
669.08838	0.2
675.35071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
55.05502	4.8
56.94578	0.4
57.07061	3.8
61.02916	2.4
62.49826	0.4
67.05495	5.3
68.99781	0.9
69.03413	1.2
69.07061	2.9
69.58733	4.0
71.04964	0.5
71.08612	1.3
71.62324	0.4
73.02904	0.6
73.99189	0.4
79.05495	1.9
79.08264	0.3
81.03391	1.5
81.07048	5.5
83.04945	0.7
83.08608	2.2
85.02892	2.8
85.10165	1.0
86.09679	0.5
90.38030	0.3
91.03943	1.0
91.05466	2.4
93.07043	2.1
95.04942	0.9
95.08585	3.8
97.02862	2.2
97.10146	1.2
98.21470	0.9
105.07014	1.2
107.04949	0.4
107.08558	1.1
109.10132	2.2
111.00780	0.8
111.08055	0.5
117.07018	0.8
119.08575	0.8
121.10120	0.4
123.04395	0.7
127.03907	1.3
131.08571	1.2
133.10100	0.8
134.80219	0.4
135.04471	0.4
135.11685	1.1
137.02286	0.7
139.03885	1.3
147.04436	0.8
149.02309	1.0
149.13242	0.4
153.01802	16.8
159.04491	0.5
161.02315	0.7
161.05907	0.9
165.01814	1.7
171.02968	0.6
173.06017	0.7
175.03909	1.2
177.05379	0.6
183.02913	0.7
184.07347	1.1
185.06010	0.5
187.03909	1.7
189.05415	1.2
191.03401	0.8
193.04953	0.7
201.05522	0.5
203.03374	2.8
205.01208	0.6
207.02835	1.1
213.05499	0.8
215.03342	3.9
217.04948	0.9
219.02716	0.5
225.05431	0.9
227.06984	0.6
229.01355	0.5
229.04974	1.8
231.02904	1.3
231.06482	0.4
239.03429	1.1
241.04967	0.9
243.02689	0.5
245.04451	0.9
253.04933	0.9
255.02930	1.6
257.04507	1.6
267.06229	0.5
269.04395	1.1
273.03845	3.2
273.18506	0.4
281.04477	1.2
283.02344	1.3
283.05847	1.0
284.03165	1.4
285.03851	3.5
286.04724	1.1
293.21130	0.8
295.05856	0.6
297.03949	1.8
298.04755	0.6
299.05405	2.7
301.03293	3.9
303.04935	6.1
309.04019	1.0
309.07468	0.7
311.05502	1.7
313.03375	37.3
314.03854	1.9
315.04913	2.0
323.05450	1.1
325.03403	0.9
325.07062	0.8
326.04065	2.6
327.04929	13.1
329.02808	8.0
337.03400	1.2
337.07233	0.7
339.04922	4.1
341.06686	1.9
342.03555	0.4
343.04306	1.9
351.05096	0.6
353.06628	0.6
355.04428	17.6
355.19131	0.8
356.04849	0.8
359.07361	0.5
365.06339	0.6
439.21082	0.9
449.19540	0.6
453.19153	0.7
467.20642	8.2
468.21078	0.6
477.19009	1.4
477.28442	1.6
495.20068	48.9
496.20529	2.4
513.21143	100.0
514.21350	5.1
537.21161	1.6
577.37030	0.8
675.34723	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.6
56.21370	0.4
57.07062	7.8
57.28124	0.5
61.02914	5.3
67.05497	6.6
68.99759	1.3
69.03370	1.6
69.07052	3.4
71.04950	1.1
71.08617	4.2
71.78978	1.1
73.02866	0.8
79.05485	2.6
81.03358	1.9
81.07034	6.8
82.07341	0.9
83.04935	1.2
83.08599	2.8
85.02888	5.0
85.10162	3.1
86.97908	0.5
91.03894	1.8
91.05408	2.0
93.07024	3.3
94.07307	0.6
95.04907	1.5
95.08590	8.4
97.02888	2.8
97.06488	0.7
97.10139	0.8
99.04409	0.5
99.08048	0.5
101.05489	0.5
105.03357	1.1
105.06942	1.5
107.04908	0.6
107.08505	2.1
109.10124	2.6
111.00737	1.9
111.04383	0.7
115.05391	0.5
117.06976	0.6
119.08514	1.1
121.06467	0.7
121.10096	0.9
123.04385	0.9
124.00166	0.5
131.04865	0.6
131.08582	0.5
133.02757	0.7
133.06401	0.7
133.10085	0.7
137.02330	0.6
137.94168	0.5
139.03860	0.9
145.02731	0.5
145.10078	0.8
147.04350	1.7
151.03886	1.0
153.01801	19.7
159.04352	0.7
161.02246	1.5
161.05925	1.4
163.03821	1.8
163.11104	1.5
165.01768	1.5
169.06287	0.6
169.15784	1.1
171.04324	0.5
173.02252	1.0
173.05899	0.9
175.03867	2.0
181.06406	0.5
183.02769	0.8
185.06053	0.6
187.03859	2.1
189.05283	1.1
191.03305	1.0
197.05940	1.0
199.03810	0.8
201.05415	0.8
203.03340	2.8
213.05409	1.6
215.03354	1.3
217.04912	1.5
219.02878	0.6
221.05919	0.6
229.04950	1.3
237.05339	0.5
241.04980	0.7
242.05551	0.9
243.02766	1.9
243.06541	0.8
253.04916	7.0
257.04144	0.7
265.04846	2.0
269.04376	1.7
269.17392	2.0
270.05234	1.2
270.17780	1.6
271.05917	1.3
281.04401	16.3
282.04816	0.8
283.15317	3.3
284.15594	1.8
285.03928	3.9
294.91071	0.6
295.05930	0.9
297.03827	1.5
298.04709	9.1
299.05408	10.9
305.04361	0.5
309.03925	4.6
311.05405	8.2
313.03329	3.6
315.04984	1.1
319.06137	0.9
323.05453	1.5
327.04926	100.0
328.05219	3.4
339.04907	1.3
341.06595	0.8
341.17407	0.8
345.05991	6.8
347.05319	1.5
353.06262	0.6
355.04468	1.1
365.06366	1.5
369.06091	0.8
467.21268	4.7
473.19455	2.3
477.19086	2.9
477.28320	3.3
478.28793	9.3
485.17950	4.1
495.20065	72.6
496.20300	4.5
501.18970	1.5
513.21136	11.8
514.21558	1.0
519.20319	1.7
544.76941	0.6
617.95935	0.6
675.25513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62392	0.3
51.62671	0.3
53.03921	0.6
55.05497	1.5
57.03423	1.0
57.07065	2.5
57.84708	0.3
61.02924	1.9
65.03920	1.0
67.01839	0.4
67.05492	3.3
68.99784	2.5
69.03415	5.6
69.07065	1.9
70.14055	1.4
71.01354	0.4
71.04967	0.5
71.08613	3.1
72.98513	0.2
73.02898	0.5
74.26652	0.3
75.37929	0.2
79.05471	1.1
80.44433	0.2
81.03404	2.8
81.07044	3.5
83.08615	0.7
85.02896	7.4
85.10150	1.8
87.04430	0.7
89.03862	0.3
89.50180	0.2
91.03925	0.4
91.05466	0.5
93.03420	0.3
93.07008	1.0
95.04964	1.5
95.08594	3.5
97.02871	3.6
97.06521	0.3
99.04410	0.6
104.46415	0.3
105.07063	0.3
107.04907	0.4
107.08561	0.6
108.02013	1.4
109.02851	1.7
110.03624	0.4
111.00762	0.5
111.04427	0.7
117.03354	0.6
117.06983	0.3
119.04894	0.3
119.08562	0.3
121.02828	0.6
123.00742	0.4
123.04442	0.3
125.05997	1.3
127.03873	1.2
133.02849	0.3
134.03601	0.4
137.02335	1.7
139.00237	7.9
139.03877	0.3
141.01756	0.4
141.05455	2.5
145.02789	0.3
145.04909	0.6
147.04337	0.4
149.05951	11.7
151.03882	63.2
151.04944	3.7
152.04199	1.3
155.03323	0.5
155.14253	0.7
157.01263	0.8
160.01445	0.4
161.02467	0.3
161.05939	0.5
163.03912	0.5
165.01782	2.2
168.00542	0.4
175.03860	2.7
177.05463	1.1
179.03363	1.0
183.02867	3.3
185.00764	0.9
186.01570	1.1
191.03342	0.5
191.06918	0.4
193.01257	2.4
193.04948	1.8
195.02843	0.4
197.06029	0.4
199.03856	0.7
203.03362	0.9
203.06927	0.3
205.01326	0.5
205.04816	0.4
207.02838	1.1
213.05440	0.5
216.07541	0.7
217.04823	1.3
219.06526	0.5
221.00752	0.5
221.04413	0.3
229.49396	0.3
231.02806	0.6
235.06068	0.8
241.04893	0.4
243.06482	0.4
245.04482	0.9
259.05957	2.2
269.08130	0.5
270.05246	2.2
271.06046	1.6
272.03098	1.1
273.03958	0.8
282.05267	0.5
284.06799	0.3
285.04727	0.3
285.07498	1.8
286.04630	0.6
287.05447	16.8
288.05853	0.9
289.07141	1.0
295.06018	0.7
296.06845	0.5
297.07477	1.2
298.04669	11.9
298.08008	0.4
299.05353	2.5
300.02573	0.7
300.06168	0.8
301.03366	0.8
301.07007	2.5
302.04291	0.4
308.06705	0.6
309.07596	0.5
310.04660	0.5
311.05502	0.8
311.08817	0.3
312.06284	1.0
313.07010	28.7
314.07498	1.9
315.04932	76.7
316.05627	15.8
316.11188	0.4
317.06219	0.9
319.05923	0.4
319.15259	0.8
322.04523	0.5
322.08249	0.4
323.05365	0.8
323.09082	0.8
325.07068	1.6
326.04156	15.4
327.04703	0.9
327.08575	1.6
329.06540	0.8
329.13599	0.4
335.09293	0.3
336.06369	0.4
337.06958	2.1
338.07730	0.6
339.04901	0.5
339.08600	0.7
340.05768	0.6
341.06503	52.3
342.06912	3.4
343.08072	2.4
347.14807	14.9
348.15155	0.9
351.04852	0.5
351.08542	1.0
353.06561	2.3
354.07199	0.4
355.08011	1.1
359.07504	2.3
365.06226	0.7
366.06766	0.4
367.08090	0.6
369.05804	1.9
379.08041	1.8
423.21600	0.4
425.19290	0.5
427.21387	0.6
438.16595	0.4
439.21158	2.2
449.19467	1.4
451.21072	0.4
452.18240	0.6
453.19012	10.9
454.19357	1.1
460.27774	0.7
467.20569	9.8
468.20813	0.6
477.19064	2.8
478.19162	0.4
478.28696	0.5
480.17657	0.8
481.18015	0.4
495.20062	59.4
496.20386	5.8
501.18793	0.3
513.21136	100.0
514.21509	10.1
631.23346	0.3
672.39941	0.3
675.26550	3.9
676.25995	0.3
690.23822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.7
55.05502	9.9
57.03429	7.3
57.07037	1.1
58.88592	0.3
59.04959	1.2
60.62012	0.2
61.02919	4.3
65.03916	0.7
67.05493	20.3
69.03415	1.8
69.07058	7.3
70.06555	0.6
70.60316	0.8
71.01318	0.4
71.04988	3.6
71.08584	0.4
73.02872	1.3
79.05481	18.4
81.03407	13.5
81.07043	29.6
81.68263	0.3
82.07367	0.4
83.01337	3.6
83.04511	0.5
83.04965	7.5
83.08607	11.8
84.62719	0.3
85.02890	6.2
85.06528	1.7
87.04414	0.4
91.03938	2.0
91.04919	0.7
91.05466	13.2
93.07027	26.1
94.07328	0.3
95.04954	7.8
95.08585	8.2
97.02879	3.2
97.06510	4.2
97.10175	1.7
99.04411	1.3
99.08054	1.0
102.09127	0.4
103.05417	0.5
105.06326	0.4
105.07015	7.4
107.04306	0.4
107.04943	4.6
107.08578	14.7
108.08875	0.4
109.06499	3.9
109.10166	1.5
111.04440	1.5
111.08076	3.0
113.05904	0.3
117.06264	0.5
117.07004	6.0
119.08553	6.2
121.06492	2.5
121.10120	7.0
123.04382	0.3
123.08056	4.3
123.11690	2.0
125.05954	0.9
125.09563	0.9
127.03881	0.6
129.07018	1.9
131.04875	0.5
131.08542	4.9
133.06438	0.7
133.10110	5.7
135.08041	1.6
135.11665	8.3
137.09592	0.9
143.08530	0.5
145.04927	0.5
145.06390	0.9
145.10100	6.7
147.08023	1.2
147.11624	1.6
149.02299	1.0
149.03381	0.3
149.09659	1.5
149.13240	6.1
151.11157	0.7
153.12695	1.1
155.08508	1.0
157.10068	1.6
159.11636	2.6
163.11162	11.1
165.12683	0.6
167.14258	0.3
173.09581	1.3
175.11179	1.4
177.12711	1.4
181.12219	1.5
191.10660	1.1
193.04918	0.8
193.12198	3.3
194.12561	0.3
195.13770	6.0
209.11697	2.8
211.13269	1.9
213.14825	0.7
227.12770	2.0
228.23218	0.5
233.15411	0.3
267.15875	11.3
268.16260	0.4
269.17432	28.4
270.17764	0.8
283.15356	41.7
284.15656	1.3
285.16925	1.9
291.06445	0.4
327.04852	0.4
359.12820	0.3
367.22748	0.9
385.23749	1.0
403.24554	0.5
413.21457	0.4
429.11954	0.5
429.20764	0.4
433.25906	1.3
441.25983	0.6
445.20099	0.3
459.27332	6.6
460.27890	0.4
473.13861	0.5
473.19604	3.8
477.28409	100.0
478.28723	6.4
478.35181	0.4
489.75580	0.3
491.20804	0.6
621.32428	0.3
674.35284	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	0.4
54.22572	0.4
55.01858	3.8
55.05501	8.7
57.03430	9.2
57.07067	2.2
58.06582	0.3
59.04980	2.0
61.02912	3.2
62.29543	0.3
64.06568	0.3
65.03928	1.7
65.97657	0.3
67.05492	26.0
67.05824	0.9
68.05785	0.7
69.03380	1.5
69.07056	8.1
70.06576	4.4
70.07362	0.4
71.01317	0.7
71.04984	2.9
71.08606	0.8
71.52225	0.6
72.08090	0.5
73.02861	1.3
77.03870	0.5
79.05479	18.1
81.02940	0.4
81.03400	6.9
81.07041	35.2
82.07344	0.8
83.01327	4.2
83.04961	7.5
83.08604	10.1
85.02884	5.0
85.06533	1.8
87.44015	0.3
88.07614	3.9
91.03950	1.7
91.05463	11.3
93.07026	29.6
94.07333	0.6
95.04951	4.7
95.08595	10.6
97.02879	3.0
97.05952	0.5
97.06506	5.4
97.10113	1.1
99.04396	1.3
99.08033	1.1
102.09154	2.0
105.03345	0.7
105.06430	0.4
105.07009	5.6
107.04305	0.4
107.04928	4.2
107.08575	16.4
109.02799	0.5
109.06501	4.1
109.10090	1.7
111.04440	1.8
111.08080	3.3
111.11672	0.6
115.05424	0.4
117.06246	0.6
117.06987	7.1
119.07814	0.5
119.08553	5.2
121.02781	0.5
121.06497	2.8
121.10122	9.6
123.07210	0.5
123.08041	4.3
123.11636	1.4
125.05936	1.3
125.09599	0.9
129.06937	0.9
130.07785	0.8
131.08540	4.8
132.10153	0.6
133.10110	4.8
135.08006	1.4
135.11667	8.8
136.11931	0.5
137.09538	0.8
139.03847	0.8
139.07469	0.5
139.11192	0.4
142.70459	0.5
143.08534	0.5
145.06465	0.5
145.10106	7.9
145.11230	0.8
146.10474	0.5
146.11670	0.5
147.04385	0.7
147.07970	1.3
147.11610	1.4
149.02318	11.7
149.03430	1.0
149.05893	0.7
149.09590	0.6
149.13232	10.8
150.02608	0.4
151.11172	0.4
153.01761	1.6
153.12682	1.5
155.08485	0.6
159.11671	4.6
163.11157	11.7
173.09576	1.9
175.03860	0.9
177.05356	0.5
177.12720	2.1
181.12158	1.6
187.56401	0.4
189.05443	0.5
191.10623	1.7
193.04938	6.4
195.13773	5.0
209.11662	2.8
213.14709	0.5
225.05273	0.5
227.12807	1.8
228.23186	8.0
237.07465	1.6
251.16168	0.5
265.14331	1.1
267.16022	0.6
269.17429	48.3
270.17719	1.3
272.25842	2.1
281.04413	0.8
283.15350	39.2
284.15665	1.5
297.04004	0.5
313.06961	0.4
316.07379	0.4
319.06274	0.5
327.04874	2.7
341.06509	1.2
344.04892	0.5
347.05142	0.5
359.07883	0.7
385.09091	1.7
403.10138	1.9
429.11713	4.5
430.11987	0.6
459.27399	2.5
473.13550	2.0
473.19641	1.6
477.28400	100.0
478.28729	5.9
491.20041	0.5
494.18625	1.3
495.20370	2.1
495.28854	0.4
499.33725	0.4
513.17346	0.5
519.19720	0.6
614.54938	0.4
634.23706	0.4
674.35211	18.1
675.35297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54950	0.3
52.87512	0.3
53.27402	0.2
54.03456	1.1
55.04236	0.5
61.96783	0.3
65.03935	0.5
65.42520	0.2
67.05495	0.6
67.99008	0.3
68.99786	0.7
69.03402	0.7
70.06580	100.0
70.89651	0.8
71.06915	0.7
78.83485	0.3
79.05495	0.4
81.03412	0.8
81.07067	0.4
82.67984	0.3
83.04976	0.7
85.02886	0.5
89.03918	0.7
91.05480	0.8
93.03403	0.5
95.04950	1.5
97.02923	0.3
99.04398	0.3
103.05459	0.5
105.03379	0.3
107.04971	1.3
109.02859	0.7
109.06500	0.6
111.04437	1.4
119.04939	1.2
121.02872	0.4
123.04413	6.7
127.03938	0.5
129.05467	0.4
131.04922	0.6
134.25294	0.3
135.04393	21.3
137.02452	0.3
137.05960	5.1
139.03880	6.1
147.04382	1.7
149.06003	0.3
151.03891	2.0
153.05434	1.3
159.04384	1.4
161.06020	1.2
163.03880	27.9
164.04507	0.5
165.05458	16.0
169.06465	0.3
171.04520	0.3
173.05928	0.5
175.03909	0.7
177.05450	1.8
178.04980	1.2
179.03351	0.5
181.06410	0.4
187.03885	4.2
187.07495	0.5
189.05447	1.0
201.05495	1.1
203.03383	0.5
203.06937	0.5
205.04939	1.7
206.04491	1.9
207.08156	0.4
211.07632	0.6
213.05431	0.5
215.07120	0.8
217.05011	0.7
219.96611	0.3
227.07068	0.4
229.04926	2.3
229.08649	0.4
235.07579	0.5
239.07080	0.9
241.04897	0.8
243.06566	1.0
251.07191	0.3
253.04797	0.3
255.06506	0.6
259.05991	1.5
263.07013	0.4
267.06537	1.3
269.08160	0.7
271.05972	3.6
271.08649	0.4
279.06540	0.6
280.06836	0.6
281.08011	0.4
283.05862	1.7
285.07510	8.1
286.07996	0.3
289.07162	1.1
291.08768	0.4
295.05927	2.3
297.07510	1.9
299.09216	0.8
301.07050	2.8
309.07483	1.7
313.07019	3.7
313.10370	0.3
315.08469	0.8
325.07043	3.6
327.05164	0.6
327.08572	3.8
338.10284	0.4
384.14316	1.5
408.10254	0.3
411.10880	1.3
435.10989	0.8
447.10898	3.4
453.11911	1.0
465.11716	3.0
477.76755	0.3
605.16205	1.3
617.16498	5.8
637.23633	0.3
674.22235	31.6
675.22729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.5
55.01862	5.2
55.05262	2.3
55.05507	25.4
55.96462	1.6
57.03425	13.0
57.07050	2.5
58.10208	1.7
60.08147	3.3
61.02917	3.0
65.03938	6.4
67.05492	90.2
68.05840	2.9
69.03418	35.0
69.07056	26.9
71.04974	6.6
71.79170	3.6
79.05480	63.2
80.05815	2.7
81.03403	32.1
81.07040	100.0
81.99511	1.9
82.07372	4.4
83.04949	10.9
83.08606	18.7
85.02895	7.3
85.06541	5.4
86.09691	16.4
87.04457	1.8
91.05459	52.9
92.05825	2.6
93.07027	86.4
94.07381	4.4
95.04951	20.6
95.08588	86.5
96.08910	10.8
97.02874	5.8
97.06503	12.0
97.10123	4.5
98.98467	2.0
99.04436	5.6
99.08096	2.6
100.35580	2.0
103.05493	1.7
105.07011	39.9
107.04938	9.8
107.08572	39.6
108.08936	2.2
109.02886	5.2
109.06519	9.0
109.10133	19.5
110.10464	1.8
111.04424	8.1
111.08054	7.7
113.05968	2.4
115.05437	2.3
117.06995	21.8
119.08562	29.8
121.06493	6.6
121.10129	28.8
123.04385	2.6
123.08057	8.2
123.11679	10.5
124.99967	8.7
125.09561	2.8
127.03896	3.9
128.06218	2.7
129.07004	10.0
131.04932	2.7
131.08536	27.3
133.06482	4.9
133.10098	24.3
134.10431	2.0
135.08040	7.3
135.11668	17.5
137.06015	2.8
137.09612	3.4
141.06967	5.1
142.07767	2.0
143.08508	11.8
145.06467	4.0
145.10094	18.8
146.10480	2.0
147.08020	6.2
147.11676	15.4
149.06006	4.4
149.09601	5.3
149.13232	15.8
150.06285	1.8
151.11174	3.2
155.08553	6.9
157.06491	3.3
157.09036	2.0
157.10114	10.1
159.08098	4.2
159.10178	4.8
159.11691	16.9
160.12080	2.3
161.09634	3.9
161.13283	7.1
163.11169	3.4
163.14845	3.1
165.12787	2.1
167.08575	4.0
169.10162	4.8
171.08022	2.5
171.11664	7.5
173.09566	3.0
173.13271	6.0
175.14819	2.7
177.12790	5.6
181.10184	2.8
183.11697	6.5
184.07320	43.4
184.08873	3.4
185.09610	2.4
185.13258	4.8
187.14885	4.5
189.12823	2.5
193.10181	2.3
193.12202	2.7
195.11800	3.0
195.13799	8.8
197.13324	4.1
199.11191	3.0
199.14784	2.5
207.13808	2.2
209.13246	4.0
213.14825	3.3
215.12729	18.8
216.13080	8.4
221.13228	2.2
225.12831	2.5
231.13551	1.9
239.14313	3.1
259.20657	3.2
261.22095	5.2
262.22571	4.2
267.15808	3.5
269.17426	14.8
273.14761	3.6
273.18558	2.5
275.20038	1.9
277.21597	5.2
285.22162	2.0
301.21664	7.1
302.14795	2.3
303.15738	2.4
303.23038	2.9
313.21759	2.0
319.22565	3.5
327.23242	2.8
335.25793	12.0
336.26041	16.3
339.18088	6.0
341.24759	3.0
351.23065	5.2
353.24902	2.3
369.24295	12.7
377.27100	1.8
382.77905	1.7
387.25446	7.0
395.20535	4.7
405.26196	2.7
425.27185	2.8
443.27936	4.6
461.29080	8.2
464.97018	2.3
475.34186	3.9
476.34415	15.5
529.38953	2.4
625.39856	3.4
637.40179	10.4
655.42053	15.0
673.42859	64.8
674.43341	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	673.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22878	0.5
55.01835	0.9
55.05496	3.3
57.03429	4.5
57.07063	9.8
67.05496	4.9
68.99759	1.0
69.03407	0.9
69.07028	1.7
70.58930	0.5
71.04980	28.5
71.08611	3.7
73.02893	0.6
75.04426	0.7
78.45811	0.5
79.05450	1.9
81.03398	1.3
81.07045	3.9
83.04944	0.8
83.08578	1.8
85.02890	29.4
85.10138	2.1
86.06033	0.6
87.04409	1.1
91.05440	1.0
93.07007	1.8
95.04944	0.8
95.08590	6.5
97.10152	1.1
102.21320	0.6
102.68986	0.5
105.03328	0.6
105.06963	1.1
107.08549	0.7
109.10101	2.5
111.00749	2.3
123.64540	0.6
129.05444	5.8
137.02274	0.7
139.03906	0.6
147.04323	1.4
147.06429	1.0
153.01808	16.1
161.02301	1.6
163.03841	1.4
165.01755	1.6
173.02315	0.9
175.03873	1.1
183.02882	0.7
183.17383	1.7
184.07275	1.1
187.03928	1.4
191.03325	0.7
193.04915	0.7
195.02818	0.7
203.03377	1.9
215.03381	1.1
219.02856	0.8
225.05460	0.9
229.04973	1.0
237.05324	0.8
242.05626	0.7
243.02882	1.7
245.04807	0.6
253.04945	5.5
259.06216	0.6
265.04993	1.6
269.04456	1.5
271.05975	1.5
281.04416	14.9
282.05002	0.8
285.03879	3.3
295.06125	1.0
297.03885	1.6
298.04688	8.9
299.05487	7.2
300.08841	0.6
309.03903	4.0
311.05450	6.6
313.03394	2.2
315.05151	1.3
323.05502	1.7
327.04941	100.0
328.05240	2.6
339.04889	1.5
343.04349	1.3
345.05957	5.7
346.69983	0.6
351.05054	1.2
369.06049	2.5
465.18256	1.3
475.30383	0.8
476.30804	0.7
481.22156	6.2
491.20737	3.0
509.21634	75.6
510.22247	3.5
527.22650	16.2
551.22961	0.8
600.93884	0.7
673.29602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
56.05023	0.6
56.96141	0.1
57.07059	0.3
58.06320	0.3
58.06614	0.5
60.08152	5.6
67.05489	0.5
69.07061	0.2
69.71011	0.3
69.71416	1.1
71.07359	2.6
71.08629	0.4
74.09698	0.1
75.31648	0.1
79.05482	0.3
81.07038	0.5
83.08584	0.2
86.09688	26.8
87.10005	0.2
89.06016	0.5
91.05448	0.2
91.81001	0.1
93.07016	0.3
95.04926	0.2
95.08570	0.5
98.98437	2.4
104.10722	1.7
107.08547	0.2
109.06540	0.2
113.76832	0.1
119.65556	0.1
121.10108	0.2
124.99976	17.1
133.08549	0.4
143.01065	0.2
155.34550	0.1
166.02614	0.2
177.11261	0.1
184.07307	100.0
185.07663	1.1
255.18130	0.1
263.58923	0.1
351.45721	0.2
412.24332	0.1
613.25342	0.1
668.98877	0.2
672.35284	0.2
672.45844	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	673.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
55.01846	1.3
55.05503	5.1
57.03427	6.2
57.07069	10.0
61.02891	0.7
62.48649	0.5
67.05493	6.4
68.99757	0.8
69.03384	2.0
69.07027	2.2
70.06544	0.6
70.25044	1.2
70.25431	0.9
71.04978	29.5
71.08613	5.1
72.55327	0.5
79.05476	2.8
81.03397	4.8
81.07037	7.0
83.04943	1.5
83.08602	3.4
85.02887	28.0
85.10154	2.7
87.04432	0.7
91.05425	2.1
93.07013	2.9
95.04912	1.6
95.08585	7.5
97.02823	1.0
97.10105	1.9
105.03364	0.6
105.06978	2.1
107.04932	1.2
107.08558	2.0
109.06484	0.6
109.10144	4.1
111.00757	1.9
111.04406	0.9
111.08002	0.9
117.06937	0.8
119.08522	1.2
123.04415	0.8
123.08005	1.3
125.09589	0.7
127.03840	0.7
129.05463	6.1
129.97147	0.5
131.08461	0.7
133.02884	0.6
133.10092	0.7
137.02318	0.8
139.03828	1.3
145.04773	0.5
145.10086	1.2
147.04356	1.2
147.06526	1.2
147.11626	0.8
149.02266	1.3
153.00621	0.8
153.01797	15.1
157.10080	0.6
159.87805	0.5
161.02277	2.3
161.05867	0.6
163.03848	1.5
163.11147	1.0
165.01819	1.3
167.03436	0.5
171.02922	0.6
175.03905	1.1
183.02872	0.9
183.17355	1.6
184.07393	0.9
185.05840	0.8
187.03831	1.6
189.05435	1.1
189.17992	0.5
191.03372	1.3
193.04845	2.7
193.12102	1.1
195.02824	1.5
197.05946	0.7
201.05493	0.6
203.03384	1.4
213.05608	0.5
215.03363	1.0
217.04858	1.3
219.02785	0.8
225.05423	0.9
229.04886	1.3
237.05437	1.1
237.07521	0.7
243.02855	2.1
243.06488	1.0
253.04919	5.2
257.04346	0.9
259.06009	0.7
265.04941	1.5
267.06528	0.7
267.15848	2.5
268.16153	1.9
269.04440	1.0
270.05167	0.9
271.06042	1.1
280.03668	0.8
281.04407	15.4
281.07471	0.8
282.04865	0.9
283.15323	1.4
284.15683	1.2
285.03860	2.4
293.04321	0.8
295.05795	0.9
297.03909	2.4
298.04678	9.2
299.05408	9.5
309.03818	4.4
311.05396	7.8
313.03375	2.7
313.06702	0.8
315.04855	1.9
323.05542	1.5
326.04269	0.8
327.04932	100.0
328.05188	2.6
339.04922	2.9
340.05753	0.7
341.06491	1.3
345.05936	8.3
346.16956	0.5
351.04797	1.3
353.06348	1.0
355.19217	0.6
357.06372	0.7
369.06006	10.9
383.22040	0.8
384.22461	0.6
385.09369	0.7
393.05823	1.2
429.11670	2.9
437.08499	1.1
455.09695	1.5
458.26062	1.6
463.21252	0.9
473.10605	1.2
475.26871	1.9
476.27130	4.3
481.22092	6.2
491.20490	3.4
493.31226	1.2
509.21619	83.9
510.21957	4.2
511.32388	0.8
514.02490	0.6
523.59460	0.6
527.22736	18.8
528.22949	0.8
551.22772	2.3
575.35596	1.2
674.34888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.8
53.03919	1.0
55.01852	1.7
55.05263	0.8
55.05502	9.6
56.05834	0.7
57.03430	5.3
57.07068	32.5
61.02646	0.9
61.02919	13.4
61.08744	0.6
65.03913	0.8
67.05493	20.2
68.05809	1.8
69.03407	4.0
69.07057	10.6
70.06572	0.6
71.04980	1.4
71.08620	30.5
71.78720	1.1
73.02906	5.1
75.04453	2.5
79.05062	1.0
79.05476	10.7
80.05816	1.6
81.03401	10.3
81.07041	25.6
82.03705	0.8
82.07357	2.3
83.04964	2.9
83.08601	13.4
84.08932	0.6
85.02894	19.8
85.06509	1.0
85.10164	15.8
86.09665	0.6
89.06030	1.0
91.03941	14.7
91.05461	10.6
92.05788	2.1
93.07023	10.8
93.33003	0.7
94.07362	2.1
95.04948	10.7
95.07990	1.5
95.08591	29.4
95.88486	0.6
96.05289	2.0
96.08897	2.2
97.02875	9.4
97.10149	8.0
99.04431	1.4
99.08075	1.1
99.11703	1.2
103.07565	0.9
105.07018	6.9
106.07332	1.8
107.04916	2.3
107.08585	6.7
108.08907	0.8
109.02847	2.5
109.06499	1.3
109.09410	0.7
109.10147	13.4
110.10473	0.8
111.04404	1.1
111.11705	1.9
113.13253	0.8
114.15690	0.6
115.03925	0.8
115.05489	1.1
117.07008	4.6
119.04878	0.7
119.08574	4.5
120.08899	1.6
121.02839	1.3
121.06484	2.1
121.10122	3.3
122.06812	0.9
122.10402	0.8
123.04391	1.4
123.08065	1.3
123.11681	5.8
125.09611	1.7
125.13214	1.0
127.03894	6.6
129.06969	3.0
130.07338	0.9
131.04845	1.0
131.08533	3.7
132.08939	1.1
133.06415	1.9
133.10092	3.7
134.10487	1.1
135.08064	1.8
135.11655	2.2
136.08342	1.0
137.13223	2.2
141.06984	1.4
142.07678	1.2
143.08505	1.3
144.08818	0.7
145.04939	7.4
145.06435	1.6
145.10132	3.3
147.04350	1.4
147.08015	1.5
147.11667	2.2
149.09492	0.8
153.12720	0.8
155.08472	1.3
157.10138	1.8
158.10538	0.7
159.08023	1.3
159.11661	2.4
161.05957	1.4
161.13210	1.0
163.06006	13.1
163.07356	0.7
163.11165	1.2
164.11490	1.0
169.10089	1.8
171.07964	0.8
171.11697	1.0
173.05942	0.7
173.13257	1.2
175.07196	0.6
181.10007	0.8
183.11705	0.9
184.07314	2.1
185.13202	0.9
186.13618	0.7
193.12114	1.3
194.10625	0.7
194.12549	0.8
201.12839	0.8
211.13278	1.0
212.70152	0.7
239.23666	20.3
257.24719	3.7
267.15884	2.0
273.14807	2.5
274.15048	0.7
301.14240	3.2
302.14630	2.0
303.15543	0.8
304.16296	0.9
313.27307	100.0
314.27652	5.0
319.15305	1.6
320.15652	1.3
331.28375	49.9
332.28601	2.5
333.23792	0.9
334.24493	1.0
335.25708	2.1
336.25964	2.5
362.20624	0.7
375.18192	0.7
389.26999	0.9
393.19162	1.1
394.19229	0.7
475.32657	0.9
526.46851	0.7
528.37732	0.8
546.38702	1.2
608.40405	0.9
618.38599	1.2
624.39490	2.0
636.39795	6.3
649.98553	0.8
650.83990	0.7
654.40607	5.0
672.30365	1.6
672.41608	12.5
673.05823	0.7
673.41650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01868	0.3
55.05499	3.3
57.03434	3.3
57.07066	33.0
58.07399	0.5
61.02916	11.5
62.39940	0.2
67.05492	8.5
69.03422	1.4
69.07057	7.0
69.07403	0.2
70.06603	0.3
70.66853	0.2
71.04987	0.9
71.08618	27.4
71.48447	0.5
72.08979	0.3
73.02903	4.2
75.04462	2.1
77.03889	0.3
79.05479	0.9
81.03410	1.2
81.07042	13.4
82.07388	0.3
83.08601	10.8
85.02890	14.5
85.06548	0.6
85.10166	15.9
86.70112	0.2
87.04449	0.3
89.06031	1.1
91.03938	13.0
91.05465	0.6
92.43023	0.2
93.07040	0.7
95.04954	0.5
95.08591	22.0
97.02872	7.0
97.06519	0.4
97.10149	5.5
99.04439	0.9
99.08076	0.3
99.11719	1.1
101.02367	0.3
103.03942	0.6
103.07587	1.0
105.03387	0.5
105.07019	0.7
107.08544	0.4
109.02837	0.6
109.10139	10.5
111.11696	1.5
113.13264	0.4
115.03912	0.7
117.09172	0.4
119.08585	0.3
120.08070	0.3
121.02838	2.8
121.10130	0.5
122.03204	0.5
123.04409	0.3
123.11688	4.8
125.13256	1.0
127.03891	4.6
131.08574	0.2
133.06499	0.5
133.86322	0.2
137.13217	1.8
139.14778	0.3
145.04932	6.1
151.14787	1.1
163.05994	10.0
165.16382	0.6
173.15398	0.2
177.35579	0.3
184.07306	0.5
193.08638	1.8
194.08826	0.6
221.22617	1.1
239.23659	18.9
240.10175	1.0
240.24022	0.7
241.10516	0.3
257.24689	3.6
298.27322	1.3
313.27307	100.0
314.27649	3.8
331.28378	38.7
331.32571	0.6
332.28726	1.2
348.31088	0.2
394.67114	0.3
401.28873	0.4
419.07431	0.3
457.31564	0.5
468.15619	0.3
475.32520	2.7
476.32809	0.2
544.15088	0.3
626.86707	0.3
637.38147	0.4
652.72095	0.3
672.41083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
65.83414	0.1
69.73126	0.4
69.73539	0.2
70.06570	0.2
77.03895	0.1
81.03376	0.1
86.09690	0.2
91.05448	0.9
93.07027	2.2
95.04957	0.4
103.05448	7.3
104.05760	0.2
109.02870	0.1
111.04468	0.1
118.06487	0.2
119.07307	0.2
120.08082	100.0
121.02858	0.4
121.07594	0.2
121.08421	2.5
127.03879	0.2
137.05878	0.1
144.07986	0.1
145.02803	0.1
150.90581	0.1
163.03900	0.3
164.04204	0.1
173.02295	0.1
177.05556	0.1
191.08553	0.2
219.08099	0.3
219.66962	0.1
220.08444	0.2
236.08324	0.1
241.08440	0.1
251.10770	0.2
252.11011	0.2
258.11215	3.4
259.01001	0.1
259.11526	0.1
268.13257	0.3
269.13641	0.1
303.04895	0.1
316.18817	0.1
377.01529	0.1
520.43231	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	672.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01858	2.2
55.05489	0.3
57.03420	1.9
57.03655	0.3
61.02926	1.4
67.05492	0.6
68.99765	0.4
69.03416	8.3
69.07051	2.6
70.06576	0.6
70.57187	0.6
70.57583	0.5
71.04975	1.1
71.08611	0.4
72.08169	0.4
73.02899	1.4
78.04702	0.4
78.58276	0.2
79.05478	3.3
81.03402	7.6
81.07041	5.0
81.67780	0.3
85.02890	16.1
86.09696	0.4
87.00810	7.3
91.03901	0.3
91.05470	1.2
93.07025	0.8
93.48767	0.3
94.04214	0.3
95.04952	0.9
95.08601	0.3
96.05719	0.4
97.02874	7.1
99.04441	3.4
99.08073	100.0
100.08401	0.9
103.03883	0.5
103.05409	0.3
105.01843	4.3
105.03358	1.0
105.07008	1.7
106.04212	0.3
107.04935	12.2
107.08575	0.3
109.02855	7.0
109.03611	0.4
111.04397	0.3
115.03841	0.4
115.05450	0.4
117.01829	1.0
117.06989	0.5
119.08540	0.8
120.08119	0.3
121.02845	0.8
121.06466	1.3
121.10074	0.4
123.04411	1.9
124.05191	2.0
125.05966	0.9
126.05502	0.3
127.03887	10.7
128.06223	1.9
129.01804	0.5
129.06966	0.4
131.04942	0.5
133.06456	5.6
133.10045	0.4
135.08038	1.0
137.02289	0.5
137.05960	0.8
139.03900	0.3
140.04651	0.9
141.06969	0.3
142.07698	0.3
143.08537	8.1
143.10255	0.3
143.65611	0.3
145.04938	3.5
145.06451	1.0
145.10088	0.8
146.07236	0.6
147.02847	0.4
147.04364	1.2
147.07986	1.0
147.11650	0.4
149.05957	0.8
151.03871	1.1
152.04614	1.3
155.07001	1.5
157.06503	0.3
157.10152	0.3
159.02875	3.3
160.08841	0.7
161.05939	1.2
163.03938	1.8
163.06165	0.3
163.07436	1.4
167.07005	99.0
168.07373	1.6
171.08017	6.7
172.08246	0.3
173.05920	0.6
173.09608	0.6
174.06793	0.4
175.07536	0.8
175.11182	3.9
178.06218	0.7
179.06815	0.4
180.07813	0.6
181.04927	0.4
181.08543	4.2
188.08344	0.6
189.09100	0.5
191.07013	0.7
192.07764	0.4
193.08563	1.5
195.10120	4.4
199.07233	0.3
201.09004	0.3
203.10632	14.1
204.11061	0.4
205.08615	0.6
206.09323	0.9
207.06448	0.5
207.10052	0.4
208.10915	0.3
213.03940	0.3
219.10153	0.5
220.10851	0.8
221.11694	1.5
221.55025	0.3
223.13303	3.3
229.05009	0.3
231.04932	1.4
235.13243	61.9
236.13580	1.7
250.09799	0.3
251.12663	0.5
253.14302	75.6
254.14706	1.7
263.09225	0.4
265.12122	0.3
277.14490	0.3
279.12354	0.4
282.14810	0.4
296.12738	0.4
303.05014	1.4
304.05304	0.8
319.11719	1.2
331.11703	0.7
343.15475	0.4
351.25333	0.3
361.16275	0.3
407.20679	0.4
417.19122	0.3
431.20444	0.8
458.06131	0.3
497.21768	0.5
566.75012	0.3
581.53259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	10.3
55.01861	14.0
55.05505	33.2
57.03413	10.4
57.07047	4.0
62.07166	2.1
62.87667	2.4
64.40509	2.7
65.03919	5.1
67.05495	83.6
69.03434	11.0
69.07050	23.5
71.04972	6.6
71.08623	5.0
71.79836	3.4
77.03923	2.6
79.05480	76.9
80.82610	2.2
81.03405	63.2
81.06593	4.5
81.07043	75.1
83.04978	13.2
83.08598	14.9
85.02873	5.9
85.06528	4.5
91.05466	82.4
93.06490	4.5
93.07030	70.8
95.04955	100.0
95.08588	53.6
97.02862	9.2
97.06509	10.7
97.10140	15.8
103.05442	6.7
105.03365	6.3
105.04495	2.9
105.07021	56.7
107.04930	31.0
107.08571	39.9
109.02866	5.4
109.06509	14.4
109.10135	22.7
109.54247	2.3
111.04439	12.4
111.08050	6.7
112.04718	2.6
115.05436	7.7
117.07005	32.2
119.04919	10.3
119.08556	44.7
121.02831	9.7
121.06493	18.9
121.10126	26.6
123.04391	8.3
123.08041	9.0
123.11700	3.8
125.02326	2.8
125.09592	12.9
128.06293	3.3
129.06958	18.6
131.04909	15.4
131.08556	35.4
132.05482	2.4
133.06453	16.2
133.10104	22.1
135.04376	4.7
135.08067	13.7
135.11670	15.7
137.02325	3.0
137.05940	5.7
137.09566	3.3
139.03864	3.5
141.06979	10.2
143.08545	22.6
145.06432	13.2
145.10088	26.8
147.04410	16.4
147.08022	10.9
147.11626	11.9
149.05945	9.1
149.09589	8.9
149.13248	5.9
153.09079	3.0
155.08514	12.4
157.06461	6.8
157.08691	2.2
157.10083	15.1
159.08005	8.1
159.11644	16.7
161.05916	18.6
161.09586	13.2
161.13246	5.6
163.07460	3.4
163.11227	16.4
165.06859	5.0
167.08566	9.2
168.09253	2.8
169.10100	9.6
171.04436	3.3
171.08095	6.8
171.11673	11.9
173.05994	12.7
173.09595	5.8
173.13223	6.4
174.06720	13.6
175.07515	8.9
175.11171	3.2
177.05475	3.9
177.12717	4.5
179.08490	3.2
181.10048	6.6
183.08066	4.9
183.11646	5.9
184.07295	6.4
185.06029	3.7
185.09621	6.5
185.13246	9.1
186.64734	2.3
187.07494	9.8
187.11127	5.6
187.14784	3.0
189.05490	15.1
189.11198	5.9
189.12746	6.2
193.10228	2.5
193.12192	4.4
193.26437	2.6
195.11684	4.3
197.09633	3.0
197.13144	4.8
199.11198	4.9
201.12755	5.6
203.10698	3.2
203.14307	2.8
205.10205	3.7
205.12206	7.7
207.11662	2.9
209.09717	4.2
209.13293	4.7
211.11229	4.2
213.12608	4.1
221.13283	2.7
223.11203	5.5
223.13283	6.7
227.12631	4.9
235.13249	5.3
237.12785	3.1
239.14314	4.0
241.19380	3.5
245.15430	2.8
255.13840	3.9
259.13278	3.7
259.20590	4.6
261.22232	4.7
266.24765	2.6
267.15878	4.9
271.13284	3.5
273.14819	40.1
283.09708	3.8
283.13257	5.7
285.14737	6.5
289.14392	7.4
290.51608	2.9
301.14328	37.5
303.15927	20.6
315.23242	3.2
319.15436	14.4
333.24274	5.0
335.25800	25.7
337.16409	2.7
347.18546	4.0
351.23264	3.7
357.21579	3.2
375.17834	11.3
379.11667	2.8
389.26813	3.8
391.26227	4.5
393.19019	11.5
412.15192	3.5
430.16422	9.3
525.33246	5.2
530.38849	3.7
539.36560	3.0
543.34442	5.4
561.35565	5.4
581.38458	4.9
605.38184	3.8
617.38141	9.5
623.38965	12.7
635.39337	59.4
636.39532	7.4
651.72931	2.8
653.40363	30.7
654.39636	3.2
671.30237	16.6
671.41217	81.3
672.31274	3.3
672.41553	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	671.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75181	1.4
53.03936	10.4
55.01865	10.1
55.05501	42.7
55.16385	1.4
56.94787	1.6
57.03423	15.8
57.07067	12.3
58.61506	1.8
59.04988	2.0
61.02905	2.1
62.94519	1.6
65.03926	7.6
67.05492	99.5
68.05848	1.8
68.99776	2.2
69.03417	16.8
69.07052	31.2
69.79538	4.3
69.79967	9.9
71.01318	2.5
71.04968	7.8
71.08610	10.4
73.02879	2.4
77.03897	1.9
79.05004	3.1
79.05476	84.1
81.03403	88.0
81.07039	100.0
81.53344	1.7
83.04964	14.5
83.08607	31.3
85.02896	11.5
85.06506	5.2
85.10149	4.8
91.03956	2.3
91.05461	86.4
92.05794	1.9
93.03368	2.0
93.07028	79.7
95.01330	3.3
95.04948	79.9
95.08587	61.5
96.08916	2.2
97.02865	14.0
97.06523	10.9
97.10146	21.8
99.04441	3.4
103.05472	8.1
105.03374	3.9
105.04543	1.9
105.06313	3.8
105.07014	66.2
107.04932	23.5
107.08568	47.3
108.08878	2.4
109.02862	12.8
109.06506	13.5
109.10136	22.8
111.04426	13.0
111.08061	8.4
113.05953	2.4
115.03886	1.7
115.05441	9.3
117.06997	32.9
119.04946	8.3
119.08558	47.5
121.02839	9.9
121.06482	18.2
121.10123	31.8
121.77996	1.6
123.04390	8.8
123.08020	7.2
123.11693	7.0
125.09584	15.4
127.03874	4.3
128.06213	5.9
129.06967	29.3
130.07738	2.5
131.04904	14.1
131.08531	36.6
133.06458	12.9
133.10097	28.3
135.04381	4.7
135.08032	12.8
135.11649	14.8
137.02327	2.0
137.05977	5.3
137.09601	4.0
139.03897	1.7
141.07013	8.6
141.07890	1.8
142.07764	6.2
143.08540	16.3
145.06461	13.7
145.10107	26.6
147.04387	15.3
147.07993	15.0
147.11649	24.2
149.05954	10.1
149.09599	7.9
149.13210	6.0
151.03867	2.4
151.07510	1.8
153.06990	4.5
153.09061	2.1
153.12685	2.7
155.08513	12.4
157.06470	5.3
157.10068	19.4
158.07249	2.3
159.08049	8.1
159.11674	18.4
161.05981	14.5
161.09584	14.5
161.13251	6.2
163.03937	2.1
163.05925	2.0
163.07442	2.2
163.11165	12.7
165.05545	2.2
165.06940	2.9
165.12741	4.5
165.61404	2.1
166.07718	2.5
167.08531	7.9
168.09250	2.9
169.06410	3.2
169.10078	10.7
171.08067	11.2
171.11639	14.1
171.50899	1.8
173.05891	9.7
173.09555	7.5
173.13194	8.5
174.06673	8.7
175.03877	1.9
175.07539	5.6
175.11147	9.7
175.14723	4.6
177.12711	2.6
178.07730	2.3
179.08554	3.3
180.09267	2.0
181.06473	2.4
181.10072	8.6
183.08018	5.5
183.11679	11.8
185.05930	3.0
185.09602	4.4
185.13272	9.3
187.07544	6.8
187.11095	5.4
187.14796	5.0
189.05444	12.9
189.09222	2.4
189.11156	6.5
189.12712	4.3
191.10692	2.9
193.10262	4.2
193.12224	15.4
195.11630	6.6
197.05879	2.2
197.09515	5.1
197.13255	6.7
199.07524	3.1
199.11165	5.8
199.14825	6.7
201.12785	3.5
203.06912	2.0
203.10657	3.4
203.14220	2.1
205.10202	2.5
205.12201	7.4
207.11693	5.1
209.09500	3.6
209.13298	5.5
211.11279	3.8
211.13242	8.1
211.14958	3.9
212.87032	1.7
213.09109	2.5
213.12761	4.2
213.16380	2.6
215.10638	2.9
215.14249	2.7
221.09641	2.7
221.13402	1.9
223.11082	4.3
223.13078	4.3
225.12624	4.1
227.10735	2.3
227.12653	7.5
227.14484	4.0
229.12167	2.3
231.13770	2.9
233.15485	2.1
237.12747	3.6
237.18604	2.4
239.23706	3.6
243.13771	4.1
243.20982	2.0
249.14813	2.6
255.13724	3.7
257.15289	5.8
257.18906	2.2
259.13260	2.5
259.20615	6.3
261.22079	5.9
267.15817	20.3
271.13358	3.4
273.14795	31.1
275.16391	2.4
277.21628	2.0
283.13156	4.0
285.14609	3.6
289.14233	4.3
291.16077	2.6
301.14328	32.5
303.15854	14.8
313.27231	12.5
319.15302	28.3
323.23346	2.6
331.28281	4.9
333.24185	5.3
335.25769	43.4
337.16229	2.9
339.23190	2.7
347.18558	3.1
351.23273	6.1
353.24814	3.2
363.18454	2.0
369.24173	8.3
371.25610	2.5
375.17953	8.8
375.22372	2.0
377.19583	3.9
387.25107	2.2
389.27008	8.8
393.18997	12.1
443.27823	5.6
461.28400	2.0
497.34048	2.3
527.37164	7.7
530.38696	4.7
539.36731	2.1
543.34503	5.7
545.38330	9.1
551.25012	2.0
555.36823	2.7
561.35931	4.7
565.23450	2.3
579.36761	4.2
581.37506	2.7
593.38043	2.8
597.37701	2.2
599.37561	2.0
602.35144	2.2
605.38092	3.3
607.39563	3.0
617.37872	8.7
623.39252	11.6
625.40350	2.2
635.28864	2.9
635.39368	46.0
639.27899	9.5
641.39832	2.6
653.40277	43.3
654.39594	1.9
671.29608	24.6
671.41064	97.7
672.42609	3.7
674.86554	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21973	1.5
53.03933	12.0
55.01863	10.1
55.05502	38.3
57.03428	15.0
57.07056	4.6
59.04982	2.4
61.22713	1.5
63.69369	1.5
65.03929	6.3
67.05494	97.2
69.03417	17.8
69.07057	25.9
69.81331	9.2
71.01371	1.4
71.04977	7.4
71.08630	1.9
73.06538	1.4
77.03905	2.0
79.05009	2.8
79.05479	74.8
81.03404	89.4
81.07040	100.0
82.07386	2.0
83.04963	15.5
83.08604	26.6
85.02882	9.4
85.06532	3.8
91.05464	81.1
92.05744	1.5
93.07029	75.7
94.83456	1.4
95.04950	48.6
95.08591	57.2
96.08954	1.9
97.02882	14.8
97.06509	9.1
97.10152	15.6
99.04447	3.8
99.08092	1.8
103.05461	4.8
105.04413	1.4
105.06306	3.2
105.07016	61.2
106.07360	2.0
107.04934	16.4
107.08569	40.8
109.02846	17.7
109.06487	9.8
109.10145	21.8
111.04416	10.4
111.08064	9.3
113.05992	2.6
115.05472	5.3
117.07002	27.1
117.07790	2.6
119.04945	4.1
119.07713	2.8
119.08564	43.4
119.09390	2.8
121.02840	1.8
121.06463	11.5
121.10116	29.2
123.04423	6.2
123.08047	7.9
123.11673	7.6
125.02352	6.5
125.09615	11.0
127.03899	5.8
127.07541	1.9
128.06229	5.6
129.06982	28.1
130.07764	2.4
131.04918	5.9
131.08549	37.0
133.06479	9.1
133.10107	30.1
133.41447	1.6
135.04398	3.4
135.08020	8.2
135.11674	17.0
137.05983	4.5
137.09616	5.0
137.13263	1.8
141.06984	6.8
142.07790	5.4
143.08540	17.9
145.06435	8.9
145.10101	24.7
147.04388	4.6
147.08009	11.0
147.11658	23.4
149.05893	6.9
149.09541	8.5
149.13245	5.1
151.03935	1.6
151.07451	2.1
151.11052	1.7
153.06982	2.8
153.09186	1.7
153.12650	2.0
154.07729	1.8
155.08522	12.1
157.06509	4.2
157.10075	18.3
159.08020	7.2
159.11676	13.7
161.05969	6.5
161.09602	5.6
161.13234	7.6
163.07561	2.7
163.11186	7.6
163.14777	2.4
164.66238	1.6
165.05557	2.0
165.06973	2.3
165.12727	4.2
167.08528	3.7
169.10114	8.4
171.08031	6.2
171.11671	11.3
173.05960	2.6
173.09604	5.1
173.13210	9.8
174.06747	1.6
175.07547	2.0
175.11139	9.6
175.14720	2.4
179.08588	2.3
181.10117	4.6
182.10811	1.6
183.08107	2.8
183.11655	7.1
184.07446	1.8
185.09625	5.8
185.13246	7.8
187.07556	2.6
187.11172	4.9
187.14832	4.0
189.05496	2.8
189.09274	1.5
189.11198	4.7
189.16335	1.8
191.10579	3.3
192.09338	1.4
193.10197	3.4
193.12245	22.5
195.07928	1.8
195.11674	4.9
197.09607	4.9
197.11562	1.5
197.13281	4.1
199.11223	4.8
199.14798	3.5
201.12753	3.1
203.10632	2.3
203.14377	3.1
205.10138	1.6
205.12251	2.8
207.11566	1.7
209.13277	4.9
211.11214	3.7
211.13303	14.9
213.12732	4.1
213.16324	2.1
215.14308	2.6
219.13794	1.8
221.13257	3.8
223.14896	2.0
225.12737	1.8
227.12822	4.5
229.12288	2.3
233.15312	3.4
237.12793	1.9
237.16576	2.1
239.14148	1.7
241.15714	1.7
243.13873	2.7
243.21097	1.9
245.15472	1.8
249.90909	1.7
255.13896	3.4
259.13367	1.6
259.20599	4.6
261.22113	10.8
267.15854	39.7
273.14792	8.9
273.21875	1.5
275.20203	2.1
277.21600	2.1
285.17020	5.4
289.14230	3.2
291.16071	2.3
301.14294	12.2
303.15854	2.9
317.24841	1.9
319.15277	13.7
323.23618	3.4
327.23285	2.1
333.24359	2.6
335.25754	60.0
341.24796	3.4
351.23041	9.0
369.24252	16.7
375.18039	5.0
387.25357	4.6
393.19040	6.6
415.91214	1.6
435.32401	3.4
443.28082	7.3
453.33612	4.4
461.28873	3.2
527.37201	20.7
529.38593	2.2
530.39136	14.0
543.35443	2.7
545.38208	23.2
567.36414	2.1
597.37842	1.8
617.38611	2.4
623.39374	5.4
625.41248	1.8
635.39038	13.4
641.40228	3.6
653.40356	31.5
654.40222	2.0
671.29688	3.8
671.41339	76.6
672.41730	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	671.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.6
55.01862	1.2
55.05499	3.4
57.03421	1.3
59.04939	0.2
65.03906	0.2
67.01834	0.4
67.05490	4.4
68.99774	6.7
69.03412	1.5
69.07062	1.3
69.46265	0.5
69.46687	1.5
71.04989	1.2
79.05475	5.9
81.03403	7.7
81.07035	4.5
83.04964	2.3
83.08606	3.0
85.02887	1.2
85.06500	0.4
89.03867	0.4
91.05464	4.5
93.06503	0.3
93.07025	4.0
95.04391	0.3
95.04943	3.8
95.08579	1.6
97.02870	1.2
97.06465	0.8
97.09566	0.2
97.10145	2.9
99.04419	0.3
103.05441	1.8
105.03352	0.4
105.07001	8.3
106.07297	0.2
106.18815	0.2
107.04222	0.3
107.04929	3.1
107.08557	2.6
109.02819	1.0
109.06497	1.7
109.10134	1.4
111.00756	0.3
111.04358	0.7
111.08065	1.0
113.05946	0.3
115.05445	1.4
117.03331	0.9
117.06978	1.2
118.04072	0.7
119.04951	0.2
119.08560	2.1
121.02821	0.5
121.06477	5.5
121.09373	0.2
121.10120	2.0
123.04385	0.4
123.07996	0.7
123.11639	0.3
125.05943	0.4
125.09601	3.0
127.03858	0.7
129.05417	0.6
129.06969	1.6
131.04893	1.0
131.08534	2.2
133.02734	0.2
133.06473	3.8
133.10115	1.0
134.03560	0.8
135.04347	0.5
135.08047	1.0
135.11655	0.4
137.02309	0.4
137.05922	0.6
137.09579	0.4
139.00232	11.7
139.11035	0.3
140.00584	0.4
141.06905	0.4
142.07733	0.4
143.04892	0.3
143.08481	0.7
145.02771	0.3
145.06477	1.1
145.10104	1.2
147.04321	0.7
147.07994	0.9
147.11656	1.0
149.05946	13.7
149.09547	0.8
150.06258	0.5
151.03879	5.8
151.04967	0.2
151.07471	0.4
153.05324	0.2
153.09047	0.5
153.12682	0.3
155.08516	0.4
157.01294	1.1
157.10062	1.6
159.08022	0.5
159.11671	0.4
161.05946	1.9
161.09511	0.4
163.03857	1.0
163.06100	0.2
163.07477	0.5
163.11111	0.7
165.01852	0.3
165.05478	0.3
167.06963	1.1
167.08337	0.4
167.10623	0.2
169.01291	0.4
169.10063	0.3
171.04439	0.4
171.08043	0.3
171.11606	0.5
173.04393	1.0
173.05824	0.4
173.09547	0.3
173.13159	0.4
175.03900	0.3
175.07568	0.3
175.11157	1.1
177.05435	5.2
178.06012	0.7
179.07147	0.2
179.13997	0.3
180.07755	0.3
181.08498	0.2
183.02812	0.2
185.06000	0.5
185.09528	0.4
185.13184	0.5
187.14761	0.4
189.05432	0.4
189.11211	1.3
191.06976	0.2
193.08591	1.4
193.10638	0.2
193.12219	2.3
194.09297	0.9
195.09921	0.2
195.11607	0.3
197.13237	0.3
197.15253	0.2
199.03857	0.5
199.11009	0.4
201.12636	0.2
205.12187	0.3
205.15849	0.5
209.11606	0.4
211.11342	0.3
211.13196	1.8
213.12579	0.3
215.14262	0.4
217.04881	1.0
219.13657	0.5
223.13263	0.3
225.14680	0.3
227.03262	0.2
227.12628	1.6
229.14168	0.3
231.13751	0.3
233.15286	1.4
235.03857	0.2
235.05931	1.0
235.13168	0.2
237.12581	0.4
237.14824	0.3
239.14058	0.2
241.04872	1.1
245.04277	0.4
249.14777	0.4
258.05154	0.4
259.06003	1.2
259.13019	0.2
267.15863	3.0
269.04514	0.3
271.05899	0.3
272.03098	3.9
273.03552	0.3
273.14575	1.0
274.04675	3.7
275.04947	0.4
275.16226	0.2
283.15381	0.4
284.03143	0.2
285.03769	0.2
285.16867	0.5
286.04712	1.6
287.05435	44.0
288.05743	3.5
293.17395	0.3
298.04794	0.2
299.05420	0.8
300.06027	0.4
301.03714	0.3
301.07001	6.9
302.04160	13.1
302.07150	0.7
303.04572	0.8
303.40948	0.2
313.06955	1.0
315.04919	59.9
316.05374	6.6
317.06488	12.8
318.06805	1.1
326.04092	1.2
327.04996	0.7
327.08554	0.4
339.23029	0.4
341.06497	6.1
342.06763	0.5
349.21472	0.7
355.08124	1.1
357.24289	0.5
367.22601	2.5
385.23596	4.2
403.24661	1.7
418.07153	0.2
419.07587	0.4
420.07901	0.3
427.19537	0.2
429.21161	0.2
433.08917	0.4
434.09644	0.4
435.10840	0.4
436.07733	0.4
437.08090	0.3
441.26184	1.4
445.08969	0.4
449.08475	0.3
450.09552	0.2
451.10141	1.3
452.10547	0.5
459.27344	12.3
460.27570	0.7
475.26746	0.2
476.10526	0.3
477.11414	0.3
477.28375	11.6
478.28894	0.6
491.30185	2.2
501.28760	0.3
509.14346	100.0
510.14703	14.8
585.29889	0.3
603.31873	0.3
621.32495	0.9
653.34668	0.6
671.19537	6.3
672.20020	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01851	0.4
55.05507	2.2
57.03421	0.4
57.07058	1.2
57.42831	0.3
61.02911	1.9
67.01845	0.3
67.05495	3.8
68.99789	0.6
69.03422	0.8
69.07056	1.8
69.95545	1.1
69.95957	0.9
71.04971	0.5
73.02905	0.5
79.05483	1.5
81.03410	1.6
81.07047	3.5
83.08602	1.2
84.54709	0.3
85.02888	1.6
91.03932	0.7
91.05466	1.4
93.07030	2.5
93.50700	0.3
95.04950	1.2
95.08589	2.7
97.02881	1.3
97.10145	0.5
105.07022	1.1
107.04924	0.6
107.08575	1.1
109.02838	0.4
109.10130	0.9
111.00774	1.2
111.04430	0.5
117.07010	0.5
119.05019	0.3
119.08540	0.8
121.10126	0.8
123.08101	0.4
125.09599	0.4
129.06981	0.7
131.04948	0.4
131.08521	0.7
133.10078	0.7
135.11696	0.4
137.02336	0.5
137.88913	0.3
139.03864	0.7
143.08556	0.4
145.06454	0.5
145.10072	0.7
147.04410	0.4
153.01811	5.5
154.01985	0.3
159.11705	0.4
161.05962	0.8
165.01791	1.7
169.10181	0.3
171.04341	0.4
175.03885	0.5
183.02904	0.4
183.04436	0.4
185.05861	0.6
186.03148	0.4
187.03894	0.7
189.05432	0.7
197.05969	0.6
199.03886	1.9
200.04634	0.4
201.05486	0.4
201.08954	0.3
203.03383	0.8
213.05486	1.7
213.09074	0.5
215.06917	0.3
221.06020	0.3
223.07652	0.4
225.05399	0.6
227.03383	1.3
227.06931	0.6
229.04964	0.3
237.05508	0.8
239.03342	1.0
239.07083	0.8
241.04980	0.9
245.04367	0.3
250.06052	0.3
251.06970	0.3
253.04849	1.9
257.04501	0.4
259.05869	0.3
261.05429	0.4
265.04733	0.3
266.05695	0.7
267.02936	0.5
267.06509	1.4
269.04550	0.5
269.07935	0.3
271.02161	0.3
271.05933	0.4
273.14941	0.4
277.04977	2.5
278.05573	0.9
279.06531	1.2
281.04492	1.0
281.07980	0.5
283.05963	0.4
284.03052	0.4
285.03864	0.4
291.19461	0.3
293.04343	2.7
294.05243	0.7
295.05948	3.1
297.03925	1.5
297.07370	0.6
299.05353	0.6
305.04266	0.7
306.05188	16.2
307.05789	2.3
309.03735	1.4
311.05478	1.6
313.03421	0.6
313.06931	0.3
315.04739	0.3
319.06134	0.6
321.04050	0.5
322.04663	3.0
323.05460	5.4
323.09082	0.2
325.03400	1.9
325.07095	1.2
327.04974	0.7
334.04559	0.7
335.05466	0.9
337.03339	2.6
337.06982	0.4
339.05057	1.5
341.06641	1.0
347.05499	0.5
350.04108	2.1
351.04935	8.6
351.08844	0.7
351.19522	1.2
352.05490	0.8
353.06509	9.4
354.07040	0.7
357.20679	0.8
365.17361	0.6
379.08167	0.7
379.18942	1.7
381.20505	0.4
393.09659	0.4
395.11099	0.5
425.19540	1.2
435.22165	0.5
447.21616	8.5
448.21796	0.5
463.21240	4.8
481.22049	1.5
491.20578	100.0
492.20883	9.5
509.21637	13.9
510.21957	1.5
510.93289	0.3
635.39032	0.7
653.40344	0.4
671.41052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.5
55.05479	0.4
60.04486	0.3
65.03910	0.7
67.05466	0.8
69.03383	0.3
70.06553	0.4
71.78504	0.3
81.03380	0.4
83.04938	1.0
83.82154	0.2
85.02885	0.6
91.05435	0.4
93.03358	0.4
93.07014	0.3
95.04964	1.1
109.02883	0.4
111.04398	1.3
121.02853	2.6
123.04387	0.6
123.61759	0.2
123.65665	0.2
127.03844	0.5
131.04921	0.3
133.02792	0.4
135.04361	0.4
137.02260	0.6
137.05905	0.3
139.03922	1.1
139.14539	0.2
141.06912	0.4
145.02818	0.4
145.61108	0.2
151.03836	0.3
153.01758	0.3
153.06880	0.4
157.02678	0.2
161.02287	0.5
163.03853	1.1
165.06975	4.8
169.06421	0.4
175.03891	0.4
177.05479	0.3
177.06979	0.7
181.06497	0.3
183.07999	0.4
187.03844	0.8
193.06465	5.4
197.05911	0.9
205.06473	1.3
207.04434	0.2
210.06659	0.3
211.07506	1.9
213.01855	0.5
221.05940	18.0
222.06331	0.7
223.07413	0.7
225.05370	1.5
231.04597	0.5
233.05939	0.9
237.05397	0.3
239.06992	5.0
240.07124	0.3
249.05443	25.0
250.05931	1.4
251.06995	0.9
253.04903	0.5
259.03851	1.1
266.05753	0.6
267.06500	5.4
271.05969	0.6
277.04922	14.7
278.05576	1.0
279.06503	4.3
281.04449	0.6
283.06201	0.3
294.05011	0.4
295.05972	42.1
296.06281	1.7
297.03873	0.8
297.07547	0.8
305.04434	3.8
322.04489	0.4
323.05450	100.0
324.05798	3.2
341.06424	0.3
479.09988	1.1
480.77499	0.2
512.60229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40007	0.8
52.08456	0.7
55.01857	0.7
55.05486	1.9
57.03413	1.1
57.07061	1.6
61.02895	1.0
67.05478	2.0
68.05006	1.0
69.03410	3.0
69.07054	1.4
70.06577	1.4
71.04987	0.9
71.08628	3.8
71.81183	1.2
79.05473	1.2
79.53545	0.7
81.03410	1.8
81.07047	3.6
84.04493	1.3
85.02890	4.6
85.10172	1.6
86.09692	1.0
91.05450	1.3
91.75346	0.8
93.07013	1.9
95.04939	1.2
95.08596	2.2
97.02876	2.2
105.03392	1.6
105.07027	1.1
107.04917	0.7
109.02822	0.8
109.10114	0.7
121.02854	1.4
121.10085	1.0
127.03855	0.8
131.08508	0.8
138.19815	0.7
184.07251	0.7
192.17447	1.7
210.18495	16.3
219.08029	1.0
220.08775	0.7
225.09067	1.5
233.05971	1.4
235.07646	1.0
236.08337	2.2
237.09036	10.4
248.08179	1.4
249.08916	1.3
251.06950	0.8
251.10646	2.5
252.07806	1.9
253.08609	3.8
263.07104	1.7
264.07813	1.9
265.08545	36.7
266.09030	1.2
267.10107	13.9
268.10797	0.8
279.10147	3.6
280.10898	67.2
281.08081	27.7
281.11307	3.0
282.08704	2.6
283.09537	1.0
296.10376	39.5
297.10883	1.4
308.09137	3.9
311.12720	33.1
312.12860	1.2
313.06445	0.7
323.11755	0.8
327.67044	0.7
338.13797	25.6
354.16876	3.8
420.67035	0.6
445.29422	1.1
500.19080	6.3
508.30530	100.0
509.30954	3.5
516.22278	1.0
611.17059	0.8
670.25745	1.3
670.35913	14.2
670.47504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
53.03940	0.8
55.01861	1.1
55.05496	0.3
57.03419	0.7
61.82850	0.2
64.84839	0.2
65.03919	0.2
67.05485	0.5
69.03419	2.1
69.07053	0.3
70.06582	0.2
71.01318	0.2
71.04977	0.3
73.02904	0.4
77.03918	0.2
79.05476	2.5
81.03405	2.8
81.07039	0.8
83.04957	0.3
85.02891	5.4
87.00804	1.5
91.03893	0.2
91.05443	1.8
93.07024	0.5
93.43443	0.1
95.04939	1.7
95.08592	0.4
97.02872	2.1
98.21445	0.3
99.04457	0.8
103.03936	0.3
103.05457	3.1
105.01850	1.5
105.03403	0.3
105.07012	8.5
106.07336	0.2
107.04936	27.9
107.08571	0.8
108.04463	0.6
108.05273	0.6
109.02861	2.2
109.06480	0.2
109.10122	0.3
111.04440	0.4
115.05434	2.4
117.01829	0.3
117.06993	1.0
118.04175	0.2
118.77076	0.1
119.04936	0.3
119.08553	0.3
120.05698	0.7
120.08112	0.2
121.02835	0.4
121.06483	0.5
123.04417	0.6
124.05199	0.5
125.05971	0.7
126.05476	0.2
127.03893	2.7
129.01761	0.3
129.06982	0.2
131.04901	0.7
131.08531	0.4
133.06467	5.8
134.07091	0.2
135.04268	0.2
135.08031	9.9
136.08369	0.2
137.02332	0.2
137.05975	0.3
139.03851	0.5
143.05975	0.3
144.05627	0.2
145.04950	1.1
145.06544	0.3
145.07596	0.7
145.10039	0.2
147.04369	0.5
148.05048	0.2
149.05925	0.2
149.09683	0.2
151.03781	0.3
152.04710	0.3
154.06213	3.9
159.02837	0.8
159.08023	0.4
161.05956	12.3
162.06308	0.4
163.07521	17.2
164.07938	0.7
165.05400	0.4
167.07011	15.8
168.07350	0.4
175.07480	0.2
177.05434	0.2
180.07777	3.3
181.08429	0.2
187.07596	0.4
189.09116	0.2
193.08577	13.0
194.08951	0.5
195.10133	100.0
196.10480	2.9
201.09082	0.4
205.08630	0.3
207.10074	0.6
209.11841	0.2
213.03786	0.2
219.10129	0.7
221.08040	0.3
229.43092	0.2
231.04959	0.6
233.11700	0.3
235.09416	0.2
237.11238	0.9
248.07756	0.3
265.12103	0.3
301.07071	0.2
301.10388	0.2
303.12201	1.3
387.17963	0.2
407.13370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63700	0.2
67.05489	0.4
69.07020	0.3
69.47459	0.2
71.45342	0.3
79.05458	0.4
80.99861	0.2
81.03411	0.3
81.07043	0.5
91.05468	0.4
93.07027	0.6
95.04953	0.3
95.08549	0.3
172.03952	0.3
189.83585	0.2
282.34726	0.3
309.94620	0.2
327.13589	0.3
328.14429	0.3
377.17606	1.0
377.99945	0.4
378.18512	0.4
379.19177	0.8
389.17245	0.3
390.18573	0.6
391.19318	1.8
392.19937	1.0
393.20761	1.5
394.21582	0.4
405.16348	2.4
405.21054	1.1
406.17075	1.3
407.22589	5.4
408.22867	0.6
415.73453	0.3
418.17252	0.4
418.22156	0.4
419.18195	3.9
419.23428	0.5
420.18912	2.3
421.20050	4.5
422.20822	0.5
423.21683	1.0
431.18527	0.5
432.19479	0.5
433.15814	1.1
433.20755	3.8
434.21143	4.8
435.21771	9.6
436.22467	1.0
446.20963	0.4
447.18057	2.5
447.22580	1.1
448.18854	1.1
448.23694	0.4
449.19543	6.1
450.19955	0.6
451.21262	0.3
459.21814	0.9
460.22449	0.3
461.19748	1.7
462.20169	4.4
463.21063	5.6
464.21982	1.0
465.23090	0.4
475.21817	1.6
476.22083	0.5
477.22800	0.6
479.20740	0.9
481.22415	0.5
489.22852	1.5
493.21405	0.4
493.26645	0.5
494.23114	0.5
495.23709	0.5
505.22241	0.4
506.23373	0.4
507.18982	0.4
507.24753	0.4
508.21487	0.3
509.22067	0.8
517.22290	0.5
521.25677	11.1
522.21875	1.3
523.23730	0.8
528.37701	0.5
535.23346	1.0
547.26904	0.8
549.24890	26.3
550.25464	1.8
553.27808	0.3
567.22430	0.5
577.24719	0.9
580.24963	0.4
581.27600	4.6
582.28247	0.5
591.25970	0.5
609.27032	17.0
610.27155	1.7
651.25562	0.3
669.29071	100.0
670.18915	0.5
670.29443	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	669.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.05487	0.7
63.02351	0.2
67.05486	0.9
68.99783	0.4
69.03403	0.7
69.07034	0.7
70.92268	0.5
70.92662	0.4
71.04968	0.3
71.08582	0.2
73.81799	0.2
75.01466	0.2
78.04749	0.3
79.05474	0.9
81.03407	2.7
81.07043	1.4
83.04957	0.3
83.08608	0.4
85.02901	1.4
89.03896	3.0
91.05447	0.4
93.07018	0.8
95.04880	0.4
95.08595	1.2
97.02894	0.4
99.04446	0.3
100.11239	0.8
103.03881	0.3
105.06982	0.2
107.04956	0.4
107.08559	0.9
109.02862	0.9
109.10130	0.9
111.04427	0.6
111.11686	0.3
117.03364	9.1
118.34838	0.2
119.08578	0.2
121.02824	0.3
121.10110	0.4
127.03889	0.9
133.10081	0.3
134.03603	0.6
135.04407	1.2
135.11691	0.5
137.05956	0.6
137.13292	0.3
143.63046	0.2
145.02821	25.8
145.15498	0.2
146.03171	0.4
147.04384	0.3
149.05937	3.0
149.13217	0.5
150.06657	0.2
151.03883	1.4
158.06096	0.3
162.03131	0.3
163.03850	1.1
170.15370	0.9
175.03865	0.3
177.05441	76.1
178.05762	1.1
182.15358	1.1
186.01515	0.6
186.05457	1.3
187.03882	0.5
189.66687	0.2
191.07014	0.2
195.06525	0.8
198.14864	0.5
199.03809	0.4
203.03395	0.5
205.19455	0.3
209.16495	0.5
210.14885	1.2
211.13327	0.3
211.15205	0.3
215.03311	0.3
217.04938	0.4
223.20505	0.5
225.05464	0.6
227.03392	0.3
241.01315	0.3
241.21616	0.4
245.04416	3.0
255.02855	0.4
270.05142	0.4
273.03873	4.9
274.04126	0.3
288.06186	2.0
291.26459	0.3
301.03387	10.5
315.04944	0.5
316.05722	74.1
317.06018	2.4
321.09610	5.9
330.03656	0.4
331.08063	100.0
332.08386	2.5
339.10748	2.4
650.48004	0.4
668.49329	1.4
669.49304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01870	1.0
55.05505	6.8
57.03428	13.5
57.07048	0.8
59.04987	3.1
61.02914	1.3
61.72346	0.8
65.03931	1.3
66.53976	0.8
67.05492	61.7
69.03413	2.4
69.07056	3.0
69.59406	7.6
71.04983	4.2
73.02874	1.1
79.05479	8.2
81.03403	52.2
81.07035	12.1
83.04967	4.1
83.08606	15.2
85.02885	3.3
85.06516	3.1
86.09658	1.2
88.46412	0.8
91.05450	13.3
93.07037	7.4
95.04951	17.0
95.08579	6.8
96.14185	0.8
97.02876	2.6
97.06509	2.6
97.10146	2.3
105.07018	7.3
107.04926	4.7
107.08546	4.0
109.02890	1.3
109.06488	2.2
109.10136	60.1
110.10445	0.9
111.04453	1.6
111.08060	7.1
117.06990	2.4
118.46195	0.8
119.04926	1.2
119.08554	11.5
121.06486	1.9
121.10104	4.1
121.48083	0.8
123.04410	1.2
123.08029	1.9
125.09638	1.2
127.03911	1.4
129.06972	5.8
131.08560	6.2
133.06450	2.3
133.10081	2.9
135.11635	1.0
137.09570	4.2
141.06819	0.9
142.07797	1.1
145.10095	1.9
147.04419	1.4
147.08006	1.8
147.11658	5.3
149.09602	3.3
155.08607	1.2
155.10649	3.8
157.10080	6.1
163.11176	1.5
165.12698	1.1
173.11717	20.8
175.11205	7.1
193.12193	18.5
201.04340	0.9
211.13293	2.4
229.14307	89.8
230.14665	1.6
249.14851	2.5
263.95938	0.8
267.15866	77.5
267.37570	0.9
268.16354	1.9
279.37915	1.0
301.14291	1.2
314.06296	0.9
329.21027	2.5
347.22000	1.3
403.24722	9.2
421.25781	100.0
422.26163	2.9
463.26743	1.9
475.08820	0.9
547.29401	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.329
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
53.03929	0.8
55.01859	0.9
55.05507	1.5
57.03431	2.0
61.02918	4.4
67.05502	3.7
69.03415	2.3
69.07047	1.1
69.43839	3.7
69.44131	0.3
70.73300	0.3
71.01347	0.7
71.04991	0.7
73.02912	2.9
79.05483	3.8
81.03401	5.1
81.07040	2.7
83.04968	1.3
83.08620	1.2
85.02888	5.5
85.06532	0.4
87.04430	0.5
91.03951	2.2
91.05429	3.1
93.07030	4.3
95.04941	1.9
95.08585	1.3
97.02882	3.3
97.06527	1.2
97.10153	1.0
98.21485	0.5
99.04468	0.9
101.02383	1.4
103.03933	0.5
105.03379	0.4
105.07018	1.9
107.04947	0.9
107.08588	2.0
109.02872	1.1
109.06525	0.7
109.10168	0.7
111.04445	0.4
111.08099	0.6
115.03909	0.4
115.05493	0.3
116.67796	0.3
117.07035	0.5
119.08573	1.9
121.06519	0.6
121.10127	1.1
125.09604	0.4
127.03918	1.5
129.05453	0.4
129.06993	0.7
131.08562	0.6
133.10124	1.3
135.11671	3.4
135.12502	0.3
137.09656	0.4
145.10138	1.1
147.08014	0.4
147.11661	0.7
157.10062	0.8
163.11191	0.8
173.04529	0.4
175.11186	0.8
181.12202	0.9
185.04161	0.6
193.12273	1.2
203.05440	0.4
211.13298	1.1
221.11507	1.3
223.29335	0.3
243.08400	2.5
251.12509	1.0
255.15735	0.5
267.15945	0.3
282.27917	0.4
307.15164	0.7
408.07556	0.3
439.19354	7.9
448.35367	0.3
469.20471	7.8
667.32880	100.0
668.33502	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	664.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.9
57.03156	0.8
57.03424	9.6
57.07066	22.0
59.04983	3.2
61.02916	4.4
65.03923	1.0
67.05492	57.9
68.05826	0.6
69.03407	1.4
69.07063	5.2
69.37603	0.6
71.04988	2.7
71.08248	1.1
71.08621	18.4
71.23862	1.0
73.02891	1.0
79.05481	1.0
81.06592	0.8
81.07040	13.2
82.07396	0.5
83.04974	0.7
83.08611	9.4
85.02898	4.2
85.06507	1.7
85.10168	9.4
87.04427	0.7
89.06001	1.1
91.03928	2.1
91.05474	3.7
93.07004	2.3
95.08589	13.8
97.02866	2.7
97.10175	2.8
103.07568	0.8
105.07007	0.5
107.08569	1.3
109.02813	0.8
109.10136	65.5
110.10472	1.1
111.08020	2.8
111.36281	0.5
119.08533	4.9
120.88371	0.5
123.11690	2.9
127.11124	0.6
137.09578	2.2
137.13206	1.3
151.51138	0.5
155.10638	3.7
160.25681	0.6
173.00583	0.6
173.11707	20.2
184.79263	0.5
212.81656	0.5
218.51964	0.5
221.22571	0.6
229.14310	100.0
230.14664	2.0
239.23634	1.1
257.24774	1.5
313.27310	80.8
314.27676	2.8
340.75620	0.5
427.77103	0.6
467.37262	64.6
468.37570	3.3
471.92371	0.6
492.37512	0.7
498.04999	0.6
501.78333	0.6
510.36127	0.6
527.87494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
65.03954	0.5
67.05485	1.2
69.03384	0.5
69.06680	0.8
69.07057	15.9
79.05482	4.5
81.03400	0.6
81.07041	0.9
83.04973	0.4
85.02893	0.5
91.05463	14.9
95.04974	0.7
97.06514	29.5
97.46336	0.4
107.04913	0.7
109.06471	1.2
112.15156	0.3
119.04922	9.4
119.70549	0.3
120.08095	4.0
121.06477	0.6
121.08452	0.4
127.03856	0.6
131.08582	0.3
135.04396	1.0
136.05135	1.3
137.05956	100.0
138.06308	1.3
141.53110	0.3
147.04448	0.4
149.05925	1.2
149.79153	0.3
163.03915	2.3
168.60320	0.3
173.05898	0.4
189.09138	0.6
191.07066	0.5
215.10629	1.3
233.11688	80.1
234.12019	1.7
245.38486	0.4
250.14351	69.2
251.14647	1.4
287.05527	0.3
369.09073	0.4
458.11093	0.4
664.21753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12455	0.4
53.03930	0.6
57.07064	55.6
58.63194	0.4
70.91792	0.7
77.03603	0.5
77.03989	0.7
86.75497	0.4
87.04457	1.9
91.05464	7.2
93.06956	0.4
95.04965	0.9
95.08582	0.6
98.67954	0.3
105.06996	2.3
107.08573	0.6
117.06979	0.8
119.08577	1.2
127.41923	0.4
132.09351	0.7
147.11670	6.8
152.06271	1.1
153.06967	2.8
171.08069	1.0
215.02742	0.4
222.62642	0.4
229.10085	1.0
233.03571	5.8
251.04636	16.8
252.04951	0.4
307.10904	2.3
327.07739	100.0
328.08105	2.8
337.27927	0.4
342.23453	0.4
348.14224	0.4
363.17010	0.6
368.10190	0.5
383.13989	74.6
384.14441	2.0
439.20251	73.2
440.20651	3.0
474.36075	0.5
495.26508	65.9
496.26788	3.1
551.32782	91.3
552.33209	5.1
607.39008	77.9
608.39392	5.9
628.80530	0.4
648.42468	1.3
663.45264	19.8
664.45477	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89768	3.6
57.07049	6.5
71.83151	4.7
87.04451	51.5
105.06978	3.6
118.29485	3.4
145.17740	3.8
199.08220	3.0
242.84554	3.5
417.21216	6.2
431.18350	7.4
431.23422	4.6
433.24344	19.7
444.19211	11.5
445.20102	14.8
446.16901	8.0
447.17581	8.1
448.18567	4.5
459.21762	90.4
460.22644	21.9
461.23282	10.9
473.23236	4.9
475.21262	29.3
487.24915	5.1
491.24857	3.9
505.25989	5.7
519.23572	15.8
531.23938	5.4
533.21735	9.0
545.25555	7.0
546.26434	6.4
547.27063	50.5
563.26636	7.4
576.23254	3.9
593.23895	7.4
605.27820	7.7
606.28271	100.0
607.28033	13.2
622.27795	80.3
623.27502	4.6
662.29565	16.0
662.44336	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	662.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01852	2.4
55.05500	11.7
57.03429	15.5
61.02919	4.0
65.03915	1.1
67.05125	1.5
67.05492	34.4
69.03416	3.0
69.07056	10.3
70.54592	2.6
71.01331	2.7
71.04975	4.5
79.05479	35.4
80.05795	0.8
81.03405	49.8
81.07045	23.8
81.07526	1.1
82.03716	0.9
83.04492	1.1
83.04961	15.2
83.08604	17.9
85.02895	15.2
85.06512	4.1
91.03970	1.4
91.05467	27.8
93.07027	39.2
95.04953	19.8
95.08598	7.7
97.02852	3.9
97.06502	8.8
97.10151	10.0
99.08081	1.8
105.07010	15.4
107.04942	6.4
107.08577	24.9
108.08928	0.7
109.06495	4.8
109.10139	4.5
111.04437	1.8
111.08064	7.1
113.05987	1.7
115.05449	1.0
117.06975	4.1
119.08546	13.8
121.06487	2.1
121.10117	9.9
123.08042	1.3
123.11688	1.2
125.09630	1.6
129.06999	8.1
131.08545	8.0
133.06459	2.1
133.10107	9.9
134.58006	0.7
135.11667	32.7
137.09564	2.0
142.07751	2.0
145.10101	6.3
147.08015	1.4
147.11662	10.8
149.09630	5.4
153.12776	0.7
157.10110	9.7
163.11124	5.4
165.12729	2.4
170.46777	0.6
175.11145	10.5
176.56215	0.7
181.12204	6.7
184.07304	2.2
193.12213	27.9
194.12498	0.9
199.13126	1.0
211.13260	43.8
212.13660	1.7
249.14894	1.2
255.15875	70.7
256.16202	2.8
267.15863	25.6
268.16180	1.0
285.16891	27.8
286.17123	1.1
327.05045	1.9
328.05203	0.8
348.80435	0.8
379.23978	0.8
421.25842	2.3
427.08844	0.7
429.25983	0.9
447.27338	73.1
448.27533	5.2
456.72693	0.8
465.28409	100.0
466.28766	7.4
482.19366	1.1
488.34937	0.8
538.83795	0.8
609.32758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.3
55.05456	1.0
56.04981	0.9
57.03393	0.3
57.07064	2.9
58.39102	0.2
59.64888	0.2
62.28416	0.2
65.03932	1.2
67.05492	4.6
68.05014	3.0
69.07066	1.2
70.02893	0.3
71.04939	0.3
71.08617	4.9
71.79079	0.2
79.05479	1.2
81.03361	0.5
81.07044	4.4
83.04913	1.0
83.05359	0.2
83.08560	0.2
84.04488	11.5
85.02882	3.6
85.10172	2.3
86.09654	0.6
91.05470	1.4
93.03338	0.7
93.06977	0.9
95.04949	2.7
95.08587	3.9
97.02892	0.2
97.06468	0.4
97.10107	0.3
98.02357	0.7
98.40968	0.2
98.61755	0.2
102.05519	3.9
103.05400	0.4
105.03363	0.3
105.06956	0.8
107.04886	0.8
107.08534	0.7
109.10082	0.4
111.04419	1.2
112.03878	0.8
114.05504	1.4
115.05375	1.0
119.04845	0.3
119.08524	0.4
121.02853	1.5
121.06441	0.4
121.10076	0.2
123.04347	0.2
124.99937	0.5
130.04970	3.1
131.04893	1.5
133.06406	0.7
133.10109	0.3
135.04391	0.3
135.11627	0.6
137.97060	0.2
139.03873	1.1
140.03355	0.9
143.04849	0.8
145.10001	0.3
147.03482	0.2
147.04387	2.7
148.06012	5.3
149.05977	1.3
153.06952	0.4
155.14233	1.0
158.04431	0.8
159.04279	0.5
161.05956	6.9
162.05379	1.4
163.03801	0.4
169.06467	1.5
173.05913	0.9
174.05434	0.4
175.03883	3.9
175.06194	1.8
175.11087	0.3
176.04491	0.3
176.07019	2.0
177.05434	14.1
178.05882	0.3
179.04773	0.2
181.06421	1.1
184.07289	2.3
185.06012	0.3
186.05447	1.3
187.03801	10.2
187.07434	0.5
188.06927	0.3
189.05449	1.4
196.07544	1.0
197.05928	4.1
198.18576	0.3
199.03706	0.2
199.07515	0.9
200.07047	1.3
201.05408	0.9
202.04941	3.2
202.08533	0.3
203.03360	11.6
203.05647	1.9
204.06522	5.5
205.04912	2.3
207.04327	0.9
211.07594	0.3
212.06909	0.4
213.05367	0.8
214.04868	0.5
214.08542	0.9
215.03441	0.6
215.05679	13.2
216.06287	0.9
220.05991	0.3
221.04819	0.3
221.06772	3.0
224.06979	1.8
225.05426	11.8
226.05904	0.5
227.03352	0.5
227.06944	1.5
228.06433	0.7
229.07173	0.5
235.03732	0.4
242.08058	8.2
243.06415	0.7
244.09581	0.5
246.07532	0.7
252.06540	2.5
253.04915	11.1
254.05185	0.4
255.06447	1.1
255.15804	0.7
260.09119	0.5
267.15933	0.5
270.07559	23.5
271.05759	2.5
271.08481	0.4
274.06985	0.3
281.04327	1.5
288.08591	9.9
289.08868	0.4
289.17935	7.0
292.08170	0.8
297.07584	0.3
298.07025	0.8
299.05426	4.8
306.09647	0.5
311.18396	1.2
312.19513	0.6
315.08502	0.3
315.19525	1.7
316.08105	9.7
316.18881	1.2
334.09140	100.0
335.09503	3.6
341.17371	1.8
343.08060	0.2
359.18463	0.3
377.11008	1.1
446.21381	1.4
447.27344	0.9
462.13638	0.5
464.26419	0.6
465.28159	1.5
470.21951	0.3
481.35641	0.2
488.22571	0.5
490.13400	1.4
506.23700	2.3
508.14499	1.5
531.24554	0.6
616.27148	0.5
644.26953	0.7
662.27924	16.6
663.28534	1.9
680.50452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2477
Annotation	Leptolepisol C 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01845	0.5
55.05503	1.7
55.16706	0.3
57.03405	0.7
57.06818	0.4
57.07066	3.9
61.02642	0.4
61.02913	3.9
61.67805	0.3
67.01845	0.8
67.05492	2.0
68.99775	2.6
69.03399	0.9
69.07055	3.4
70.38380	1.4
71.08623	3.6
73.02893	1.5
79.05470	0.8
81.03421	0.4
81.07047	3.6
83.01337	0.4
83.08599	1.1
83.98550	0.3
85.02890	3.2
85.10158	1.2
87.04444	0.3
91.03944	1.7
91.05423	0.3
93.07010	0.6
95.08601	2.4
97.02863	2.2
97.10107	0.3
99.04440	0.6
105.07024	0.3
108.21062	0.3
111.00783	3.1
115.05432	0.3
123.04364	0.8
127.03867	0.6
131.04852	0.5
135.11755	0.4
137.02289	0.5
139.03918	0.8
143.04868	0.7
145.04883	0.4
147.04407	1.8
153.01796	54.5
153.12650	0.5
154.02127	0.6
157.06468	0.4
159.04356	0.5
161.05972	2.4
163.03853	1.2
165.01840	1.7
169.06445	0.3
171.02835	0.4
173.02203	0.4
173.05936	2.0
175.03854	1.2
176.04634	0.5
177.05453	0.8
179.03415	0.6
183.04346	0.6
185.05986	1.0
187.03798	1.9
187.07506	0.5
189.05424	9.8
191.03377	1.0
195.02858	1.1
195.08063	0.4
197.05911	1.8
199.07507	1.0
201.05370	1.6
203.03349	1.2
205.04903	0.3
207.02826	0.5
209.06122	0.3
211.03860	0.7
211.07483	0.9
213.05409	1.4
215.03403	3.3
215.07034	0.9
217.04874	1.8
219.02896	1.8
225.05464	1.4
227.06987	1.4
229.04855	2.4
231.02768	0.5
237.05479	0.6
238.06316	0.4
239.03384	1.2
239.06950	1.0
241.04916	1.2
242.05650	0.4
243.02895	3.1
243.06491	1.3
252.04115	0.6
253.04924	6.1
255.06590	0.9
257.04410	3.7
259.05957	0.4
263.07126	0.3
265.04904	0.9
267.06485	0.9
269.04446	0.7
271.05997	1.9
281.04398	6.4
281.07574	0.5
282.05200	0.8
283.06039	0.7
285.03949	3.7
287.16382	1.4
288.17194	2.2
293.04395	0.7
295.06030	1.9
297.03900	2.5
298.04642	4.9
299.05414	7.0
299.16470	0.7
301.18082	0.5
305.04422	0.4
309.03903	2.0
309.07471	0.6
310.04782	1.6
311.05432	22.3
311.16141	0.8
313.03513	2.1
313.06961	0.5
315.04959	0.5
319.05978	1.1
321.07382	0.4
322.04651	0.5
323.05423	5.5
325.07001	0.8
326.04114	1.0
327.04932	69.6
327.15509	2.4
328.05350	1.6
329.17413	0.9
335.05438	0.6
337.03580	0.7
337.07047	1.0
337.14371	1.4
339.04883	2.6
340.05746	0.6
341.06409	2.5
345.05927	2.2
347.05490	1.1
349.07019	0.6
351.04834	1.0
353.06503	0.6
355.15332	2.4
361.07007	0.8
365.06549	2.9
369.06125	0.8
379.08038	0.4
425.19571	0.6
435.17941	2.6
442.03033	0.3
443.97873	0.3
445.16318	0.5
453.18997	14.3
454.19370	0.4
463.17465	9.0
481.18503	100.0
482.18881	3.2
499.19617	0.8
523.19513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.9
55.05497	2.7
57.07063	5.6
61.02913	4.4
67.05486	2.5
68.99752	1.5
69.03395	0.8
69.07063	4.0
71.08611	4.9
71.23688	1.5
71.36285	0.6
73.02877	1.4
76.84067	0.5
79.05432	0.8
81.06680	0.5
81.07034	5.1
83.08558	1.5
85.02892	4.3
85.10149	2.7
91.03933	2.6
93.07006	0.6
95.08583	3.6
97.02822	2.4
97.06467	0.6
111.00776	4.4
127.03870	1.4
135.11700	0.7
139.03873	1.0
143.04808	0.6
145.04912	0.7
147.04346	1.7
153.01796	33.7
153.12465	0.6
154.02071	1.0
155.14287	0.7
157.02759	0.9
159.04407	0.7
161.05966	1.1
163.03868	2.2
165.01746	0.9
167.19040	0.5
169.06393	1.0
173.02304	1.1
173.05899	1.0
175.03844	1.5
181.06430	0.6
183.04338	1.4
187.03845	2.1
189.05383	2.0
191.03296	1.3
192.45903	0.6
197.05954	1.3
199.03787	0.8
201.05440	1.0
203.03419	1.9
213.05386	1.0
215.03287	2.6
217.04915	2.1
219.02864	1.5
225.05386	1.9
226.05840	0.6
229.04887	1.9
230.05653	0.7
231.02754	0.6
237.05487	2.8
239.03329	0.7
239.06955	0.7
241.04958	1.0
242.05655	0.8
243.02808	3.8
253.04951	11.1
254.05418	0.7
257.04440	1.1
265.04910	5.0
267.06512	0.9
269.04398	1.4
271.05972	1.1
273.80243	0.6
281.04388	39.5
282.04874	2.5
285.03915	7.0
287.16479	2.2
288.17178	1.3
293.04407	1.9
294.05215	1.1
295.05899	1.6
297.03891	7.3
297.06976	1.0
298.04623	7.1
299.05469	8.0
299.16214	0.6
307.01764	0.5
309.03903	13.0
309.07281	0.5
310.04443	0.7
311.05435	36.7
312.05707	1.7
313.03467	2.5
323.05377	3.9
327.04926	100.0
327.15652	5.5
328.05292	4.3
329.17383	1.0
335.05167	0.7
337.03268	0.9
337.06888	0.6
337.14029	0.7
339.04816	1.0
341.06622	1.0
345.05957	12.2
346.05750	0.6
355.15402	2.0
365.05972	0.7
369.05756	0.6
393.09586	0.5
407.18341	0.7
434.95108	0.6
435.17847	4.6
453.19000	13.7
454.19260	1.1
463.17450	7.5
464.17807	0.7
481.18488	96.9
482.18808	6.8
499.19763	1.9
569.20593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09196	0.5
53.03904	0.8
55.05469	2.4
57.07063	5.8
61.02923	4.2
67.05489	3.2
68.99771	1.1
69.03408	0.7
69.07018	1.8
71.08618	6.2
71.25550	0.9
71.25900	1.0
73.02873	1.4
79.05435	1.0
81.07049	5.1
83.08561	0.7
84.09726	0.5
85.02881	3.9
85.10180	3.3
91.03890	1.5
95.08596	5.5
97.02848	1.8
109.02796	0.6
111.00777	2.6
139.03780	0.7
145.04747	0.6
147.04366	1.7
153.01797	19.0
155.14215	1.6
161.02264	1.5
161.06055	0.7
163.03831	1.7
165.01801	1.6
173.02341	1.1
175.03865	0.9
177.05478	0.5
183.04359	0.7
184.07166	0.7
187.03870	1.3
189.05426	0.8
197.05968	1.2
201.05447	0.6
203.03433	1.2
215.03333	2.0
217.04866	0.9
219.02843	1.4
229.04922	1.2
237.05431	1.2
241.04886	0.6
242.05664	0.7
243.02829	1.8
243.06375	0.7
252.03998	0.6
253.04915	7.5
265.04770	1.4
269.04501	1.5
270.05176	1.1
271.06006	1.2
281.04388	18.2
282.04819	0.7
285.03922	3.5
295.05960	1.1
297.03821	2.6
298.04660	10.5
299.05466	10.0
309.03860	5.9
311.05450	9.2
313.03516	2.5
313.06653	0.7
315.05011	0.9
323.05408	1.4
326.04398	0.7
327.04932	100.0
328.05310	1.9
337.07028	0.6
339.05090	0.8
343.04398	1.0
345.05988	6.3
351.04761	0.6
355.15329	0.7
369.05991	1.6
390.93326	0.7
424.51355	0.6
453.18930	5.7
463.17560	4.2
481.18506	78.3
482.18759	2.3
499.19595	11.3
523.19958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2477
Annotation	Leptolepisol C 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05469	1.7
57.03390	0.6
57.07064	5.8
61.02916	4.8
65.92175	0.4
67.05498	3.3
68.99747	1.3
69.03404	0.9
69.07054	2.8
71.08618	6.6
71.35370	0.6
71.35696	0.7
73.02864	1.4
73.84129	0.4
78.16745	0.4
79.05456	0.5
81.07053	4.9
85.02896	3.1
85.10164	3.2
91.03892	1.9
95.08594	5.3
97.02824	1.9
111.00779	2.7
123.04372	0.4
127.03878	1.0
137.02264	1.0
139.03854	0.6
147.04341	1.6
153.01799	18.4
155.14326	2.1
157.02803	0.4
161.02335	1.0
161.05893	0.5
163.03795	1.0
165.01761	1.3
171.33662	0.4
173.02263	1.5
173.06015	0.5
175.03865	1.2
183.04352	0.5
185.05815	0.8
187.03870	1.5
189.05385	1.3
191.03354	0.8
197.05898	0.6
199.03860	0.5
201.05383	0.8
203.03328	1.7
213.05396	0.5
215.03346	1.1
217.04871	1.0
219.02882	0.7
225.05428	0.7
229.04898	1.3
237.05319	1.2
241.04799	0.6
242.05632	0.7
243.02832	2.0
243.06456	0.7
252.04042	0.7
253.04909	6.4
257.04422	0.7
265.05020	2.0
267.06326	0.5
269.04413	1.3
270.05090	1.1
271.05988	1.7
280.03537	0.6
281.04398	18.1
282.04910	0.5
285.03864	3.8
294.05267	0.5
295.05853	0.6
297.03848	1.8
298.04654	10.6
299.05466	9.3
299.16135	0.5
309.03958	5.3
310.04611	0.6
311.05524	8.0
313.03381	1.7
315.04761	1.1
323.05478	1.6
326.04050	0.7
327.04938	100.0
328.05173	3.5
339.04834	1.0
343.04398	0.9
345.05963	6.0
351.04831	0.6
369.05936	1.0
435.18292	0.5
453.18997	6.6
463.17496	3.4
481.18521	73.1
482.18857	3.4
499.19595	11.3
500.19818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.1
55.01862	3.6
55.05503	9.6
57.03426	12.7
57.07040	1.6
59.04964	1.5
61.02918	3.2
65.03912	0.7
67.05492	21.8
69.03398	1.2
69.07056	6.6
69.71606	2.0
69.72034	1.6
70.74281	0.4
71.01331	2.4
71.04993	3.7
71.08619	0.5
73.02891	0.7
76.37775	0.4
79.05479	24.0
81.03402	7.3
81.07039	16.1
83.01329	4.3
83.04966	8.0
83.08166	0.4
83.08602	6.2
85.02886	4.2
85.06525	2.0
86.09672	0.6
91.03922	0.7
91.04926	0.6
91.05465	11.1
93.07027	33.1
94.07347	0.5
95.04946	5.3
95.08587	6.3
97.02896	2.5
97.05926	0.6
97.06513	7.8
97.10154	6.6
99.04406	1.7
99.08063	1.0
105.07027	4.6
107.04943	5.0
107.08572	21.5
108.08919	0.4
109.02809	0.5
109.06498	3.1
109.10122	3.1
111.04404	1.7
111.08033	1.4
115.05375	0.4
117.06989	5.7
119.08557	6.4
121.06461	2.6
121.10128	7.7
123.08061	4.4
125.05916	0.7
125.09549	1.0
129.05403	0.6
129.06943	0.6
130.07718	1.1
131.08498	1.6
133.10114	2.5
135.08003	1.3
135.11668	32.9
136.12019	0.9
137.09563	1.3
139.07477	0.7
143.08574	0.6
145.06395	0.4
145.10092	12.0
147.07993	1.1
149.09468	0.5
151.11201	0.5
153.01799	1.3
153.12720	2.8
155.08530	0.4
163.11157	16.3
173.09541	1.6
181.12195	7.0
184.07266	1.6
191.10632	1.7
199.13190	0.8
209.11671	3.0
224.53780	0.4
226.47900	0.4
227.12709	2.2
255.15872	55.4
256.16238	2.0
265.14307	1.1
281.04385	0.6
283.15353	38.2
284.15701	1.1
311.05591	0.7
327.05029	2.9
329.17081	0.4
343.04370	1.8
344.04681	0.6
419.96344	0.5
445.25812	3.9
463.26822	100.0
464.27216	5.3
481.18518	2.5
497.17694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
56.01373	0.6
56.05019	1.9
60.04493	1.1
65.03889	0.3
70.02939	24.7
71.06093	0.8
71.78169	0.4
72.04497	1.1
74.00644	0.3
74.02107	0.3
74.02431	3.6
76.03986	8.6
82.06544	1.4
83.04958	0.7
83.06097	1.9
84.03983	0.5
84.04484	6.6
85.02888	0.6
88.03976	3.0
91.39894	0.3
95.04934	0.7
96.04477	0.7
99.05552	7.0
100.03914	0.5
102.05535	0.4
103.05032	1.0
107.06060	0.7
108.04446	0.8
109.07626	2.2
110.05987	1.0
111.04440	0.7
112.03896	0.8
115.60169	0.3
116.03428	3.5
117.06571	1.9
121.01044	1.5
123.04461	0.3
124.03923	0.9
125.07067	1.2
126.05473	0.9
127.05007	1.7
129.06561	2.9
130.04974	5.7
131.04921	0.4
135.05519	0.5
136.03894	1.2
137.07060	1.9
139.08669	0.5
145.06050	100.0
146.06381	1.3
149.00529	4.6
153.06560	6.9
155.08116	2.8
156.06541	0.3
159.85426	0.3
160.00560	1.6
161.00618	0.4
162.82600	0.4
163.02208	0.8
163.03885	1.6
165.00055	1.1
165.06628	0.7
167.01614	0.8
169.06053	1.4
171.07622	0.7
175.06241	0.3
177.57671	0.3
179.01578	8.4
181.06084	2.1
183.07616	0.6
187.05237	0.7
189.00027	1.0
191.01561	1.0
192.99507	1.3
193.03192	2.0
193.06061	0.6
194.02670	6.4
195.01074	15.8
195.78822	0.3
196.01491	0.4
199.07092	9.0
200.99957	0.6
207.01082	6.3
208.04152	2.3
209.02612	0.6
211.07100	12.1
218.02669	0.6
219.01067	3.6
231.04346	0.7
236.03728	7.4
236.05965	0.6
237.02130	1.2
256.09256	0.8
257.07739	0.6
264.03204	23.2
265.03751	0.6
266.95752	0.3
274.10294	8.6
275.10736	0.4
297.05273	2.0
322.03851	1.2
339.06390	3.8
347.06985	1.3
348.05313	0.7
365.07907	2.1
366.79874	0.3
369.06393	0.7
393.07449	14.8
394.07663	0.8
405.07559	2.4
411.08325	0.7
423.08536	1.9
428.09988	0.6
450.09680	0.3
468.10632	7.9
497.56744	0.3
513.11688	3.2
531.12622	3.1
567.12616	1.3
585.13776	5.4
642.15765	4.3
660.16876	11.2
661.17120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
55.10880	0.2
56.01379	0.6
56.05034	1.9
60.04517	1.4
67.05468	0.3
67.68767	0.2
68.05021	0.3
69.04506	0.4
69.44368	0.9
69.44800	1.5
70.02943	24.8
71.03287	0.3
71.06089	0.5
72.04491	0.8
74.00651	0.4
74.02039	0.3
74.02425	3.3
75.71179	0.2
76.03995	8.4
76.51096	0.2
80.04996	0.6
81.04517	0.3
82.06565	1.5
83.04958	0.6
83.06109	1.3
84.04491	5.1
85.02866	0.6
85.04037	0.3
88.03975	3.1
96.04459	0.7
98.06045	0.2
99.05565	7.1
100.03960	0.4
102.05500	0.3
103.05032	0.8
107.06061	1.0
108.04456	1.0
109.07623	2.1
110.06002	1.4
111.04427	0.4
112.03923	0.7
116.03437	4.2
117.06590	1.6
121.01048	1.2
123.04384	0.4
123.05576	0.3
124.03931	1.0
124.07616	0.5
125.07108	1.6
126.05480	0.8
127.05017	1.5
128.03355	0.3
129.05695	0.3
129.06564	2.0
130.04987	4.6
131.04836	0.3
133.02875	0.2
135.05489	0.8
136.03925	1.1
137.07059	1.4
139.08678	0.3
141.04779	0.2
141.38103	0.2
145.06058	100.0
146.06474	1.5
147.02524	0.3
147.04401	0.8
149.00542	3.4
153.06569	5.1
155.08127	2.4
160.00612	1.0
161.00589	0.3
162.03699	0.3
163.02132	0.8
163.03880	1.0
164.04208	0.3
164.99982	1.2
165.06584	0.7
167.01598	0.6
168.05240	0.3
169.06091	1.6
171.07605	0.8
173.00554	0.3
175.02130	0.4
177.03252	0.3
179.01582	9.0
181.03258	0.3
181.06055	2.0
183.07668	0.7
186.06395	0.3
187.05324	0.6
189.00032	0.9
191.01555	1.3
192.99518	1.6
193.03238	1.6
193.06030	0.5
194.02682	6.5
195.01088	14.9
196.01456	0.4
199.07104	8.9
201.00009	0.8
203.03354	0.3
207.01073	6.6
208.04233	2.3
209.02693	0.4
209.05568	0.3
211.07114	11.9
212.07378	0.3
218.02692	0.7
219.01074	3.8
231.04428	0.3
236.03719	6.2
237.02165	0.7
238.17622	0.2
256.09250	0.9
257.04437	0.3
257.07700	0.6
264.03220	21.6
265.03586	0.9
274.05734	0.3
274.10294	8.6
275.10657	0.3
283.67340	0.2
295.86267	0.2
297.05280	1.4
299.05606	0.3
311.90549	0.2
321.05399	0.4
322.03702	1.1
339.06384	3.3
347.07007	1.0
348.05325	0.8
365.07959	2.0
369.06488	0.4
393.07462	15.9
394.07886	0.8
405.07431	2.2
409.09177	0.4
411.08215	0.3
423.08621	1.4
428.10147	1.2
450.09592	0.6
451.08728	0.3
468.10672	7.7
468.17090	0.4
469.11285	0.3
513.11713	1.6
531.12885	3.8
567.12769	0.6
585.13782	5.9
586.14087	0.6
622.53265	0.2
642.15900	1.9
643.15948	0.3
660.17023	8.2
661.17145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.3
56.01382	0.3
56.05025	1.4
57.04524	0.3
60.04510	1.4
61.51682	0.3
62.39098	0.3
65.03922	0.4
67.05494	0.4
69.03405	0.4
69.04534	0.2
69.44639	3.1
70.02941	24.8
70.06548	0.3
71.06086	0.8
72.04475	1.0
74.00658	0.5
74.02428	3.1
76.03989	7.8
80.04984	0.5
81.04494	0.4
82.05289	0.4
82.06574	1.4
83.04964	1.7
83.06100	2.4
83.25168	0.3
84.04494	7.3
85.02887	0.4
85.04002	0.5
85.41380	0.3
88.03574	0.3
88.03987	3.0
91.85062	0.3
92.80796	0.3
93.03345	0.3
95.04959	0.5
96.04469	0.8
99.05557	7.8
99.06168	0.6
100.03962	0.5
102.05515	0.4
103.05058	1.1
107.06050	0.8
108.04450	0.9
109.07613	2.8
110.06033	1.4
111.04413	1.2
112.03943	0.6
116.03425	4.3
117.06594	1.3
121.01060	1.4
123.04405	0.4
123.05504	0.3
124.03928	0.8
125.07095	1.9
126.05479	0.6
127.04989	1.6
129.06570	2.9
130.04980	6.2
131.04991	0.4
135.05524	1.3
136.03902	1.1
137.07065	1.9
139.03917	0.4
139.08527	0.4
140.01561	0.3
145.06058	100.0
146.06435	1.7
147.04401	1.3
149.00548	5.4
153.06567	6.2
154.04962	0.3
155.08121	3.7
160.00609	2.2
161.00546	0.5
163.02107	2.3
163.03838	0.9
165.00037	1.5
165.06589	1.1
167.01622	0.7
169.06102	1.4
171.07626	0.5
175.02184	0.3
177.03290	0.3
179.01593	9.3
180.01881	0.3
181.03142	0.5
181.06055	2.2
183.07646	1.0
185.03662	0.4
187.05305	1.0
189.00012	1.3
189.05409	0.3
191.01486	1.3
192.99527	2.1
193.03230	2.0
193.06081	0.7
194.02687	7.4
195.01091	20.6
196.01433	0.8
199.07108	9.7
200.07825	0.5
201.00142	0.7
203.03355	0.3
207.01086	8.9
208.04247	2.9
209.02675	1.2
209.05586	0.5
211.07117	13.1
218.02516	0.6
219.01051	3.5
231.04320	0.8
232.05060	0.3
236.03740	6.7
237.02084	1.8
256.09280	0.9
257.04755	0.4
257.07675	1.0
264.03220	31.4
265.03641	1.0
265.94516	0.3
274.10266	8.2
297.05328	2.1
320.05911	0.5
322.03842	1.4
339.06433	4.5
347.06976	1.0
348.05334	0.5
365.08017	1.7
379.16150	0.3
393.07449	11.8
394.07880	0.8
396.47409	0.3
405.07449	2.3
409.09021	0.4
411.08456	0.6
423.08475	1.4
428.10013	1.7
450.09457	0.4
451.08447	0.4
468.10663	6.7
469.10974	0.4
472.91217	0.3
513.11395	0.4
531.12738	8.0
532.12573	0.3
567.12988	0.6
585.13733	9.4
586.13989	0.8
642.15692	0.9
643.15204	0.3
660.16913	24.2
661.17450	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
53.82575	1.8
55.01861	20.6
55.05501	51.8
57.03424	19.5
57.07066	22.4
58.71103	1.7
59.90898	1.6
62.83414	1.7
65.03910	3.8
66.63671	1.9
67.05494	66.0
69.03407	3.0
69.06670	4.0
69.07053	66.4
71.04990	3.5
71.08617	14.7
71.81999	2.2
71.82415	3.3
73.02905	6.7
79.02528	1.6
79.05479	45.4
81.03393	13.8
81.07039	89.7
82.07365	3.9
83.04975	10.8
83.08604	50.8
85.06530	4.4
85.10169	5.3
87.26208	1.7
87.47415	2.0
89.06022	4.1
91.05463	30.4
93.07027	57.6
95.04942	16.1
95.08588	34.6
97.06512	16.9
97.10146	26.6
98.98446	100.0
99.08073	3.5
103.83993	1.8
105.07014	20.3
107.04960	4.4
107.08569	27.6
109.06499	5.2
109.10139	14.7
111.08058	8.5
111.11732	5.0
116.99507	2.7
117.07004	9.3
119.08559	11.8
121.06439	4.6
121.10111	20.6
123.08059	3.6
123.11695	6.7
125.09688	1.8
129.06998	2.0
131.08540	15.7
133.10114	9.9
135.08063	4.9
135.11667	14.9
136.99995	5.3
137.13225	2.3
145.10097	7.1
147.11691	11.2
149.13225	27.8
151.11169	2.4
155.01019	73.3
155.08549	1.8
159.11661	22.6
173.02069	4.0
177.12717	35.2
185.13071	2.7
188.07114	2.6
195.13780	15.3
213.14682	2.8
229.14290	3.1
233.15341	6.3
237.22058	16.0
251.16377	58.3
269.17389	38.2
311.25748	53.5
313.27338	8.3
314.27646	5.6
331.12881	3.5
349.14072	25.8
360.32556	3.6
361.32901	2.5
387.15512	4.1
391.22455	2.0
405.16653	19.8
409.96613	1.9
413.55124	2.2
423.17776	17.2
447.25150	4.5
457.27942	1.9
460.37604	7.2
461.38333	9.6
487.37997	14.1
505.38818	44.8
507.39725	2.2
508.40469	4.5
561.41565	3.2
588.46741	3.0
641.37714	3.1
659.38934	19.7
659.51465	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	659.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.4
55.01844	3.6
55.05498	14.0
57.03430	23.2
57.07052	4.4
61.02913	73.3
65.03933	4.1
66.04639	2.1
67.05493	53.2
69.03415	36.0
69.07056	14.7
71.01331	4.6
71.04973	7.1
71.08611	7.1
71.78658	4.3
71.79044	2.3
73.02519	2.3
73.02899	31.1
79.05479	38.6
81.03407	26.9
81.06590	3.8
81.07040	48.7
82.06519	2.2
83.01325	2.4
83.04947	6.4
83.06052	2.0
83.08596	7.6
85.02888	100.0
85.06519	2.8
87.04452	3.9
88.07583	3.2
91.03937	60.6
91.05454	24.5
93.06481	3.9
93.07024	40.7
95.01383	2.3
95.04954	11.4
95.08583	35.5
97.02871	76.2
97.06501	5.8
97.10117	4.5
98.95650	2.4
99.04452	14.6
99.08073	2.6
101.02357	8.3
103.03923	6.6
105.07008	17.9
107.04919	5.7
107.08577	25.6
109.02866	16.1
109.06486	5.4
109.10142	15.4
111.04428	6.1
111.08035	3.4
113.05969	4.7
115.03892	6.4
117.05480	3.1
117.06997	7.5
119.08543	14.8
121.10111	22.3
123.08009	2.3
123.11683	5.9
125.09587	2.6
127.03893	33.0
129.05450	6.5
129.06953	5.2
131.08525	15.1
133.10056	12.4
135.07965	2.4
135.11673	15.9
143.08530	3.3
145.04930	28.5
145.10071	8.8
146.08075	8.3
147.11659	8.9
149.02283	3.0
149.13249	5.1
151.11052	3.3
155.08588	2.6
157.10080	4.1
159.11655	6.6
161.13226	6.1
163.05963	6.9
163.14780	2.9
173.13223	6.9
175.14755	3.0
179.14328	7.7
183.06532	3.8
185.13237	3.2
187.14847	2.4
193.04921	5.5
193.12221	3.3
201.07503	5.4
243.21097	4.8
256.26224	4.2
257.26593	3.0
259.20432	3.5
261.22037	15.5
268.28506	2.1
277.21558	8.6
295.22620	2.5
303.23062	2.6
335.25732	79.4
336.26147	4.2
369.24271	2.9
430.11917	2.8
443.27487	2.9
461.28931	4.5
479.29865	9.5
497.31076	3.8
543.36798	6.2
561.37823	21.3
659.35913	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	659.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.4
53.03941	1.8
55.01861	0.5
55.05499	1.7
57.03426	0.9
57.07066	0.9
61.02917	0.4
65.03928	0.7
67.05487	1.6
67.18040	0.3
69.03417	7.4
69.07031	1.5
69.91305	0.3
70.70612	0.7
70.70976	0.7
71.05006	1.5
71.05322	0.3
73.02909	2.3
79.05487	4.3
81.03407	7.3
81.07047	5.1
82.40595	0.3
83.04977	2.4
83.08593	0.7
85.02892	11.8
87.04456	0.6
91.05453	4.5
93.07027	2.5
93.07539	0.4
95.04965	1.3
95.08588	1.4
97.02875	6.4
97.06509	0.4
99.04441	11.9
100.04816	0.4
103.03922	7.0
103.05425	0.5
105.07021	5.6
105.07730	0.6
107.04939	3.3
107.08575	17.6
108.08808	0.3
109.02863	14.2
109.06485	3.9
109.10145	4.8
111.04456	0.5
115.03883	0.5
115.05451	1.4
117.07016	1.7
118.07812	0.5
119.06001	0.4
119.08567	2.3
121.02879	0.8
121.06496	1.2
121.10130	10.5
122.07272	3.6
122.10468	0.5
123.08057	1.2
123.11665	0.4
125.02318	0.4
127.03896	34.2
128.04248	0.4
131.08591	1.7
133.10107	100.0
134.10445	3.6
135.04411	0.4
135.08035	8.6
135.11670	1.2
137.09595	53.1
138.09953	1.7
143.08566	0.7
145.04938	9.0
145.10120	1.0
147.11673	1.3
149.09666	0.9
149.13232	10.3
150.13565	0.3
151.11176	0.4
157.04970	0.6
158.10893	1.1
163.05969	1.8
163.07269	0.4
163.14764	1.8
169.04993	1.1
173.13225	5.5
185.47978	0.3
187.06001	4.3
191.14281	57.4
192.14632	2.2
205.07054	1.4
209.08076	0.8
209.15347	10.5
210.15736	0.5
211.05997	0.7
229.07115	0.9
235.05984	1.0
247.08273	0.3
253.07050	3.0
271.08063	6.5
289.09113	4.3
307.10193	1.1
313.09079	0.4
349.11133	0.5
379.10248	0.6
397.11072	1.3
415.12332	3.8
433.13318	2.6
451.14279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.6
55.01852	7.8
55.05263	2.0
55.05502	26.8
57.03191	1.4
57.03426	14.4
59.97591	1.3
65.03940	3.5
67.05491	30.1
69.03417	16.6
69.07047	10.3
71.04995	7.5
71.70110	1.3
71.75854	3.0
73.02891	2.2
79.05479	34.3
81.03404	100.0
81.06587	2.7
81.07039	35.4
82.03725	1.5
83.04965	32.2
83.08601	29.1
85.02888	26.7
85.06519	3.2
91.05465	38.1
92.05791	1.7
93.07027	22.7
95.04949	36.0
95.08577	14.4
97.02875	18.1
97.06506	6.0
97.10138	7.9
99.04426	4.3
105.07021	28.6
107.04955	9.6
107.08564	14.9
108.80785	1.5
109.02853	11.8
109.06507	5.8
109.10116	4.9
111.04410	13.8
111.08064	14.8
113.05975	2.2
115.05405	2.8
117.06997	4.8
119.08550	25.4
121.06458	5.8
121.10123	14.9
123.08039	2.9
123.11697	2.5
125.09622	8.1
127.03891	7.2
128.06247	1.5
129.05443	4.4
129.06981	15.6
131.08548	15.7
133.06450	5.6
133.10118	15.0
135.08015	1.7
135.11650	2.7
137.09576	2.8
141.06934	2.6
142.07755	3.8
145.10094	5.3
147.07967	5.3
147.11650	21.6
149.09564	6.0
153.12732	2.4
155.08583	2.4
157.06395	2.0
157.10103	19.4
161.05879	2.1
161.09589	2.0
163.11157	6.2
165.09073	1.8
165.12766	5.3
175.11163	20.6
181.10205	1.5
181.12219	4.5
189.11115	2.7
189.12701	2.6
191.10663	4.3
193.12207	55.6
209.11713	2.2
211.13257	85.6
212.13503	1.8
213.14944	1.6
217.05020	2.2
227.12779	6.8
229.14273	3.6
233.15321	2.0
245.47134	1.5
249.14731	2.9
267.15857	31.2
283.15414	3.7
284.15967	1.7
285.13812	3.1
285.16925	37.7
301.03320	1.9
301.14258	3.7
309.16833	1.9
319.15646	2.5
337.16412	3.4
355.17279	4.9
359.22165	2.6
367.22507	2.8
370.19946	1.7
375.17886	2.0
385.23566	4.9
393.18933	3.5
403.24655	3.0
411.19946	6.4
429.21188	13.0
431.28021	2.3
433.25870	2.9
441.26346	1.9
451.26993	4.8
459.27277	21.7
477.28351	29.3
495.12631	5.0
495.29425	37.4
500.96106	1.7
511.28452	2.4
585.29907	4.8
603.31299	3.4
621.32629	10.4
639.33679	38.2
640.34674	2.5
657.33679	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.05462	1.0
57.03402	0.6
59.29770	0.2
61.02888	0.7
67.05496	1.5
68.99778	6.0
69.03392	0.7
69.03726	0.3
69.07017	0.7
71.04941	0.5
71.78852	0.4
78.14801	0.3
79.05473	2.8
81.03405	2.8
81.07045	1.9
83.04924	1.1
83.08553	1.0
85.02879	1.8
89.03862	0.6
91.03912	0.4
91.05461	3.2
93.07028	2.1
95.04966	1.7
95.08555	1.3
97.02819	1.2
97.06454	0.3
97.10094	0.4
99.04420	0.4
103.05465	1.4
105.07011	7.9
107.04900	1.3
107.08552	0.7
109.02795	0.5
109.06477	0.5
109.10093	0.7
111.04391	0.3
111.08002	0.3
115.05454	1.6
117.03342	0.4
117.06934	0.5
117.25108	0.3
118.04117	0.4
119.04884	0.8
119.08513	1.1
121.02893	0.3
121.06475	4.0
121.10086	0.5
123.00771	0.3
123.08013	0.3
123.11669	0.4
125.09593	0.3
127.03842	0.4
129.06947	0.6
131.04858	0.9
131.08501	0.9
131.17036	0.3
133.02760	0.8
133.05661	0.3
133.06470	3.5
133.10069	0.8
135.04390	9.8
135.07974	0.5
137.02315	5.4
137.03354	0.5
137.05922	0.7
139.00237	12.4
143.04881	0.5
145.10017	0.4
147.04407	1.6
147.11621	0.7
149.05945	1.9
149.09633	0.3
151.07486	2.0
153.01767	0.8
153.90654	0.3
157.01326	1.4
157.10023	0.4
159.04358	0.5
161.02263	0.6
161.05956	1.9
163.03902	2.7
163.07457	0.4
163.11163	0.6
165.05464	0.6
165.09093	0.7
167.07042	2.1
169.01254	1.1
173.05908	0.5
175.03848	0.7
175.11086	0.5
175.53351	0.3
177.05443	5.5
178.06198	1.4
179.03333	0.5
179.07042	1.4
181.08485	0.5
181.72961	0.3
189.05452	0.7
193.08531	3.0
193.12247	1.4
194.09348	5.4
199.03844	0.5
203.03290	0.9
207.06313	0.3
209.08058	0.6
211.13222	1.3
213.05319	0.3
217.04901	0.8
221.04451	0.3
227.03342	1.1
227.12717	0.4
229.05009	0.7
245.04399	2.6
257.04340	0.7
267.15900	0.9
273.03888	43.1
274.04355	1.7
285.03763	1.7
285.16946	0.7
286.04553	0.7
287.05466	7.1
299.05435	1.6
301.03378	61.9
302.03851	3.8
303.04935	24.4
304.05322	0.9
313.06891	0.7
315.04761	0.6
327.04947	7.5
328.05530	0.6
341.06390	2.5
355.15128	0.5
405.06079	0.3
406.06949	0.5
419.07196	0.5
420.08228	0.3
421.09021	0.4
426.82828	0.3
429.19183	0.8
431.07581	0.4
436.07840	0.5
437.08719	0.9
459.27255	0.6
462.09692	0.4
463.08823	2.5
477.28397	0.6
495.12787	100.0
496.13123	5.0
621.31140	0.5
639.32837	1.0
657.18066	26.3
657.29761	1.3
658.18274	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08674	0.2
53.03931	0.4
55.05495	0.7
57.03418	0.7
61.02916	4.2
61.47530	0.2
64.03459	0.2
65.03929	0.4
67.01842	0.2
67.05488	1.4
68.99760	0.6
69.03412	1.1
69.07058	0.7
69.79171	0.3
69.79585	1.7
71.04980	0.5
71.42403	0.3
73.02895	0.9
79.05472	3.2
81.03397	2.7
81.07030	1.7
83.04987	0.5
83.08589	0.5
85.02881	4.1
89.03893	0.2
91.03944	1.8
91.05460	3.3
93.07020	1.6
95.01323	0.5
95.04944	1.4
95.08599	0.7
97.01936	0.2
97.02882	2.2
97.10155	0.6
98.20727	0.4
99.04445	0.5
102.04651	0.3
103.05444	2.8
104.06240	0.3
105.03387	0.5
105.06306	0.5
105.07010	9.3
106.07334	0.3
107.04940	1.3
107.08558	0.4
109.02840	0.4
109.06463	0.3
109.10146	0.3
111.00803	0.4
111.04433	0.4
115.05448	2.2
116.06232	0.6
117.06956	0.4
118.04143	0.9
119.04919	2.5
119.08573	0.9
121.02869	0.6
121.06490	2.5
121.10136	0.5
123.04432	0.5
123.08059	0.6
123.11662	0.3
127.03889	0.6
129.06963	0.3
130.04128	0.3
131.04893	2.5
131.08539	0.8
132.05692	0.5
133.02847	2.0
133.06461	6.6
133.10110	0.6
134.07272	0.3
135.04395	0.6
135.08095	0.4
137.02347	0.8
137.05966	1.4
145.04927	0.3
145.06467	0.3
146.03519	0.3
147.04382	5.7
147.08008	0.7
147.11685	0.7
149.05943	1.3
149.09650	0.3
150.06723	0.4
151.03812	0.3
151.07495	1.7
153.01808	2.4
153.05411	0.3
157.10146	0.4
161.05954	3.6
162.06728	0.5
163.03886	3.2
163.07516	1.5
163.11102	0.4
164.08287	0.3
165.01849	0.8
165.05426	2.2
165.09108	1.0
167.06999	5.0
171.04297	0.3
173.04684	0.3
173.05930	1.4
175.03864	0.3
175.07501	0.4
177.05460	2.0
177.09097	0.4
178.06229	2.8
179.03441	1.5
179.06999	4.8
179.54666	0.2
180.07744	0.7
181.08603	0.8
187.03949	0.6
187.07603	0.4
189.05481	0.9
191.03400	0.5
193.08571	5.2
193.10373	0.3
193.12251	0.7
194.09351	23.8
195.09833	1.0
199.07574	0.6
201.05453	2.0
201.14601	0.2
203.03401	0.7
211.13217	1.3
213.05461	0.3
217.04921	8.6
218.05153	0.4
219.14050	0.2
227.12624	0.3
229.04909	2.8
231.02792	0.3
245.04404	8.3
246.04883	0.3
257.04501	2.0
267.16013	0.4
273.03885	12.4
274.04352	1.1
285.03876	3.4
285.16843	0.3
286.04483	0.5
298.04575	0.3
299.05450	2.4
301.03378	14.7
302.04062	1.5
303.04883	3.0
311.12766	0.4
313.03442	0.6
313.07098	0.9
313.14420	0.3
317.02997	0.3
317.06458	0.8
327.04926	15.9
328.05392	0.9
329.13733	1.2
341.06454	7.3
342.06750	0.5
355.15344	0.6
385.16513	1.8
403.18253	0.2
403.24121	0.3
406.06839	0.3
429.18805	1.1
449.79718	0.3
459.26996	0.4
477.28455	0.8
495.12775	100.0
496.13153	7.8
511.11917	0.6
618.22772	0.3
621.29993	0.3
639.32239	0.7
657.32422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01860	0.5
55.05494	1.1
57.03409	0.8
57.07065	4.1
61.02911	0.4
67.05493	2.1
68.05021	2.4
69.03131	0.3
69.03424	2.7
69.07056	0.7
70.13642	0.5
70.14065	1.1
71.04971	0.5
71.08619	2.6
79.05484	1.7
81.03418	1.8
81.07051	2.3
83.05006	0.4
83.08584	1.0
85.02900	2.5
85.10160	1.4
87.04454	0.3
91.05456	2.1
93.07040	1.1
95.04942	1.6
95.08585	2.9
97.02888	1.2
97.06444	0.3
97.10142	0.3
98.21362	0.5
101.34630	0.3
103.05457	1.3
105.06986	0.7
107.04938	49.3
107.08566	0.6
108.04364	0.3
108.05273	1.0
109.02907	0.4
109.06480	0.4
109.10145	1.5
115.05438	7.4
116.05793	0.5
117.06979	1.3
119.04939	0.8
119.08550	0.8
121.02849	0.9
121.06495	4.3
129.07051	0.5
131.04887	1.6
131.08522	0.4
133.06467	2.1
134.07237	0.3
137.05952	6.9
143.04900	11.1
143.06032	0.6
145.06465	6.7
145.10081	0.4
147.04353	0.5
147.07954	0.4
150.06702	0.7
151.07515	1.3
155.05977	0.3
160.05182	0.8
161.06015	0.8
162.05470	0.6
162.06741	1.4
162.09015	0.3
163.06273	2.1
163.07559	1.4
169.06441	0.4
172.07431	0.3
173.06036	0.3
175.06207	0.3
175.07518	6.4
176.07036	3.3
177.07828	4.4
177.09186	0.4
178.08603	19.3
179.08980	0.9
181.06424	1.0
181.10103	0.5
184.07544	0.3
186.09158	0.5
187.07477	0.6
187.09892	0.5
188.07043	1.2
189.07809	2.5
189.09232	0.4
190.08655	1.5
191.08330	0.4
191.09386	1.0
192.10178	0.9
194.07179	1.6
195.08011	0.6
201.09268	0.4
202.08662	0.7
204.10168	23.4
205.10896	5.4
206.11665	0.9
207.08086	0.5
208.09004	0.3
209.09599	4.7
210.09052	0.7
213.07907	0.4
214.08614	2.3
215.09163	0.3
216.10204	0.7
218.08171	0.6
218.11751	0.6
219.08067	1.1
222.06770	0.4
223.07607	0.7
226.21660	0.6
227.09328	0.3
228.10149	6.4
229.10921	3.7
230.11656	1.1
231.08865	0.4
232.09650	16.8
233.10272	1.3
235.07599	0.5
236.20085	1.1
237.09065	5.0
238.21666	0.4
238.88065	0.3
239.07028	0.9
240.07864	0.4
242.11865	0.3
246.11241	9.0
247.11980	5.2
251.10652	0.3
254.09377	0.9
256.17813	0.3
260.12793	4.2
267.16089	0.3
269.11685	11.8
270.12335	0.5
274.14578	0.4
280.09698	1.2
288.16107	0.5
295.13251	0.8
296.12778	20.9
297.13144	0.9
302.17502	0.8
310.14090	0.4
312.15878	10.2
313.16150	0.7
316.19238	0.3
331.42371	0.3
344.25958	0.4
369.26804	0.6
372.25439	0.5
386.21915	0.4
386.26855	6.4
387.27588	3.9
388.28360	0.8
459.27048	0.3
474.21063	0.5
494.32587	43.5
495.32907	4.6
509.22165	0.3
510.21909	1.0
511.22720	0.3
559.36267	0.3
578.24243	0.5
656.37811	100.0
657.38068	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	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84566	0.9
53.03936	8.0
55.01624	1.1
55.01867	13.1
55.05503	28.4
57.03429	16.1
57.07070	5.4
58.62638	0.9
59.04985	2.7
61.02898	1.4
64.03854	0.9
65.03923	3.5
67.05496	55.7
69.03422	32.0
69.07062	12.2
70.67093	3.5
71.01335	3.3
71.04981	10.1
73.02914	5.6
77.03912	0.9
79.05482	46.0
80.05830	1.0
80.86349	0.8
81.03409	100.0
81.07045	43.9
81.07533	1.6
82.03743	1.3
82.07375	0.9
83.01335	2.0
83.04966	26.7
83.08606	24.1
85.02894	27.4
85.06538	3.2
91.05467	42.9
92.05798	1.0
93.07030	33.1
94.04166	1.0
95.04953	33.8
95.08587	16.4
97.02876	30.7
97.06528	9.2
97.10161	13.2
98.07362	0.9
98.20784	0.9
99.04449	7.1
99.08068	1.7
101.02358	2.8
103.05442	1.7
105.03384	1.5
105.06309	1.5
105.07014	27.6
107.04938	18.2
107.08585	15.4
109.02865	15.6
109.06512	8.3
109.10146	27.3
111.04431	13.2
111.08072	13.9
114.04762	1.1
115.03921	3.9
115.05401	1.5
116.04707	0.9
117.05539	1.0
117.07011	7.8
119.04922	2.2
119.08567	20.8
121.02834	1.5
121.06499	6.0
121.09252	1.1
121.10122	16.5
123.04404	7.4
123.08057	5.8
123.11683	4.0
125.02326	1.3
125.05981	2.2
125.09615	10.7
127.03898	12.1
127.11153	1.5
128.06241	1.1
129.05475	3.5
129.06992	13.6
131.03371	1.6
131.04904	2.2
131.08543	15.4
133.06476	3.9
133.10107	13.4
135.04407	7.1
135.08037	3.9
135.11678	8.2
137.05956	1.7
137.09584	3.3
139.03864	1.1
142.07750	2.5
143.03407	1.9
143.08521	2.5
145.04968	0.9
145.06467	3.2
145.10130	10.3
147.04367	2.2
147.08049	4.4
147.11665	17.0
149.05928	1.6
149.09622	9.5
151.07524	1.4
151.11176	1.7
153.05434	3.3
153.09076	2.5
153.12715	5.5
155.08559	2.8
155.10580	1.8
157.06456	1.7
157.10086	11.1
159.04375	2.0
159.11667	2.0
161.02367	1.7
161.05956	1.7
163.03896	6.2
163.11183	11.7
165.05386	1.1
165.09052	1.3
165.12738	4.9
167.07092	1.0
167.08481	1.2
169.10178	1.1
171.06519	2.6
171.08000	1.2
171.11548	1.8
173.02332	2.0
173.04512	8.6
173.05952	1.8
173.09584	3.1
173.11736	5.0
175.11157	11.9
177.05411	1.5
177.12669	1.1
181.05029	1.3
181.12271	5.7
183.06499	2.3
185.13129	1.2
187.03871	3.4
187.07574	0.9
187.11243	1.0
189.09018	1.7
189.11160	4.9
189.12727	1.8
191.10643	5.5
193.12216	35.8
194.12709	1.1
195.13861	1.0
197.05998	1.2
199.03897	3.1
199.06018	2.5
199.13190	1.0
200.08521	0.9
201.05409	1.6
201.12785	1.2
205.12209	2.5
209.11670	10.0
210.12131	1.2
211.13261	42.4
212.13492	1.0
213.05463	3.6
217.05028	1.3
217.07027	1.1
218.08885	0.8
219.13753	1.7
223.13295	2.7
227.12717	13.7
229.14297	13.4
231.13660	1.2
233.15448	0.9
247.13342	1.5
249.14859	3.5
253.14363	1.0
255.13724	1.3
265.14294	2.4
267.15979	15.6
271.13046	1.1
273.14819	1.5
277.14365	1.4
283.15366	13.1
285.16962	9.4
289.14188	2.2
301.16486	3.2
307.15390	1.3
309.17169	1.1
311.12772	2.6
321.16898	1.1
337.16415	1.7
350.07449	0.9
353.15924	1.9
355.15091	7.5
355.21927	1.0
365.20911	1.4
373.16489	1.4
383.21713	1.4
409.18741	2.2
409.25601	2.5
411.18958	1.0
421.25873	10.2
427.19534	3.6
429.18970	9.4
431.27975	1.5
439.26910	12.4
440.26926	1.8
457.25714	1.6
458.26660	1.3
459.27322	1.6
475.26871	10.7
476.27921	1.4
493.27979	13.7
494.28003	1.6
511.28937	1.9
581.29083	0.9
583.31024	1.3
586.73785	1.0
619.30377	2.7
637.31635	12.3
638.32239	2.4
655.32751	19.6
656.32458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40596	1.2
53.03938	5.8
55.01860	11.7
55.05502	27.5
56.00599	1.1
57.03425	13.5
57.07064	1.3
59.04997	1.6
65.03601	1.0
65.03918	2.5
67.05494	30.5
69.03414	14.0
69.07061	8.0
71.01324	2.0
71.04980	9.0
71.20171	1.4
71.20512	1.7
73.02892	2.1
79.05021	1.0
79.05480	34.3
81.03403	100.0
81.07037	34.3
82.03724	1.7
82.45648	1.0
83.01328	6.6
83.04491	2.2
83.04964	39.4
83.05462	2.2
83.08601	23.1
83.37937	1.0
85.02886	24.3
85.06511	1.4
89.03974	1.0
91.04907	2.0
91.05464	34.8
93.07025	34.1
95.04951	24.8
95.08594	12.7
97.02873	17.1
97.06522	7.6
97.10152	8.0
99.04436	9.0
99.08105	2.3
105.07011	22.5
106.14336	1.0
106.71830	1.1
107.04932	14.1
107.07386	1.2
107.08584	17.6
109.02866	20.0
109.06503	9.2
109.10115	4.6
111.04414	24.8
111.08050	11.1
113.05981	1.8
115.05428	2.1
117.06969	6.8
119.04889	1.4
119.08562	24.6
121.06513	6.1
121.10119	14.0
123.04401	2.8
123.08063	5.9
123.11703	3.1
125.05967	3.4
125.09592	6.3
127.03882	14.4
129.05467	8.6
129.06970	12.0
131.04858	1.8
131.08537	13.5
133.06483	4.3
133.10097	8.2
135.08023	3.1
135.11662	13.1
137.05923	1.5
137.09615	1.7
142.07758	2.5
142.20493	1.3
143.08521	1.4
145.04927	1.1
145.06462	2.6
145.10089	16.5
147.08018	5.0
147.11667	15.0
149.05933	1.3
149.09593	7.1
151.03810	1.3
151.11197	1.6
153.12708	11.1
155.08582	2.2
157.10103	12.1
159.04482	1.5
161.09578	1.5
163.03870	3.9
163.11151	25.4
165.12752	2.5
170.00563	1.3
173.04498	1.7
173.05916	2.2
173.09578	4.2
175.11153	11.1
181.12184	10.4
183.06435	1.5
187.03902	2.0
189.11172	2.8
191.10576	11.2
192.43781	1.2
193.12210	38.1
194.12573	1.5
199.03822	2.7
209.11649	7.4
211.13254	55.6
212.13588	1.9
213.05438	1.9
227.12706	21.1
229.14265	3.0
235.13138	1.8
249.14903	1.3
265.14362	1.6
267.13641	1.2
267.15921	13.7
273.14774	1.3
283.15366	43.2
284.15750	1.7
285.16916	12.6
301.14236	2.7
313.16254	1.6
317.13583	1.5
337.16739	1.7
349.16196	1.1
353.15863	5.1
355.15271	2.0
355.17184	1.8
375.28204	1.2
383.22079	1.8
391.17380	1.9
393.19208	2.1
409.18271	1.5
411.19745	4.1
427.19672	5.4
429.20575	11.2
443.27890	1.4
457.25650	3.5
475.26865	16.3
493.27875	65.2
494.28149	3.8
511.29120	3.0
619.30774	4.7
637.31970	29.4
638.32062	2.7
655.32483	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	655.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98262	0.2
67.05489	0.3
70.04546	1.1
75.04453	0.5
79.05483	0.3
81.07060	0.4
93.07081	0.2
95.08586	0.2
98.31973	0.2
129.06949	0.2
134.57562	0.2
147.34383	0.2
291.19574	0.3
376.16644	0.2
377.17642	0.6
379.19357	0.3
389.17444	0.3
391.19171	1.2
392.20096	0.5
393.20694	0.2
404.20193	0.2
405.16153	1.3
405.20908	0.9
406.17758	0.7
406.21756	0.5
407.17456	0.2
407.22311	3.8
408.22745	0.4
409.56839	0.2
418.18069	0.7
419.18100	2.7
420.18765	1.1
420.23972	0.3
421.19739	1.2
431.18469	0.2
432.19388	0.7
433.20541	4.9
434.21063	5.0
435.21765	7.7
436.22641	0.9
446.21048	0.4
447.17725	1.4
447.22086	1.7
448.18509	0.7
448.22803	0.8
449.18951	1.8
451.21341	0.4
460.22983	0.2
461.19583	1.4
461.24170	0.6
462.20264	4.5
463.21136	4.2
464.21930	0.3
465.22958	0.2
475.21545	1.3
476.22025	0.9
477.23035	1.8
478.23657	0.6
479.20926	1.0
482.26608	0.3
489.22900	1.1
490.23550	0.4
493.21689	1.0
494.23160	0.5
495.23788	1.0
505.22681	0.3
506.23282	0.4
507.20151	0.7
507.23871	0.8
508.24542	1.9
509.25446	2.0
510.25641	0.2
517.22516	0.3
521.25616	11.9
522.25964	1.0
535.26556	0.7
537.24872	0.2
540.27148	0.4
547.27100	0.4
549.24872	17.0
550.25177	1.0
553.23773	1.2
563.26556	3.1
564.27112	0.9
565.26343	0.4
567.27155	0.3
577.24725	0.4
580.27136	0.4
581.27466	3.5
594.24860	0.2
595.29181	9.8
596.29358	0.8
607.28900	0.6
609.26990	10.7
610.27393	0.9
623.28235	1.2
624.29504	0.4
655.31128	100.0
656.31482	7.5
656.42987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2751
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.05515	0.5
57.07084	0.3
67.05490	1.1
69.07051	0.4
69.60785	0.6
69.61207	1.5
79.05483	1.0
81.03413	0.5
81.07050	1.4
83.04964	0.3
83.08620	0.4
91.05462	0.9
93.07033	0.6
95.04963	0.6
95.08585	0.7
95.68898	0.2
97.10159	0.2
105.07029	0.6
107.04917	0.4
107.08613	0.4
109.10139	0.2
117.07021	0.5
119.08568	0.6
121.10101	0.4
128.06235	0.3
131.08649	0.3
133.10060	0.4
145.10112	0.3
147.11717	0.3
159.11649	0.3
172.78960	0.2
197.10767	0.3
212.83467	0.2
223.06450	0.2
237.10103	0.3
237.18510	0.3
249.10368	0.3
275.20117	0.3
287.44772	0.2
314.12604	0.2
314.16599	0.3
316.14578	0.3
372.13370	0.3
376.16904	0.3
377.17535	1.4
378.18347	0.4
379.19156	0.5
389.17648	0.6
389.26929	0.4
390.18655	0.7
391.19360	1.8
392.19986	1.3
393.20764	0.7
401.17209	0.3
403.19717	0.3
404.16040	0.5
405.16397	2.7
405.21048	1.1
406.17776	0.8
406.22098	0.5
407.22519	4.5
408.23178	0.3
417.16782	0.4
418.17468	1.9
419.18320	5.1
419.23352	0.4
420.19080	2.4
421.20270	1.9
431.18805	0.4
432.19452	1.0
433.20352	10.9
434.21057	5.4
434.26300	0.4
435.21796	5.9
436.22510	0.5
437.19440	0.4
445.20343	0.6
446.21191	0.7
447.18030	2.0
447.22540	1.0
448.18390	0.6
449.19556	1.7
450.20755	0.5
461.18524	1.3
462.20334	2.8
463.21420	3.6
464.22141	0.4
465.18716	1.9
475.21643	1.1
477.18707	0.3
478.19711	0.3
479.21042	1.0
489.23328	0.7
490.20132	0.7
491.20364	1.2
492.21338	0.3
493.21631	1.5
503.20612	0.5
505.22110	0.7
506.22897	0.5
507.20453	0.8
508.21277	1.0
517.22241	0.6
520.24805	1.2
521.25604	7.9
522.25745	0.4
523.26538	0.5
535.22168	0.3
537.20789	0.3
548.23962	0.5
549.24939	12.2
550.24945	0.9
551.23291	0.4
552.23914	0.7
565.24475	1.6
577.24414	8.6
578.24933	0.9
579.22357	0.5
580.26880	1.6
581.27625	1.8
595.25409	4.9
596.26147	0.5
609.27100	3.0
623.24896	0.5
637.26392	5.0
655.27515	100.0
656.27808	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	654.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01859	1.2
55.05492	0.2
57.03424	0.5
61.02903	0.4
65.03951	0.1
67.05496	0.4
68.99774	0.3
69.03416	2.4
69.99697	0.4
70.00113	0.4
70.06581	0.1
71.01373	0.2
71.04985	0.4
73.02909	0.6
79.05478	1.9
81.03404	3.0
81.03864	0.3
81.07040	0.3
83.04946	0.2
83.82162	0.1
85.02893	5.2
87.00813	2.1
90.74255	0.1
91.05456	1.6
93.07032	0.4
95.04945	1.4
97.02877	2.6
97.03463	0.3
98.06050	0.2
98.20712	0.1
99.04433	1.2
103.05454	2.2
105.01862	1.5
105.03359	0.2
105.07014	2.9
107.04937	25.9
107.08573	0.7
108.04462	0.8
108.05262	0.4
109.02869	2.1
111.04414	0.4
115.03916	0.2
115.05449	1.6
116.06243	0.2
117.01839	0.3
117.06994	1.2
119.08525	0.2
120.05698	0.7
121.06449	0.5
122.03670	0.1
123.04398	0.4
124.05190	0.4
125.05952	0.5
126.05476	0.4
127.03896	3.4
129.01836	0.3
129.06937	0.3
131.04936	0.7
131.05774	0.1
131.08536	0.3
133.06458	0.4
133.10193	0.2
135.08032	9.2
136.08363	0.2
137.05980	0.2
139.03934	0.3
144.05634	0.2
145.04948	1.0
145.06470	0.4
145.07593	0.5
147.02809	0.2
147.04414	0.4
147.08064	0.2
148.05165	0.3
149.05981	0.1
149.09601	0.2
151.03879	0.3
152.04623	0.3
154.06224	3.7
159.02904	1.3
159.08032	0.7
161.05934	0.3
163.07518	16.3
164.07884	0.4
165.05380	0.2
167.07010	14.9
168.07251	0.2
171.14810	0.1
175.07481	0.5
178.06227	0.2
180.07788	2.5
181.08319	0.2
183.07990	0.2
184.83980	0.1
187.07506	0.9
189.09064	0.2
191.07091	0.2
192.07773	0.2
193.08549	0.3
195.10135	100.0
196.10463	2.3
201.09055	0.2
205.08583	0.4
207.10187	1.1
209.11736	0.4
210.36726	0.2
219.10123	1.3
223.09718	0.2
225.09122	0.2
229.08510	0.2
231.05002	0.5
233.11650	0.2
235.09526	0.2
235.13341	0.2
237.11160	1.5
243.09990	0.2
248.07588	0.6
249.11279	0.1
253.08601	0.2
257.11545	0.3
261.11172	0.6
266.08569	0.2
271.09528	0.2
275.12704	0.2
285.11142	0.7
303.12222	2.6
321.13046	0.2
389.19431	0.2
407.13196	0.4
425.14172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.0
55.01858	10.6
55.05505	40.2
57.03433	10.6
57.07097	2.9
61.66827	2.4
65.03931	6.9
67.05495	87.0
69.03407	6.4
69.07047	22.0
71.04989	6.4
71.79571	2.5
71.79949	3.4
78.04726	2.5
79.05479	73.1
81.03410	38.5
81.07043	69.8
83.04984	8.7
83.08617	22.8
85.06545	3.0
85.61166	2.4
89.90250	3.6
91.05466	61.5
91.06025	3.9
93.07029	59.2
95.01308	5.3
95.04951	62.4
95.08587	48.8
97.06521	6.6
97.10143	18.2
99.08060	2.8
103.05447	3.3
105.03406	2.9
105.07021	45.7
107.04954	12.0
107.08571	27.3
109.02887	11.3
109.06522	7.9
109.10129	18.4
111.04461	4.6
111.08080	5.8
115.05459	11.8
116.06213	4.0
117.06992	28.5
119.04939	9.8
119.08583	27.8
121.02863	7.8
121.06490	14.0
121.10143	20.1
123.08049	9.0
123.11692	3.1
125.09621	14.1
128.06194	3.7
129.06944	16.7
131.04893	18.5
131.08554	23.1
133.06490	16.2
133.10115	16.2
135.04414	4.0
135.08072	4.5
135.11708	10.3
137.02325	5.7
137.06017	3.8
137.09610	3.0
141.07027	9.4
142.07796	4.3
143.08539	18.5
145.06485	22.3
145.10118	16.8
147.04381	16.3
147.08046	5.5
147.11667	13.2
149.05972	6.3
149.09639	5.6
149.13272	3.9
153.06998	3.8
155.08569	10.5
157.06511	9.3
157.10130	11.1
159.04434	5.4
159.08066	8.3
159.11700	11.1
160.05197	6.0
161.05946	24.2
161.09622	8.1
161.13290	3.9
163.11195	12.1
165.06956	3.2
167.08542	8.8
169.10149	10.0
171.04445	12.5
171.08075	10.9
171.11710	7.5
173.05957	18.4
173.09601	8.7
173.13222	4.0
174.06683	3.5
175.07547	4.8
177.12685	3.9
179.08614	7.8
180.09279	3.5
181.10109	9.8
183.08093	8.2
183.11729	9.6
185.05943	7.1
185.09641	8.9
185.13232	4.4
187.07564	10.3
187.11201	4.0
189.05418	21.6
189.11182	6.3
192.09367	3.1
193.10193	5.1
193.12227	6.6
195.08020	4.5
195.11729	5.9
197.09695	6.3
197.13312	3.8
199.07536	3.8
199.11081	4.1
199.14903	3.7
201.12689	3.8
205.10202	5.5
207.11664	8.6
209.09647	6.1
209.13199	6.3
211.11220	6.7
221.09598	4.3
221.13338	4.6
223.11284	5.4
225.12567	3.1
227.10637	4.4
227.12535	5.1
227.14468	4.9
233.13263	3.8
235.11145	4.2
237.12759	5.0
239.14299	4.4
245.15460	4.2
251.14403	3.0
255.13844	7.5
259.13245	4.7
261.22385	4.0
265.12515	3.5
267.15967	3.6
271.13306	3.5
273.14795	25.8
283.13354	10.1
285.14954	9.5
289.14365	11.4
301.14276	60.9
303.15988	8.0
311.16565	4.1
319.15482	7.7
335.19785	3.0
335.25827	25.9
357.16885	5.5
375.18008	16.9
393.19125	3.6
393.24042	3.6
415.22839	2.7
422.45309	3.1
525.33801	6.7
533.35986	3.6
543.34735	5.9
561.35730	10.8
579.36969	4.4
593.38000	3.5
595.39569	3.5
605.38416	4.5
607.39764	5.3
617.38312	11.5
623.39227	23.6
635.29828	3.4
635.39258	90.9
636.39148	6.6
653.29492	5.2
653.40381	100.0
654.41046	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	653.3516
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03933	9.7
55.01870	6.5
55.05499	22.0
57.03419	13.8
65.03928	2.8
67.05492	50.7
69.03415	17.5
69.07050	12.0
69.63769	2.9
69.64176	9.3
70.06580	3.1
70.96422	1.4
71.04981	8.5
73.06551	2.7
79.05480	62.2
81.03403	98.2
81.07040	47.0
82.03725	2.4
83.04485	2.8
83.04964	32.3
83.08607	23.2
85.02887	16.4
85.06522	3.2
91.05462	55.4
92.05848	1.9
93.07027	58.7
95.04949	33.6
95.08585	24.5
97.02873	15.8
97.06527	8.5
97.10159	5.3
99.04446	3.9
101.43924	1.4
103.05441	2.1
105.03393	3.1
105.04535	2.0
105.07008	44.2
106.07375	1.9
107.04939	16.5
107.08566	18.5
109.02845	10.2
109.06487	7.7
109.10149	6.2
111.04417	9.1
111.08066	10.6
115.05425	2.5
117.06991	10.3
117.91951	1.5
119.08555	32.6
121.06472	5.9
121.10137	11.6
123.04379	2.6
123.08044	5.2
123.11698	1.9
125.09631	2.9
127.03888	8.5
128.06200	3.0
129.05492	3.3
129.06976	20.9
131.04839	1.7
131.08543	11.8
133.06467	4.2
133.10110	14.8
135.08032	4.0
135.11682	4.2
137.09641	2.2
142.07774	1.5
143.08546	6.9
145.06471	1.7
145.10095	11.3
147.04419	1.4
147.08035	3.9
147.11656	33.3
147.12823	2.0
149.09578	5.0
153.12805	2.1
155.08463	1.5
157.06320	1.8
157.10109	12.2
159.11696	1.8
161.05876	1.7
161.09622	3.2
161.13235	9.1
163.07489	3.4
163.11162	5.3
165.12691	3.3
167.07016	3.1
171.07944	1.8
171.10294	2.3
171.11662	18.3
173.04494	3.6
175.11157	9.4
181.12158	3.0
189.12715	9.5
193.12225	37.0
195.10117	20.4
195.11716	1.7
207.13773	23.5
208.14091	1.6
211.13264	34.9
211.15140	2.6
212.13617	1.6
225.14915	3.2
227.12798	5.5
249.14969	4.0
267.15875	37.3
268.16318	3.9
280.09506	2.8
281.10013	2.4
281.17422	65.7
282.17792	3.1
283.15280	1.6
284.53940	1.5
285.16864	11.6
287.16440	2.5
305.17493	1.5
337.16348	1.6
347.18649	1.4
355.17499	4.9
362.38287	1.6
411.19946	2.6
429.21140	19.2
455.27805	1.9
473.28940	100.0
474.29309	8.8
491.30005	20.5
617.32813	1.9
635.34174	43.6
636.34351	5.6
653.34521	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28650	0.8
53.03935	7.8
55.01861	16.1
55.05499	20.0
57.03430	11.5
57.07069	1.6
58.43754	1.0
59.04978	3.9
63.87896	0.9
65.03904	1.3
67.05493	28.5
69.03423	18.0
69.07052	8.1
69.67509	8.7
70.06568	1.0
70.97834	0.9
71.01341	1.9
71.04977	12.5
77.03892	1.2
79.05010	1.4
79.05477	32.8
81.03402	100.0
81.07037	29.5
83.01315	6.6
83.04964	34.2
83.08602	12.8
85.02889	12.2
85.06527	1.3
91.05460	21.9
93.07026	37.5
95.04955	12.7
95.08604	13.2
97.02873	27.1
97.06517	9.4
97.10139	6.1
99.04436	14.4
99.08053	1.3
99.31671	1.0
101.02325	2.0
103.05416	1.3
105.07024	12.7
107.04941	14.5
107.07887	1.8
107.08574	20.7
109.02859	32.5
109.06472	6.5
109.10140	6.6
111.04418	26.4
111.08057	11.8
115.05479	1.1
117.07000	10.2
119.04926	1.1
119.08556	12.7
121.06480	3.5
121.10115	15.2
123.04413	2.7
123.08015	6.0
125.05964	3.4
125.09611	5.3
127.02987	2.0
127.03886	25.2
129.05487	1.9
129.06979	3.7
130.07771	1.8
131.04900	1.0
131.08548	6.9
133.10046	4.8
134.21075	0.9
135.04359	1.1
135.08034	5.0
135.11671	24.5
137.06004	1.3
137.09552	1.1
139.07542	1.7
142.17542	1.0
143.08534	1.7
145.04901	2.1
145.06451	3.6
145.10101	23.1
147.08029	3.1
147.11642	3.8
149.05933	1.5
149.09587	3.9
153.09073	2.0
153.12704	22.0
155.08557	2.8
161.09567	1.1
163.11142	47.0
165.05467	1.1
173.09616	8.6
181.12202	27.0
183.06496	2.0
189.09297	1.1
189.11198	3.8
191.10632	25.6
195.10242	1.0
201.12682	1.1
209.11676	18.0
225.11189	1.5
227.12732	52.8
231.66159	1.0
247.13135	1.4
263.12778	1.1
265.14301	3.2
283.15350	85.4
284.15964	1.3
289.14148	1.3
301.16486	2.9
307.15646	1.2
311.14813	3.4
317.13730	2.9
335.14844	2.8
353.15918	17.3
371.16943	2.9
391.17377	3.9
399.21658	1.4
409.18491	3.8
427.19574	30.4
473.25259	4.1
491.26266	19.2
509.27286	14.3
561.26495	1.2
617.29517	2.5
626.27429	1.0
635.30542	39.1
636.30920	1.6
653.31641	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	653.2958
Annotation	Haplophytine
Peak:m/z	Relative Intensity
56.11237	0.7
64.97434	0.6
71.08616	1.0
71.82948	1.1
71.98079	0.8
79.05461	0.8
89.69335	0.8
91.63506	0.6
95.08578	1.5
97.10156	0.7
105.07030	2.4
109.10191	1.0
182.94106	0.6
206.96344	0.7
230.83104	0.7
390.18338	1.0
391.18927	3.9
392.19855	2.2
404.20026	1.3
405.20718	7.5
406.21536	7.6
419.22321	3.2
420.22977	5.3
421.23752	11.7
431.22519	0.8
433.20120	3.1
434.24832	1.8
436.18768	1.0
436.45242	0.8
445.20120	1.6
447.21509	1.4
449.19241	0.8
449.26913	0.9
450.20407	2.6
451.21283	1.6
452.22156	1.4
460.22662	2.2
465.22812	34.5
466.23135	2.5
473.19504	1.7
475.25494	0.8
477.27454	0.9
479.24420	7.1
480.25281	3.4
480.38351	2.7
481.38702	2.0
487.21332	2.0
488.21854	5.0
491.20517	1.6
492.21411	1.6
501.22897	1.1
503.24316	37.6
504.24637	2.7
507.27679	2.3
533.26001	1.2
535.26953	31.4
536.27277	2.5
551.26343	3.6
561.24652	1.5
579.25885	33.1
580.26416	2.2
593.27783	1.6
594.28143	12.5
621.26923	15.9
622.27234	1.3
653.29572	100.0
654.30084	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	653.2593
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
55.05494	2.4
67.05488	2.2
69.07046	0.9
69.47164	9.4
72.08135	1.0
72.29911	0.9
77.27213	1.1
79.05466	1.3
81.07048	2.5
83.08600	1.0
87.67765	1.0
91.05453	1.1
93.07053	1.3
95.08595	1.8
97.10167	1.4
98.21458	1.9
105.07028	1.7
107.08574	1.4
109.10102	1.1
125.09589	1.5
170.08437	0.9
184.07356	2.6
185.07578	1.0
188.99358	1.0
209.10796	1.0
221.10753	1.0
223.12263	1.0
237.10168	1.2
316.86063	1.0
339.13489	1.1
363.16000	2.0
377.17572	5.6
378.18494	3.6
381.11215	1.3
384.13397	1.2
386.15894	0.9
389.17429	1.7
390.18756	1.9
391.19189	12.9
392.20016	4.0
393.20645	4.6
401.17633	1.2
403.19339	2.2
404.20193	1.5
405.21130	6.7
406.21365	3.1
407.22232	13.2
411.22827	3.0
414.14270	1.5
417.21164	1.6
419.17813	1.9
419.22433	4.1
420.23163	1.7
421.20486	5.4
422.17343	1.2
431.18512	2.9
433.20142	3.1
434.21298	2.2
435.21933	13.0
436.22580	3.3
437.19601	2.3
444.15240	1.1
445.20688	1.9
446.21329	1.2
447.21826	3.9
450.20557	1.6
451.21432	4.2
459.18076	2.9
461.18777	1.5
461.23944	2.8
462.24109	2.1
463.25720	1.6
465.19101	8.7
466.19971	3.1
473.19553	2.6
474.20654	1.8
475.21509	1.7
477.19016	1.9
479.20605	19.1
480.21521	2.1
481.35385	3.2
487.21677	2.2
489.22794	3.6
493.26642	1.3
501.19031	4.3
502.19836	2.1
505.18079	5.7
507.23743	2.1
515.20740	8.1
516.21545	4.1
517.22314	29.7
518.22675	1.8
519.23944	1.2
521.25830	6.5
522.26392	3.1
533.21985	2.1
537.24658	4.1
547.23651	4.1
549.24908	34.6
550.25006	1.6
551.22919	9.1
565.24286	6.0
566.25134	21.1
575.22968	8.6
576.23566	2.6
593.23981	13.1
594.24432	3.8
607.25458	7.8
609.27020	9.1
625.26404	1.6
635.24890	85.4
636.25452	2.8
653.25964	100.0
654.26184	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00946	1.7
53.03934	6.3
55.01862	4.7
55.05502	26.3
57.03432	10.1
57.07057	8.1
59.04982	5.6
61.39628	1.8
65.03915	2.0
67.05496	100.0
67.35793	1.7
69.03417	26.5
69.07060	14.8
69.76820	11.6
71.04979	4.5
71.08613	5.8
73.02901	2.1
79.05484	26.5
81.03407	44.1
81.07043	60.8
83.04966	16.1
83.08613	14.7
85.02874	7.8
85.06502	3.4
85.10178	1.9
91.05466	29.9
93.07039	26.2
95.04961	10.9
95.08589	37.2
97.02893	13.5
97.06516	5.0
97.10153	14.7
98.21410	3.6
99.04451	5.4
103.03955	2.6
105.07011	22.2
107.04961	2.1
107.08588	25.8
109.02866	8.3
109.06531	5.4
109.10140	68.1
110.10474	1.9
111.04424	8.1
111.08039	5.8
115.05411	1.8
117.07003	8.1
119.08559	15.3
121.06506	3.3
121.10113	11.3
123.04391	2.1
123.08080	3.0
123.11686	6.8
124.78814	1.8
125.09619	12.1
127.03902	6.4
128.06212	3.0
129.05463	10.7
129.06982	6.7
129.20586	1.8
131.04840	2.5
131.08537	13.8
133.10114	10.8
135.08023	4.0
135.11667	8.3
137.09607	3.1
139.11223	2.3
141.06905	2.7
142.07756	2.1
143.08531	6.7
145.06451	3.4
145.10106	11.2
147.08049	4.4
147.11720	9.9
149.09593	3.4
149.13240	4.4
153.01802	27.9
153.06952	2.2
155.08504	5.0
155.10628	3.3
157.10147	4.7
159.11707	8.7
161.13283	4.9
163.11137	2.1
163.14708	2.6
167.08530	2.2
169.10135	4.8
171.11627	5.4
171.66444	1.7
173.11723	19.8
173.13269	5.7
175.11282	2.9
175.14842	2.2
183.08162	2.5
183.11647	4.4
184.07230	1.8
185.05919	1.8
185.09641	2.5
185.13214	4.9
187.11015	1.9
187.14853	4.4
189.11195	9.5
189.12715	3.2
197.13264	3.7
199.07497	2.3
209.13197	2.2
213.05441	2.7
227.12621	10.5
229.12225	3.5
229.14331	41.3
229.16635	2.0
241.04913	4.5
245.13707	3.3
259.20660	2.1
261.22131	4.9
277.21646	3.1
279.23181	2.3
297.13385	3.1
301.21555	3.6
303.23077	2.3
311.05527	2.2
313.03217	1.9
315.23245	2.5
321.04083	2.2
321.07898	2.0
335.25870	10.4
337.03561	2.2
337.27374	7.7
339.05048	4.5
351.22949	4.2
369.24310	11.5
371.17181	4.4
373.18423	9.1
387.25143	7.0
405.26248	6.9
443.27728	4.4
445.41867	2.2
461.28824	4.4
463.17502	49.3
464.17856	2.8
479.20636	42.8
479.28174	2.8
479.29678	2.1
480.20901	2.4
489.35577	7.2
507.37161	3.1
559.36279	2.4
597.37555	6.4
615.38800	9.3
633.33319	19.6
633.40430	16.7
634.33624	3.2
651.40735	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	651.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92880	1.3
53.03946	6.1
53.67624	1.2
55.01857	4.2
55.05503	27.2
57.03421	12.2
57.07051	4.0
59.04990	3.1
65.03928	3.2
67.05492	100.0
69.03082	2.3
69.03420	27.2
69.07056	20.0
71.04971	7.4
71.08633	2.4
79.05017	1.9
79.05479	35.0
81.03406	52.4
81.07040	60.1
81.81073	1.1
82.07359	1.5
83.04967	24.3
83.08607	16.3
85.02882	4.7
85.06511	3.2
87.51253	1.2
91.05455	31.2
93.07024	35.0
95.04948	9.3
95.08591	41.0
97.02874	15.9
97.06500	2.8
97.10155	16.2
99.04421	5.6
99.08062	1.4
103.03944	1.8
105.07016	23.1
107.04912	3.4
107.08569	27.4
109.02863	7.4
109.06485	5.3
109.10139	61.6
111.04436	9.0
111.08031	3.4
113.09643	1.4
115.05440	1.7
117.07007	11.1
119.08558	24.2
121.06509	2.0
121.10120	14.7
123.08035	3.5
123.11681	4.8
125.09606	10.5
127.03896	9.8
128.06242	2.7
129.05467	12.9
129.06929	6.3
131.08566	17.1
133.06503	3.3
133.10103	13.3
135.08040	4.0
135.11679	11.6
137.09593	5.4
137.13335	1.7
141.06956	3.0
142.07742	1.8
143.08540	10.0
145.06471	2.7
145.10098	13.3
145.83620	1.4
147.08006	2.6
147.11655	10.4
149.09619	3.1
149.13255	6.5
151.11115	2.2
153.01801	5.6
153.09045	1.6
155.08504	2.6
155.10660	2.8
156.09322	2.2
157.06511	2.2
157.10080	8.5
159.08054	2.9
159.11661	10.1
161.09630	2.3
161.13234	6.1
163.11224	2.3
163.14720	2.2
169.10083	4.2
171.10220	1.9
171.11577	7.1
173.09579	2.2
173.10184	1.4
173.11713	17.2
173.13226	7.5
175.11156	3.6
175.14807	2.1
181.10039	1.5
183.11636	4.2
185.09612	2.6
185.13188	4.7
187.11147	2.8
189.11226	10.8
189.12689	1.8
197.13239	3.1
199.11136	2.0
199.14757	1.9
201.12746	1.9
203.14316	2.5
205.12143	1.4
209.13251	3.0
211.11182	1.8
217.15974	1.3
223.14833	2.1
227.12642	13.5
229.14302	33.2
241.19519	1.8
243.21016	1.7
245.13879	5.7
257.18839	1.4
259.20450	3.1
261.22083	9.8
263.23776	1.9
273.22131	1.8
277.21497	2.3
279.23056	1.9
283.20343	1.6
285.22168	1.5
299.14978	4.0
301.21606	3.7
317.24945	1.3
319.22464	1.4
327.23026	2.7
331.22406	1.8
335.25818	18.5
337.27325	12.3
341.24628	1.4
345.24179	1.3
351.23175	5.0
353.24417	1.6
355.17410	2.2
369.24146	13.0
371.16837	6.2
373.18604	10.9
387.25235	5.8
389.26611	1.5
405.26196	4.5
443.27679	4.6
461.29071	6.6
463.17490	8.6
479.20578	5.8
479.30051	4.7
487.33887	1.6
489.35629	11.0
500.39746	1.7
507.36517	3.9
547.36212	1.9
559.36328	2.4
560.18323	1.3
573.37628	1.4
585.37543	1.8
597.37592	7.5
615.38977	8.5
616.15662	1.3
633.40228	30.7
651.41089	16.9
663.89661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
53.03928	4.3
55.01852	3.7
55.05500	21.4
57.03428	11.4
57.07055	3.3
59.05006	4.7
65.03911	4.4
67.05492	100.0
67.92282	0.9
69.03414	24.8
69.07053	13.8
69.95202	6.9
71.04987	7.9
71.08614	1.2
73.02895	1.5
79.05478	28.9
81.03403	27.4
81.07041	48.1
83.04971	11.5
83.08602	15.0
85.02882	4.2
85.06525	3.5
87.04459	2.0
91.05467	25.2
93.07027	31.2
95.01297	1.2
95.04948	9.3
95.07984	1.7
95.08588	31.9
97.02876	9.1
97.06512	4.0
97.10152	9.1
98.20685	1.1
99.04440	3.1
99.08040	2.1
103.03909	1.6
103.05466	1.3
105.07011	24.3
107.04942	4.2
107.08580	20.7
109.02856	5.7
109.06506	5.9
109.10135	72.3
111.04406	6.6
111.08055	5.8
115.05434	1.4
117.06987	11.4
119.04910	1.4
119.08556	21.2
121.06473	3.8
121.10120	13.5
123.04430	1.9
123.08044	2.9
123.11697	4.7
125.09595	5.9
127.03905	5.7
128.06184	2.7
129.05504	5.9
129.06969	8.0
129.39644	1.0
131.04865	1.6
131.08545	15.4
133.06451	2.1
133.10106	13.4
135.08034	6.6
135.11668	8.9
137.05910	1.3
137.09581	6.3
139.11180	2.4
141.06950	2.8
142.07748	1.2
143.08510	8.8
145.06427	3.8
145.10103	13.7
147.08026	4.7
147.11664	10.9
149.09583	4.0
149.13275	5.2
151.07477	1.6
155.08536	6.5
155.10652	3.6
157.06470	1.6
157.10094	8.3
159.08020	3.0
159.11667	12.0
161.09607	3.6
161.13194	4.7
163.11147	2.1
163.14771	2.4
165.06839	1.0
165.09084	1.5
165.12823	1.1
167.08513	1.9
169.10083	4.9
171.08006	1.9
171.10248	1.9
171.11540	5.4
173.09489	2.9
173.11711	19.5
173.13245	7.1
175.11110	2.5
175.14809	2.6
177.12712	1.8
181.10004	2.1
183.11670	3.7
184.07301	2.0
185.09595	1.6
185.13202	5.3
187.11131	2.0
187.14803	3.3
189.09035	1.2
189.11174	5.6
189.12732	2.0
189.16235	1.2
191.10718	1.4
193.10094	1.0
195.11656	2.8
197.09630	1.3
197.13261	2.2
199.11194	2.7
199.14807	3.7
201.12677	2.0
203.14429	1.8
207.11607	1.3
207.13835	1.0
209.11519	1.0
209.13383	1.2
211.11130	1.1
211.14856	1.2
213.12801	1.9
215.14442	1.0
217.12408	1.0
217.15955	1.2
223.14740	1.0
227.12691	8.2
229.14302	44.8
241.19530	1.1
243.21045	1.1
245.13809	2.8
245.22325	1.1
259.20572	3.5
261.22067	3.9
263.23322	1.1
273.14648	1.1
277.21542	3.1
283.20471	1.8
285.22202	1.3
289.21582	2.0
297.21994	1.1
299.14948	2.8
301.21689	4.7
303.23148	2.0
311.19788	1.3
313.21527	1.7
319.22571	3.5
327.23166	2.4
332.95108	1.1
335.25760	6.9
337.27255	3.3
341.24820	1.3
345.24103	2.6
351.22995	6.7
353.24759	1.3
357.24075	2.1
363.25626	1.4
369.24210	13.7
371.16742	2.9
371.25620	2.7
373.18524	5.1
385.43866	1.1
387.25259	8.1
405.26346	4.7
423.27292	1.7
429.26367	1.2
443.27838	4.4
445.29248	1.4
461.29065	6.6
479.30032	5.0
487.34042	1.9
489.35611	7.4
507.36517	2.2
531.36884	1.3
547.36328	2.0
555.36536	1.7
559.36237	1.9
573.37872	2.4
597.37726	9.2
615.38672	12.8
633.39966	32.8
634.39984	1.8
651.40796	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	651.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.9
55.01858	4.2
55.05498	23.6
57.03422	12.0
57.07053	4.5
58.49057	1.2
59.04981	3.6
59.51500	1.1
65.03917	2.2
66.16553	1.0
67.05492	100.0
68.72248	1.3
69.03412	28.5
69.07061	13.6
71.01355	1.3
71.04979	7.5
71.08601	1.3
71.79078	1.7
72.05412	1.1
73.02894	1.8
74.09706	1.2
79.05480	32.3
81.03401	44.8
81.07039	60.6
82.70632	1.0
83.04961	18.3
83.08145	1.6
83.08597	13.8
85.02888	5.4
85.06526	4.2
86.09629	1.3
87.04447	1.8
91.05466	27.1
93.06428	1.2
93.07022	37.6
95.04945	11.5
95.08585	37.7
97.02875	13.3
97.06506	4.1
97.10152	13.4
99.04422	5.4
99.08044	2.6
103.03934	2.5
105.07009	28.1
107.04964	5.2
107.08568	24.4
109.02840	7.3
109.06480	5.1
109.10136	72.2
111.04422	9.1
111.08078	6.4
112.11217	1.1
115.05442	1.7
117.07005	14.5
119.08572	21.6
121.06474	3.3
121.10125	15.8
123.08055	4.7
123.11653	5.7
125.09589	11.0
127.03885	7.2
128.06175	1.7
129.05475	7.9
129.06970	9.1
131.08533	17.8
133.06470	2.8
133.10107	14.6
135.08040	5.1
135.11652	10.7
137.09595	4.9
137.13243	2.1
139.11092	1.9
141.06946	2.6
142.07759	2.0
143.08524	9.0
145.06461	3.7
145.10103	13.6
147.04399	1.9
147.08014	4.1
147.11656	11.8
149.09612	3.3
149.13214	7.2
151.11183	1.3
153.09029	2.1
155.07243	1.0
155.08487	5.6
155.10643	3.5
157.06458	2.9
157.10109	9.2
159.08014	4.4
159.11658	9.9
161.09578	4.6
161.13217	7.0
163.11188	3.0
163.14714	1.8
167.08568	2.1
169.10127	5.3
171.11649	7.3
173.09589	1.8
173.11705	20.7
173.13225	7.8
175.07538	1.4
175.11169	3.4
175.14778	2.6
177.09122	1.7
177.12685	1.6
181.10068	3.6
183.06543	1.1
183.08080	1.5
183.11630	3.7
184.07307	2.0
185.09575	1.7
185.13216	4.9
187.11107	1.9
187.14806	2.7
189.11194	9.3
189.12726	2.8
193.10336	1.1
193.12161	2.7
195.11778	1.3
197.13249	2.3
199.11194	2.4
199.14748	1.8
201.16316	1.6
203.10518	1.7
203.14317	2.1
207.11690	1.7
207.13695	1.3
209.13248	3.3
211.14861	1.6
213.12668	2.1
215.14221	1.5
221.13199	1.2
225.12727	1.8
227.12679	10.1
229.14307	39.7
235.14824	1.3
239.18033	1.3
243.20949	1.9
245.13742	3.4
259.20480	2.9
261.22076	6.9
263.23663	2.4
273.22049	2.4
277.21561	4.1
285.22061	1.3
289.21570	3.7
291.23132	2.0
297.21979	1.3
299.14832	2.9
299.23697	1.5
301.21567	6.3
303.23083	1.9
315.23111	2.0
317.24719	3.1
319.22656	3.6
327.23270	3.6
329.20886	1.5
329.72229	1.3
335.25781	16.5
337.27386	9.8
339.23059	2.0
341.24896	3.1
345.24252	2.7
351.22955	5.9
353.24622	1.4
354.07803	1.3
357.24219	2.1
359.25864	1.6
363.25348	2.1
369.24179	14.4
371.16956	4.9
371.25571	1.3
373.18561	7.0
385.49277	1.2
387.25183	9.3
393.26266	1.4
405.26260	6.7
423.26965	1.2
425.26773	1.8
443.27768	4.7
461.28998	9.1
479.30197	5.2
487.33997	2.2
489.35452	9.8
505.34070	1.4
507.36646	4.4
531.36542	2.2
547.35809	2.3
559.36072	2.4
573.37775	2.1
597.37701	9.1
615.38684	8.9
633.39850	41.6
634.40173	2.2
651.40540	19.8
652.40656	1.3
675.17334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01853	0.8
55.05504	0.1
57.03424	0.3
59.04998	0.1
60.92445	0.1
65.03917	0.2
67.05497	0.4
67.07482	0.1
68.19312	0.1
69.03411	0.2
69.07032	0.1
76.21348	0.1
77.03899	0.2
78.04710	0.1
79.05478	3.3
81.03403	0.4
81.07041	0.4
85.02896	0.2
91.05461	2.3
91.40013	0.1
92.06254	0.2
93.07022	0.8
94.04158	0.2
95.04954	0.8
95.08599	0.1
97.02847	0.2
97.06504	0.1
98.20699	0.2
99.04382	0.1
103.05446	2.7
103.06150	0.2
104.06223	0.4
105.03378	0.2
105.07011	17.0
106.07351	0.3
107.04942	1.5
107.08547	0.3
108.02097	0.1
109.02840	0.2
109.06515	0.7
109.10106	0.1
111.04419	0.4
111.08143	0.1
115.05427	0.9
117.06982	0.4
118.04138	1.9
119.04937	0.7
120.05688	0.5
121.06497	1.4
121.10122	0.1
122.03611	0.2
122.07276	0.8
123.08006	0.2
124.05159	0.4
125.05956	0.3
127.03857	0.1
129.06998	0.1
131.04881	0.7
131.08614	0.1
132.05693	0.7
133.06462	14.4
134.07178	0.6
135.04405	0.7
135.08031	1.9
135.11703	0.1
137.05951	5.7
137.09586	0.3
138.03093	0.1
139.03886	0.1
145.06433	0.1
147.04396	0.3
147.08018	0.2
148.05144	1.1
149.05969	0.8
150.06729	5.9
151.07584	0.5
151.77460	0.1
154.06271	0.5
161.06021	0.2
163.07475	0.3
165.09085	13.1
166.06204	0.2
166.09421	0.3
167.06961	0.3
175.07487	0.4
177.05461	0.5
178.06232	0.9
179.06989	0.5
181.04922	4.8
181.08531	2.3
192.07845	0.2
193.08566	100.0
194.09047	3.0
195.10056	0.2
201.22464	0.1
205.08734	0.1
209.08040	4.2
209.10056	0.2
210.08844	1.1
221.11693	0.6
249.11136	0.2
267.16086	0.1
286.61737	0.1
371.14725	0.9
403.17471	1.7
489.28238	0.2
651.33124	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	650.438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05018	0.5
57.07056	0.4
58.06352	0.1
58.06610	0.3
60.08153	5.8
61.84606	0.1
67.05487	0.7
68.38261	0.1
69.07052	0.2
70.04358	0.6
71.07362	2.7
71.08609	0.2
74.08728	0.1
74.09690	0.3
81.03423	0.2
81.07033	0.4
83.08580	0.1
86.09690	28.8
87.10012	0.2
91.05453	0.2
93.07025	0.2
95.08597	0.2
98.21426	0.2
98.97805	0.1
98.98445	2.4
100.01567	0.1
104.10725	2.2
109.10133	0.7
119.08566	0.2
120.05753	0.1
121.10213	0.1
124.99979	19.5
130.82901	0.1
133.10077	0.2
143.01048	0.3
163.77190	0.1
166.02538	0.2
184.07309	100.0
185.07632	0.8
290.08234	0.1
291.08923	0.2
306.11325	0.4
382.60370	0.2
403.35715	0.1
478.33234	0.1
496.33929	0.2
497.17075	0.5
501.00641	0.1
509.38303	0.2
534.95294	0.1
540.69220	0.2
560.24335	0.1
577.21979	0.1
587.34937	0.1
598.87561	0.1
650.43799	10.1
651.30798	0.2
651.43951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39231	0.5
57.31502	0.6
80.05111	0.5
81.07063	0.7
83.40707	0.5
85.06503	0.6
91.05454	0.5
93.07017	0.6
95.08572	0.6
358.21973	0.6
402.18237	0.7
403.19083	1.0
405.20682	1.1
415.19241	0.6
416.20361	1.2
417.21121	3.1
418.21344	1.4
419.22366	1.4
430.17554	1.3
431.17749	3.5
432.18924	0.7
433.24152	2.6
439.88666	0.6
444.19458	1.9
445.19904	6.5
446.20856	2.5
447.22000	2.2
458.22000	0.8
459.22150	6.5
460.22598	4.3
461.23322	4.2
473.19110	6.1
474.20380	1.5
475.25146	1.3
487.21432	2.2
489.22729	2.0
501.22574	1.1
502.23611	2.4
503.24368	5.9
504.24548	0.6
515.24548	1.4
519.24304	2.0
530.26062	0.6
531.23712	1.5
533.21338	0.7
545.22125	0.8
546.26300	0.9
547.27100	11.1
548.27570	0.9
560.23962	1.0
561.24701	4.0
575.26245	1.1
589.28021	22.0
590.28351	2.2
607.29150	2.0
620.26355	0.9
649.30121	100.0
650.30457	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
53.90255	0.2
55.01854	0.5
62.94658	0.2
63.02367	0.2
63.11023	0.2
65.03925	1.2
67.05484	0.3
69.03411	1.4
69.07074	0.3
71.04991	0.4
71.79060	0.2
77.03921	0.3
77.74218	0.2
79.05470	0.7
81.03405	3.2
81.07051	0.6
85.02891	1.4
91.05469	9.5
92.89310	0.2
93.07037	0.2
94.04174	0.8
95.04942	0.5
95.08578	0.4
97.02875	0.7
98.60906	0.2
99.04417	0.4
103.05444	2.1
105.07011	1.4
107.04965	0.4
107.08598	0.3
109.02848	1.4
109.06508	0.7
111.04436	0.4
115.05467	1.0
117.06998	0.8
119.04928	21.2
119.08565	1.9
121.02898	0.3
121.10091	0.5
122.03642	1.7
127.03909	0.8
128.06187	0.6
129.06976	0.7
131.04909	3.9
132.05722	1.1
133.06502	1.1
137.05962	26.2
138.06303	0.4
141.06935	0.6
145.02879	0.3
145.04872	0.2
145.06456	0.4
147.04388	100.0
147.07971	2.1
148.04739	1.0
149.05995	0.4
151.07516	0.2
151.57460	0.2
159.07976	0.4
160.05139	0.9
161.05962	3.2
163.03917	0.4
163.07512	8.1
165.05457	2.8
171.07994	0.4
175.07521	23.9
176.07881	0.4
177.05441	0.4
177.90907	0.2
179.07024	0.3
181.06465	0.2
184.05161	0.3
186.06697	0.4
187.07538	0.9
191.08572	0.4
191.14272	0.3
193.08598	0.3
199.07518	4.4
200.08023	0.3
201.09088	0.7
202.07782	1.2
203.08578	2.4
218.07332	0.3
219.08101	1.2
220.08717	0.5
221.09618	0.3
230.07271	0.3
231.08003	3.1
232.08754	0.7
235.11288	0.4
247.07533	0.6
248.08276	1.2
251.10652	0.8
258.06808	0.3
259.07471	1.9
260.08377	0.8
261.09109	0.4
263.10596	1.6
275.06927	0.3
276.07758	1.0
277.08588	1.1
279.10135	0.4
291.10007	3.1
292.10968	1.3
293.07916	0.4
293.11475	0.3
295.13416	0.6
308.10352	0.3
309.09604	1.7
311.12787	1.7
323.12723	6.0
325.14172	2.0
479.52142	0.2
542.72186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
53.03933	0.3
55.01853	0.4
57.03409	0.1
65.03933	0.3
65.68474	0.1
66.04705	0.1
67.05489	0.2
67.23326	0.1
68.99762	0.3
69.03424	0.4
69.07066	0.1
70.58182	0.1
71.04970	0.2
71.31988	0.1
71.79693	0.2
77.03909	0.2
78.04682	0.2
79.05477	0.7
81.03404	0.6
81.07037	0.2
85.00705	0.1
85.02907	0.9
86.09675	0.1
89.03916	0.3
91.05453	1.1
93.06989	0.5
95.04932	0.7
95.08569	0.2
97.02905	0.2
99.04415	0.2
100.04838	0.1
102.04664	0.4
103.05446	15.0
104.05742	0.2
105.03353	0.9
105.07011	1.8
107.04929	1.6
107.08598	0.1
109.02847	0.4
109.10138	0.2
110.03629	0.2
111.04396	0.1
115.05448	0.9
115.06143	0.2
117.03278	0.2
117.07006	0.9
118.03293	0.2
118.04145	4.0
119.04933	1.3
119.08567	0.2
120.05703	0.5
121.02841	0.3
121.06487	1.2
121.10163	0.1
123.04389	0.2
125.05962	0.1
127.03829	0.5
130.04141	1.2
130.40857	0.1
131.04906	16.1
132.05721	0.8
133.02815	1.4
133.06461	1.6
135.04329	0.2
135.08009	1.1
137.02324	0.1
137.05949	0.5
137.09570	0.1
140.00705	0.1
143.04922	0.1
145.02852	0.2
145.04973	0.2
145.06442	0.8
146.03584	1.0
147.04385	0.9
148.05157	9.9
149.05960	0.6
151.03761	0.1
152.04669	0.1
154.06204	0.3
159.04411	0.3
159.08008	0.1
160.05222	0.2
161.05966	0.9
162.06737	0.2
163.03896	0.7
163.07509	18.5
164.07898	0.3
166.06206	0.4
167.07024	1.8
171.06535	0.2
173.05942	1.7
175.07555	0.3
176.04655	2.2
177.05431	0.9
179.07010	0.2
181.04927	6.3
181.08530	2.4
189.09123	0.1
190.06169	0.2
191.06993	100.0
191.26741	0.1
192.07379	2.0
193.08530	0.3
197.05997	0.1
201.05255	0.2
203.06888	0.1
205.08592	0.1
209.08032	2.2
210.08723	0.5
219.10052	0.3
225.44341	0.1
233.08075	0.3
235.09444	0.1
241.05000	0.1
294.10947	0.1
325.26895	0.1
341.13605	0.2
357.98618	0.1
369.13205	0.3
401.15817	1.6
439.12271	0.1
486.08643	0.1
533.49933	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	647.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01860	0.4
55.05505	2.3
57.03417	1.2
57.07066	5.3
59.04997	1.6
59.05236	0.3
61.02918	8.2
65.03930	0.4
67.05495	3.9
68.99773	0.5
69.03417	1.7
69.07063	3.9
71.04975	0.3
71.07465	0.8
71.08622	4.9
73.02909	1.7
75.13907	0.2
79.05486	1.8
80.05802	0.3
81.03410	0.9
81.07046	5.4
83.04960	0.7
83.08619	1.5
85.02893	7.9
85.06517	0.3
85.10172	2.9
91.03948	3.3
91.05461	1.5
91.47727	0.3
93.03381	0.4
93.07036	1.9
95.04955	0.8
95.08596	4.8
97.02874	4.3
97.06524	0.7
97.10150	0.4
99.04431	0.5
105.07022	1.7
107.08566	1.4
109.02859	0.4
109.06502	0.4
109.10146	0.9
111.00787	0.6
111.04453	0.3
115.03879	0.3
117.06977	0.4
119.08553	0.9
121.02873	0.5
121.10143	1.0
123.04468	0.4
123.08054	0.5
127.03916	0.9
129.06981	0.4
131.08560	0.7
133.10115	2.3
135.08041	0.3
135.11714	0.5
136.12065	0.3
137.02322	1.1
137.05986	0.3
143.08600	0.4
145.04921	0.4
145.06477	0.3
145.10086	0.6
149.09680	0.3
151.07570	0.3
151.51498	0.3
153.01793	6.5
155.14310	0.4
157.10104	0.4
159.11700	0.5
161.05936	0.4
163.03888	0.4
163.11249	0.6
165.01830	1.4
167.10652	0.4
173.06000	0.6
173.13202	0.3
175.03947	0.4
177.05412	0.4
179.03287	0.3
181.04927	0.4
181.12244	0.6
183.02913	0.5
187.03964	0.7
191.03265	0.3
195.02950	0.3
201.05482	0.9
203.03407	0.7
203.14372	0.3
207.03131	0.3
213.05482	0.5
215.03404	1.0
215.06975	0.4
217.04973	1.1
229.04970	2.0
231.02922	0.4
231.06561	0.7
239.16331	0.4
245.04469	1.3
247.05986	0.3
253.04840	0.4
255.02907	0.5
257.04385	1.6
259.06000	1.5
267.06409	0.5
271.05923	0.4
273.03989	1.4
274.04739	0.5
285.03995	1.7
287.05457	0.9
299.05511	0.9
301.03455	4.2
302.04327	0.6
303.04950	30.5
304.05350	0.7
311.05383	0.5
313.03522	1.5
313.06668	0.5
315.04941	5.0
317.02945	0.8
317.17419	0.4
323.05533	0.4
327.05023	1.1
329.02869	5.8
329.06442	0.5
331.04532	0.8
339.04950	2.2
341.06534	1.9
343.04404	3.0
343.08185	0.4
347.03848	0.3
353.06454	0.4
355.04401	5.5
355.08109	0.4
357.05780	0.4
365.06445	0.7
367.08206	0.9
373.05450	0.6
379.08035	2.0
381.09912	0.6
393.09610	0.4
439.17490	3.0
449.15964	3.2
449.28842	1.5
450.29160	2.0
467.17001	16.2
468.17450	0.6
475.13605	0.5
485.18008	100.0
486.18387	1.8
501.19861	0.4
646.31287	0.3
646.42468	0.3
647.23309	0.3
647.42401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
55.01834	0.6
55.05504	2.6
57.03406	0.5
57.07063	2.2
61.02915	3.9
64.68094	0.2
65.03898	0.3
67.01833	0.4
67.05492	3.2
68.99780	1.3
69.03384	0.8
69.07058	3.8
70.74612	0.7
71.04955	0.5
71.08611	1.6
73.02900	1.1
79.05449	1.0
81.03394	0.6
81.06597	0.3
81.07039	4.7
83.08588	1.4
85.02456	0.2
85.02893	3.6
85.10130	0.8
90.69290	0.2
91.03932	1.3
91.05437	0.6
93.07004	0.6
95.04941	0.5
95.07987	0.2
95.08590	3.0
97.02421	0.2
97.02873	2.0
97.06486	0.4
98.21393	0.2
99.04424	0.3
105.03336	0.2
105.06960	0.5
107.04932	0.2
107.08549	0.5
109.02864	0.3
109.10120	0.3
111.00752	1.2
121.02821	0.4
121.10075	0.6
123.04392	0.6
123.11677	0.3
125.69849	0.2
127.03876	1.0
129.06960	0.3
131.04892	0.4
133.10107	0.2
137.02301	1.4
137.13200	0.4
139.03918	1.1
139.04828	0.2
145.06525	0.3
147.04332	0.7
147.07962	0.3
149.02309	0.8
149.05911	0.4
151.03894	0.2
151.07469	0.2
153.01794	17.2
154.02136	0.3
155.14232	0.3
157.06491	0.3
159.04393	0.4
161.02266	0.5
161.05901	0.5
163.03894	1.1
163.11028	0.3
165.01833	2.2
166.02600	0.3
171.04373	0.4
171.07968	0.3
173.02341	0.3
173.05943	0.8
175.03865	1.3
177.01721	0.3
177.05438	0.3
179.03281	0.4
181.01248	0.5
181.06496	0.2
183.02834	0.7
183.04297	0.2
185.05913	0.8
187.03876	1.6
187.07475	0.4
189.01813	1.0
189.05389	1.4
191.03357	0.5
193.04909	0.5
194.05263	0.3
195.02859	0.3
197.05945	0.6
199.03842	0.4
199.07491	0.5
201.05412	0.8
203.03337	3.5
203.07076	0.3
205.01202	0.4
205.05013	0.5
207.02882	1.6
211.03862	0.4
211.07458	0.5
213.05412	1.0
213.09033	0.3
214.06078	0.2
215.03358	4.7
215.06891	0.3
217.01382	0.3
217.04929	0.7
217.08482	0.3
219.02895	0.2
221.15265	0.4
223.02319	0.4
225.05467	0.3
225.09036	0.3
227.03322	0.3
227.06798	0.2
229.01291	0.4
229.04883	2.3
231.02866	1.7
231.06381	0.5
237.05374	0.3
239.03426	1.0
239.07126	0.3
240.04073	0.2
241.04977	0.7
243.02844	0.7
243.06535	0.3
245.04451	0.9
249.12723	0.2
253.04962	1.7
255.02861	2.2
256.03455	0.3
257.04416	1.9
258.05206	0.5
259.06018	0.2
265.05029	0.3
267.02789	0.3
267.06525	0.7
267.13821	0.3
268.03763	0.4
269.04431	0.7
269.15350	0.3
270.05194	0.3
271.02399	0.6
271.05920	0.5
272.02985	0.2
273.03891	4.0
279.06342	0.2
281.04501	1.4
281.07397	0.3
282.05042	0.4
283.02316	1.3
283.05945	0.7
284.03180	1.7
285.03900	4.4
285.07193	0.4
285.14603	0.4
286.04779	0.9
287.05518	0.8
294.05219	0.2
295.02832	0.3
295.05991	0.9
295.13522	0.3
296.03049	0.8
297.03922	1.8
297.14749	0.4
298.04730	0.8
299.05386	2.7
300.02811	0.2
300.05875	0.2
301.03375	3.8
303.04953	6.2
309.03818	0.6
309.07327	0.2
310.04443	0.2
311.02042	0.4
311.05383	2.0
312.05676	0.2
313.03366	40.4
314.03897	2.3
315.04901	1.9
319.05991	0.5
322.04654	0.2
323.05417	1.5
324.06055	0.2
325.03427	1.1
325.06790	0.3
326.04123	3.3
327.04922	13.4
327.15530	0.9
328.05313	0.7
329.02795	7.0
331.04614	0.3
337.03329	1.2
337.07053	0.5
338.03928	0.2
339.04904	4.3
340.05371	0.2
341.02808	0.3
341.06516	0.6
341.13846	0.3
342.03659	0.7
343.04318	1.9
351.04788	0.4
351.08560	0.4
353.06595	0.5
355.04416	18.4
356.04831	0.9
361.07001	0.4
365.06601	0.7
367.07990	0.2
379.08035	0.4
386.09277	0.3
393.16888	0.4
411.17841	1.1
421.16415	0.5
422.28207	0.2
425.16013	0.2
429.12030	0.5
430.11859	0.5
439.17450	10.2
440.17865	0.5
449.16031	1.3
457.18509	0.2
467.16943	52.2
468.17316	2.4
473.19690	0.4
481.18683	0.4
483.19366	0.4
485.17975	100.0
486.18353	4.7
509.17984	2.0
533.17773	0.4
551.19293	0.3
563.19324	0.3
611.20923	0.2
647.32391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01851	0.9
55.05503	5.5
57.06828	1.1
57.07069	16.0
59.04990	11.3
65.39339	0.8
67.05492	4.8
69.03417	0.9
69.07058	4.5
69.60398	6.7
69.68434	0.9
71.04974	2.2
72.31284	0.7
73.06526	1.0
74.39771	0.8
75.04464	9.7
79.05470	9.6
81.03398	1.9
81.07036	8.6
83.04966	24.7
83.08587	1.8
84.05271	1.0
85.06527	18.0
87.74899	0.7
89.06013	39.5
90.06339	1.1
91.05465	6.5
93.07034	11.5
95.04941	11.1
95.08588	7.5
97.06512	14.6
98.20541	0.8
99.08090	2.1
105.07014	12.1
107.04928	1.1
107.08578	10.2
109.06476	2.4
109.10128	5.4
111.08059	2.5
115.07557	4.2
117.06999	3.8
119.08556	15.5
121.06491	2.4
121.10128	10.8
123.08057	5.1
123.11701	1.0
125.05968	46.3
125.09600	2.3
126.06290	1.6
128.06190	1.4
129.06996	1.4
130.07840	1.2
131.08537	8.4
133.10120	8.7
135.07990	2.7
135.11652	6.6
136.17198	0.8
137.09590	2.0
141.06981	1.1
142.07770	2.3
143.08562	5.9
144.09332	1.5
145.10081	12.7
145.33403	0.8
146.10486	0.8
147.11632	3.1
149.09604	4.2
149.13300	0.9
151.11122	1.7
155.08531	2.4
156.09300	1.8
157.10094	7.0
158.10847	1.6
159.11656	5.6
161.09566	1.9
161.13312	1.0
163.11153	58.3
164.11522	2.1
167.10609	0.8
168.09392	0.8
168.39778	0.7
169.10071	3.3
171.11621	4.4
173.13190	7.4
175.11176	3.5
175.14789	4.4
177.12668	0.9
181.12199	100.0
182.11038	1.0
182.12550	3.5
183.11765	4.4
183.13229	0.7
185.13150	1.6
187.11209	1.5
187.14792	1.8
188.14337	0.7
189.12747	1.1
191.14331	1.4
193.10268	1.6
194.10806	1.5
195.11691	3.1
196.12305	1.2
197.13255	3.7
199.14841	2.3
201.12686	2.2
207.11748	1.5
209.13150	5.5
211.13112	1.0
213.12691	1.1
213.16257	0.8
215.14304	1.9
217.15733	0.9
223.14986	1.0
223.16891	3.5
225.16313	1.2
227.14291	1.8
238.15523	1.6
239.17906	3.4
249.18591	1.1
252.61366	0.8
257.18893	2.9
261.16397	0.9
264.17157	2.5
265.17941	2.6
289.21588	13.1
297.22144	2.4
335.25372	0.9
342.25327	1.4
345.01343	0.9
349.24884	0.9
381.27802	11.9
383.26892	1.0
401.28250	2.5
433.31219	4.6
434.31528	1.4
487.15189	1.1
587.07770	0.9
587.16754	1.6
598.02045	0.9
646.44849	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
53.39777	0.2
55.01855	0.5
55.05503	2.8
57.03416	0.8
57.07065	14.8
59.04984	0.3
62.06052	0.3
65.03936	0.4
67.05495	8.8
69.03412	0.8
69.06716	0.4
69.07056	3.9
70.75246	0.2
71.04974	0.7
71.08617	11.0
71.55901	0.2
75.04454	1.5
79.05478	4.5
80.40674	0.2
81.03403	31.3
81.07040	9.4
82.07377	0.2
83.04972	1.2
83.08604	9.4
85.02895	0.3
85.06522	0.7
85.10170	5.7
86.20358	0.2
89.06027	0.5
91.04907	0.4
91.05466	6.3
93.07023	3.3
95.04952	8.3
95.08588	9.6
97.02885	0.8
97.06491	0.5
97.10139	2.5
98.98462	0.3
99.11690	0.4
105.07008	4.3
107.04926	1.9
107.08563	1.5
109.06490	0.9
109.10133	4.0
111.04393	0.6
111.08081	1.5
115.05403	0.5
117.07003	0.6
119.04932	0.4
119.08559	5.0
121.06501	0.7
121.10118	2.3
123.08057	0.7
123.11675	1.6
124.01560	0.3
128.06158	0.3
129.06967	3.9
131.08543	3.0
131.26224	0.2
133.06509	1.4
133.10092	1.7
135.08060	0.4
137.09579	0.6
137.13257	0.4
142.07765	0.8
145.10077	0.6
147.08022	1.2
147.11638	2.4
149.09605	1.6
151.14754	0.2
155.01006	0.3
155.08418	0.2
157.10094	3.1
163.11285	0.3
165.12735	0.6
169.10110	0.4
175.11127	2.4
193.12199	6.8
213.12714	0.3
221.15289	0.3
236.16403	4.0
239.23689	1.6
249.14867	1.8
267.15961	1.6
282.27930	1.2
313.27463	1.6
505.38797	100.0
506.39099	5.7
514.61078	0.3
603.42590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81699	0.6
55.01882	0.6
55.05486	2.5
57.03419	0.7
57.06821	0.9
57.07064	8.9
59.03709	1.4
65.43710	0.6
67.05493	5.9
69.07050	2.4
71.08616	11.3
71.64864	1.4
74.09665	0.7
79.05469	2.1
80.04996	6.0
81.07040	7.9
82.06550	3.2
83.08605	0.9
84.04487	10.0
85.02893	14.1
85.05270	1.3
85.10174	5.7
86.06067	3.7
87.04466	0.9
91.05449	0.9
93.07024	2.5
94.06588	0.9
95.01294	1.4
95.04932	1.1
95.08579	9.1
97.10136	0.7
98.98492	0.8
102.05527	8.2
105.06989	1.0
106.06525	5.8
107.08582	1.5
108.04440	0.9
108.08102	0.7
109.10146	1.4
110.06036	1.6
112.03982	1.3
113.02331	1.2
118.06516	1.7
119.07247	0.8
119.08556	0.6
121.10135	1.6
122.06012	10.0
130.04979	86.0
131.00241	0.7
131.05389	1.0
134.05948	1.0
135.08012	1.1
135.11641	0.8
148.07565	1.0
150.05515	0.8
155.14293	1.1
164.07094	1.5
164.09453	0.8
180.06558	0.6
192.06613	0.9
199.19789	0.6
206.08086	0.6
206.19009	18.9
206.20920	1.1
208.20576	30.3
218.18965	0.6
220.06036	0.6
234.07567	1.0
234.18491	13.2
234.22049	1.2
235.19296	1.9
236.20102	3.9
246.22115	4.3
248.19986	0.9
251.10255	2.0
260.20074	1.6
264.19687	0.6
274.21634	1.0
276.19537	16.8
278.21271	0.7
290.20935	0.8
291.19415	1.1
291.24268	19.1
291.27438	1.1
302.20911	0.7
315.88419	0.6
318.20697	0.8
320.22043	6.7
335.23300	2.0
337.24765	19.2
360.21622	1.1
360.32657	4.3
362.34073	5.0
372.32645	1.8
388.21228	1.3
388.32019	9.2
390.33578	9.1
405.23950	0.8
414.33704	2.4
445.37830	1.0
446.36185	1.8
474.35760	2.5
489.36923	0.9
491.38370	93.4
492.38593	3.6
499.44418	0.8
502.35223	1.3
516.47675	3.1
519.37799	1.4
616.67792	0.6
628.49658	0.9
645.51892	100.0
646.52429	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	645.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01867	0.9
55.05494	2.4
57.03426	5.3
57.07057	4.0
67.01846	0.7
67.05473	3.2
68.99780	2.3
69.03414	1.2
69.07043	3.3
70.06586	0.6
71.04977	36.3
71.08613	4.4
71.25813	1.4
75.04453	1.6
79.05473	1.3
81.03407	1.3
81.07049	4.3
83.04950	1.3
83.08589	1.2
85.02888	36.4
85.10151	1.4
87.04439	1.0
90.98134	0.5
91.05460	1.0
93.07028	1.4
95.04935	0.8
95.08598	3.5
97.02904	0.8
105.03368	4.1
105.06981	0.7
107.04916	1.0
107.08548	0.7
109.02879	0.6
111.00793	3.0
111.04436	1.1
119.08596	0.7
120.08116	0.5
121.02850	1.1
123.04418	0.8
129.05464	8.2
135.04417	1.3
137.02292	0.6
139.03906	1.0
139.11247	0.5
143.04915	0.5
147.04361	1.9
147.06517	1.0
149.02319	0.7
151.03868	0.6
153.01799	44.6
159.04407	0.5
161.05902	2.9
163.03917	0.8
165.01836	2.0
167.03383	1.0
171.02844	0.7
173.05971	2.3
175.03891	1.4
175.07455	0.7
177.05498	1.3
178.72810	0.5
179.03278	0.5
181.06461	0.8
183.02885	1.2
183.04463	0.6
187.03899	2.1
189.05429	9.2
191.03307	0.9
195.02840	5.0
197.06018	1.3
199.07469	1.1
201.05408	1.9
203.03351	2.2
211.03856	1.0
211.07405	0.6
213.05531	0.7
215.03331	2.9
215.06981	1.0
217.04907	1.6
219.02829	1.5
221.06047	0.6
225.05421	1.0
227.06946	0.9
229.05077	1.5
231.02774	0.8
231.06738	0.5
239.03394	1.1
239.07103	1.0
241.04884	1.2
243.02881	2.7
243.06511	1.1
245.04349	1.0
252.04173	0.7
253.04935	5.8
257.04474	3.3
259.06009	0.7
263.05658	0.7
265.05066	0.8
267.06558	0.8
271.06134	1.4
281.04419	4.9
281.07663	1.2
285.03964	3.1
287.16428	1.0
288.17081	1.3
295.06036	1.5
297.03922	3.4
298.04669	4.4
299.05423	6.1
309.03864	1.5
310.04639	1.7
311.05441	20.1
313.03369	1.5
319.05893	1.3
323.05411	5.4
326.04285	1.7
327.04938	61.9
327.15851	2.2
328.05234	1.1
329.06631	0.8
329.17291	1.8
337.03256	0.7
337.07053	1.1
337.14182	1.2
339.04932	3.3
341.06320	2.6
345.05945	2.2
347.05453	1.4
351.04926	1.2
353.06470	1.7
355.15320	2.3
365.06378	2.1
369.06039	5.2
387.07251	1.3
393.06073	1.1
425.19745	0.7
435.17905	1.5
437.08621	1.0
445.16187	0.8
453.18976	10.6
463.17349	6.5
465.18594	0.7
480.04651	0.6
481.18503	100.0
482.18930	2.3
493.18262	1.0
495.20349	1.5
499.19589	1.0
523.19489	7.2
547.19586	0.6
609.23462	1.3
645.35004	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.0
55.01835	1.3
55.05468	2.5
55.12379	0.8
57.03386	6.8
57.07067	4.9
57.80167	0.7
61.02897	0.9
67.05444	2.2
68.99739	3.0
69.00092	0.7
69.07050	3.7
70.20938	4.3
71.04984	44.7
71.08614	5.8
73.02873	0.8
75.04445	1.7
81.07026	3.8
81.84306	0.6
83.04926	1.8
83.08566	1.5
85.02893	44.0
85.10122	2.0
87.04414	1.0
95.08596	5.5
111.00735	3.2
111.04397	1.3
123.04348	1.7
129.05444	9.7
145.02791	0.6
147.04359	1.6
147.06529	1.9
153.01805	31.7
155.14230	0.8
159.04372	0.9
163.03842	2.8
165.01826	1.5
173.05978	1.4
175.03926	1.2
181.06325	0.8
183.04390	1.3
185.05869	1.1
187.03854	2.0
189.05423	2.6
191.03442	1.7
195.02917	4.6
197.05974	1.6
203.03322	1.9
213.05392	1.1
215.03351	3.3
219.02814	2.1
225.05348	1.2
227.06955	0.9
229.04936	1.3
237.05426	2.3
239.03171	0.9
241.04912	1.4
243.02840	4.0
243.97615	0.7
253.04909	10.0
257.04471	1.3
261.56827	0.6
265.04938	5.4
269.04459	1.1
271.05878	1.3
281.04416	31.8
282.04785	1.2
285.03818	6.0
287.16321	1.5
288.17020	1.3
293.04388	2.1
295.05954	2.0
297.03882	5.5
298.04752	6.8
299.05484	7.5
299.16348	0.8
307.06021	0.8
309.03943	11.1
310.04532	1.2
311.05457	34.7
312.06174	1.0
313.03278	1.9
315.05035	1.1
322.04510	1.0
323.05399	5.7
327.04947	94.1
327.15536	5.3
328.05209	3.1
329.17322	1.7
339.04898	2.6
341.06686	1.4
345.05981	11.3
351.04984	0.9
353.06433	1.7
355.15323	1.6
365.06561	1.1
369.06000	5.1
387.06848	1.7
435.17969	2.8
437.08740	2.1
453.19012	14.1
463.17526	7.8
465.18747	1.1
481.18542	100.0
482.19012	4.8
495.19910	1.4
499.19730	2.5
523.19543	5.5
591.22650	1.0
627.24847	1.0
645.34521	1.9
653.13403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	0.9
55.05470	2.5
55.05702	0.6
55.19519	0.5
55.82569	0.5
57.03428	5.0
57.07066	5.5
61.02871	0.5
67.05492	3.0
68.99755	0.6
69.03380	0.9
69.07059	2.8
70.06560	1.1
71.04977	31.0
71.08622	7.5
71.79360	0.8
73.02850	0.7
74.32143	0.5
75.04430	1.1
79.05439	0.7
79.10291	0.5
81.07040	5.5
83.04936	0.7
83.08578	0.7
85.02890	33.1
85.10177	4.0
86.09679	0.5
87.04417	1.1
91.05462	0.6
93.07011	0.6
95.04953	0.6
95.08584	6.5
97.10120	0.6
105.03333	1.8
107.04923	0.9
109.10146	0.6
111.00737	2.3
121.02789	1.6
129.05466	6.6
137.02277	0.8
137.13177	0.7
139.03889	0.8
147.04343	1.0
147.06445	1.3
153.00624	0.9
153.01802	17.3
155.14262	2.5
159.04247	0.7
161.02306	2.5
161.06007	0.6
163.03845	1.4
165.01793	1.6
173.02266	0.7
173.05891	0.7
175.03908	1.3
181.01111	0.6
183.02765	0.7
187.03831	1.6
189.05435	1.0
191.03288	0.8
195.02858	1.5
199.07440	0.6
203.03363	1.1
211.03964	0.7
215.03381	1.2
217.05028	1.0
219.02802	1.2
225.05435	0.8
227.03352	0.7
229.04898	1.1
237.05441	0.7
242.05661	0.8
243.02803	1.7
245.04417	0.5
249.14841	0.5
252.04216	0.8
253.04857	5.4
265.04886	1.8
269.04501	0.9
270.05148	0.7
271.06006	1.7
281.04385	14.5
285.03918	2.8
295.05893	1.2
297.03854	2.4
298.04651	9.7
299.05423	8.3
309.03906	4.6
311.05450	7.9
313.03430	2.5
315.05063	1.3
323.05530	1.8
326.04086	0.7
327.04938	100.0
328.05319	2.1
339.04837	2.8
340.05530	0.8
341.06549	0.9
343.04514	1.1
345.05917	6.0
351.04990	1.3
353.06616	1.1
365.06522	0.6
369.06006	11.3
393.05984	0.8
396.26465	0.8
401.56580	0.6
404.30411	0.5
419.07626	0.7
435.18118	0.8
437.08624	1.6
453.19067	6.3
455.09879	1.6
463.17535	2.7
473.10779	1.7
481.18509	77.5
482.18854	2.1
499.19565	21.9
513.18134	0.6
523.19409	2.9
541.20313	0.6
591.22211	0.8
609.22852	0.9
627.23621	0.9
645.34021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.5232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.4
57.07050	2.1
67.05493	0.9
69.03412	0.6
69.07050	1.3
71.08620	1.5
71.37386	0.9
79.05443	0.6
81.07036	1.0
85.10167	0.6
86.06041	0.3
87.04449	20.6
89.06015	0.7
92.55843	0.3
93.05761	0.5
93.07027	0.6
94.06552	0.4
95.08572	0.8
106.06541	1.0
107.07308	1.1
118.06525	0.9
120.08098	1.2
121.08836	0.4
122.06001	2.9
124.07543	0.7
133.08662	0.7
135.06790	1.4
135.52054	0.3
148.07533	1.5
162.09007	0.3
206.19035	3.3
208.09650	0.5
208.20415	0.4
216.17480	0.3
218.18988	3.7
220.20522	0.6
232.20494	2.1
234.11313	0.4
234.18498	4.4
235.33630	0.3
236.20004	0.4
244.20609	1.1
245.49550	0.3
245.52156	0.4
246.22121	0.6
248.17490	0.5
248.20052	7.7
256.20932	0.3
260.20102	2.0
262.17792	0.4
262.21588	0.4
276.19489	1.1
276.23059	0.8
292.22577	0.6
294.24213	1.0
322.23807	1.0
326.03519	0.4
342.31409	3.1
360.32538	52.4
361.32404	1.3
362.34174	1.2
376.24738	1.0
388.32104	0.4
404.31622	0.7
446.36212	100.0
447.36618	2.9
448.37799	10.2
474.35925	1.8
490.34875	0.7
499.39194	0.3
540.54681	0.3
644.52234	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	1.2
53.03926	3.5
55.01864	9.1
55.05500	13.7
57.03427	18.6
57.07067	1.8
58.70579	1.0
65.03917	3.2
67.05492	59.9
69.03414	2.4
69.07059	14.4
71.03783	2.1
71.04153	1.8
71.04962	2.4
71.08641	1.0
77.03925	0.8
79.05008	1.3
79.05479	36.8
81.03381	2.9
81.07042	44.4
83.04960	4.1
83.08611	4.7
85.06535	10.9
91.05462	31.5
93.07030	39.2
95.04953	49.0
95.05571	2.4
95.08591	27.1
97.06509	7.0
97.10147	2.2
99.08085	1.8
105.07012	23.4
107.04934	9.2
107.08576	20.1
109.06497	58.0
109.10132	8.8
111.04418	1.3
111.08064	2.0
113.05177	1.4
113.05983	28.7
115.05424	2.3
116.06250	0.9
117.06995	9.8
119.04913	1.4
119.08573	15.0
121.06478	4.6
121.10129	13.0
123.04411	1.2
123.08039	2.9
123.11691	1.7
125.09536	1.6
128.05260	0.9
128.06175	2.3
129.06964	6.3
130.07748	1.3
131.08548	18.1
133.06451	2.3
133.10110	10.1
135.08038	43.7
135.11673	8.2
135.41602	0.9
137.06006	1.7
137.09576	2.2
137.13258	1.0
141.06989	1.6
142.07793	1.1
143.08514	8.8
145.06467	1.9
145.10094	11.2
147.08020	4.6
147.11653	5.5
149.09564	6.2
149.13208	4.4
151.11174	1.8
155.08548	1.6
157.10117	6.1
159.08055	3.2
159.11658	7.0
161.09628	8.2
161.13211	2.0
163.11118	3.4
163.14754	1.5
165.12572	1.1
169.10118	1.2
171.11678	2.3
173.09605	1.6
173.13228	4.4
175.11183	2.4
175.14824	1.9
175.56332	0.9
177.12686	3.2
179.14302	3.4
183.11646	1.1
185.09566	1.1
185.13274	1.9
187.11110	1.2
187.14690	1.5
189.12759	1.2
189.16455	2.0
189.32184	1.0
195.11823	1.3
195.13789	1.8
199.11230	1.3
199.14758	4.1
201.12698	1.3
205.12148	1.1
217.15820	12.1
219.13797	1.2
227.12610	1.6
227.17914	2.0
233.15373	1.8
237.16537	1.1
245.18823	1.5
252.38646	1.1
255.17439	2.8
259.20563	1.4
273.18451	36.5
275.20068	3.5
279.15750	1.5
281.31769	1.0
291.19492	100.0
309.20407	2.2
335.25748	40.0
336.26535	1.2
347.22189	6.8
365.23120	11.6
470.26468	1.0
545.38257	3.3
567.40051	1.8
607.43689	6.6
625.44543	36.9
643.45270	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65662	0.2
55.01854	0.2
55.05504	1.6
55.83710	0.2
57.03410	0.3
57.07075	1.1
58.06593	0.2
59.33241	0.2
61.02915	2.0
63.64766	0.2
65.03944	0.3
67.01849	0.3
67.02618	0.2
67.05491	3.3
68.99774	1.0
69.03393	0.6
69.07046	2.0
69.68012	0.6
69.68444	1.0
71.08608	0.8
73.02891	0.7
79.05476	0.6
81.03402	0.3
81.07041	4.2
84.74112	0.2
85.02888	1.8
85.10170	0.3
86.09694	0.2
89.23203	0.2
91.03919	0.7
91.05454	0.6
93.07018	0.6
95.08591	2.4
97.02882	1.0
105.03387	0.2
105.07001	0.4
107.04957	0.2
107.08559	0.3
109.02839	0.4
109.10106	0.2
111.00788	1.6
115.05425	0.2
116.07058	0.3
121.02904	0.2
123.04414	0.2
123.11650	0.3
127.03909	0.4
129.06999	0.2
131.04916	0.3
137.02301	0.6
139.03867	0.8
141.06926	0.2
145.06505	0.2
147.04398	1.5
153.01801	18.6
153.06914	0.2
154.02191	0.5
155.04890	0.4
157.06499	0.7
159.04425	0.2
161.02249	0.4
161.06006	0.3
163.03889	0.2
165.01810	2.8
165.06949	0.2
169.02829	0.4
169.06459	0.5
171.02948	0.5
171.04391	1.5
171.08080	0.2
172.05057	0.3
173.05933	0.4
175.03853	0.3
179.03384	0.4
181.01329	0.3
181.06519	0.4
183.02869	0.4
183.04367	0.6
183.08020	0.4
184.05286	0.3
185.05948	2.2
186.06668	0.2
187.03889	2.0
189.05476	0.4
195.02795	0.2
195.08075	0.3
197.05923	1.3
199.03862	2.7
199.07550	0.7
200.04500	0.3
201.05438	0.7
202.02646	0.2
203.03394	0.4
207.08009	0.2
209.05888	0.3
210.06682	0.5
211.03885	1.4
211.07498	0.9
213.01865	0.8
213.05367	1.5
215.07014	0.2
217.04944	0.7
221.05975	0.5
222.06897	0.2
223.07445	0.5
224.04651	0.5
224.08362	0.2
225.05423	1.8
225.09052	0.4
226.06192	0.3
227.03340	4.3
227.07008	0.6
228.03755	0.2
229.04948	0.7
231.02943	0.3
233.05649	0.2
235.07494	0.4
235.45554	0.2
237.05431	0.9
238.06136	0.3
239.03360	2.1
239.06982	1.2
240.03899	0.4
241.04991	0.9
243.06689	0.2
249.05495	0.3
251.07062	0.4
252.04230	0.3
253.04929	2.5
255.06506	0.8
257.04382	0.4
263.06876	0.2
265.04922	0.5
266.05606	0.3
267.02798	0.2
267.06448	1.1
267.09720	0.2
269.04395	0.6
270.05170	0.4
271.06055	0.8
277.04959	0.6
278.05542	0.3
279.06476	0.4
281.04388	1.2
281.07571	0.2
281.15350	0.7
282.05194	0.3
283.05966	1.4
283.16776	0.3
287.07083	0.2
290.05774	0.3
291.06497	0.5
291.13712	0.2
293.04410	1.0
294.05170	0.6
295.06021	1.7
297.03821	0.9
298.04605	0.5
299.05341	0.6
305.04413	0.3
306.05194	1.9
307.06073	0.8
309.03860	0.9
309.07544	1.1
309.14856	0.5
310.04718	0.3
311.05441	3.2
311.16400	0.6
313.03522	0.3
315.05417	0.2
319.05814	1.0
321.03931	0.9
322.04718	1.2
323.05457	3.1
323.09229	0.1
323.16324	0.3
325.03394	0.3
325.06979	0.3
326.03873	0.2
327.04938	5.3
328.05447	0.3
332.06598	0.2
333.07626	0.4
334.04691	0.3
335.05472	0.5
336.06076	0.2
337.03326	1.5
337.07104	1.3
337.14175	1.2
339.04938	7.9
340.05548	0.4
341.06689	0.5
347.05600	0.4
349.07281	0.2
350.04233	1.0
351.04874	2.7
351.08643	0.3
351.16000	0.4
352.05716	0.3
353.06534	2.5
361.06973	0.5
363.04520	0.3
365.06375	1.6
366.06976	0.3
367.08041	0.3
375.08353	0.3
377.06573	0.3
379.08087	0.7
379.15353	0.4
381.09653	0.5
393.09644	0.3
407.18390	0.4
417.16809	0.4
419.18658	0.9
435.18011	1.2
445.16821	0.2
453.18896	0.4
463.17441	100.0
464.17770	5.0
481.18506	22.6
482.18896	1.3
505.18591	0.7
529.18024	0.2
539.18756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38516	0.1
53.03917	0.2
55.01819	0.2
55.05499	0.8
57.03407	0.3
57.07069	0.8
61.02913	2.0
61.40890	0.1
67.01833	0.3
67.05495	2.1
68.77895	0.1
68.99784	1.0
69.03417	0.6
69.07056	1.1
70.02586	0.6
71.08614	0.3
73.02904	0.6
74.17810	0.1
77.24566	0.1
78.42311	0.1
79.05483	0.5
81.07037	1.5
83.08589	0.2
85.02890	1.5
91.03938	1.0
91.05434	0.4
93.07009	0.4
94.87235	0.1
95.04881	0.2
95.08588	0.7
97.02869	0.8
98.20695	0.2
99.47208	0.1
105.03345	0.4
105.07001	0.3
107.04926	0.2
107.08549	0.2
109.02835	0.3
109.10114	0.4
109.86375	0.1
111.00778	1.1
119.08525	0.2
120.08042	0.1
121.02842	1.6
121.10062	0.1
122.03156	0.3
123.04376	0.2
123.11683	0.3
127.03851	0.3
131.04893	0.2
133.10103	0.2
135.11769	0.1
137.02298	0.3
139.03865	0.4
145.04909	0.1
147.04356	0.5
153.01797	5.9
153.06886	0.1
155.04881	0.2
157.06483	0.2
159.04353	0.1
161.05917	0.5
163.03891	0.2
164.13307	0.1
165.01802	1.5
165.06995	0.2
169.06442	0.2
171.03001	0.2
171.04416	0.4
171.07962	0.1
173.05882	0.4
173.82831	0.1
175.03868	0.2
179.03360	0.2
181.06500	0.3
183.02861	0.2
183.04350	0.2
183.08023	0.2
184.05156	0.2
185.05942	0.5
187.03896	0.7
187.07497	0.1
189.05453	0.4
191.03307	0.2
195.07980	0.2
197.05968	0.7
198.03014	0.2
199.03856	2.1
199.07504	0.3
200.04622	0.2
201.05463	0.4
201.09055	0.1
203.03337	0.5
210.06750	0.1
211.03838	0.3
211.07515	0.4
213.05443	1.5
213.09030	0.1
215.03410	0.3
215.07019	0.2
216.04153	0.2
217.04936	0.3
221.05930	0.4
221.09590	0.2
223.07585	0.2
225.05453	0.7
225.09009	0.2
227.03371	1.3
227.06940	0.3
229.04979	0.3
231.02893	0.3
237.05443	0.6
237.09401	0.1
239.03369	1.1
239.07030	0.7
240.04076	0.2
240.07866	0.2
240.10233	0.5
241.04938	1.2
241.08412	0.2
241.10602	0.3
243.02852	0.4
243.06487	0.2
245.04337	0.3
249.05405	0.3
250.06108	0.4
251.03294	0.2
251.06985	0.4
252.04167	0.3
253.04904	1.6
253.07693	0.1
253.08617	0.1
254.05502	0.2
255.02869	0.1
255.06464	0.4
257.04462	0.3
261.05667	0.2
263.07034	0.2
265.04984	0.4
266.05658	0.6
267.02798	0.3
267.06488	1.7
267.13821	0.2
269.04416	0.8
269.08099	0.2
270.04877	0.3
271.02390	0.3
271.05978	0.4
273.03958	0.3
277.04932	2.3
278.05655	0.6
279.06476	1.1
280.03574	0.3
280.07037	0.1
281.04407	1.3
281.08047	0.4
281.15268	0.1
282.05237	0.3
283.06137	0.6
284.03168	0.5
285.03882	0.2
290.05728	0.2
291.06516	0.2
293.04443	2.6
294.05008	1.0
295.05978	3.2
295.09210	0.2
297.03888	1.6
297.07520	0.4
298.04654	0.3
299.05371	0.6
299.16031	0.1
301.03400	0.2
303.06268	0.2
305.04321	0.8
306.05176	16.1
307.05869	2.4
308.03201	0.2
308.06528	0.3
309.03891	1.2
309.07227	0.2
309.14694	0.2
310.04486	0.2
311.05444	1.5
311.16452	0.5
313.03574	0.3
313.17886	0.2
315.04926	0.4
319.06036	0.7
321.03845	0.5
321.07428	0.2
322.04691	3.1
323.05450	5.4
323.16357	0.4
324.05826	0.3
325.03357	2.3
325.07071	1.0
326.04001	0.3
327.05038	0.8
329.06699	0.2
329.17438	1.0
333.03970	0.3
333.07449	0.2
334.04639	0.4
335.05475	0.8
336.06082	0.2
337.03366	2.4
337.07047	0.4
337.14203	0.5
338.03806	0.2
339.04980	1.5
341.06613	0.7
347.05325	0.6
349.03253	0.2
349.07272	0.2
350.04144	2.3
351.04929	10.9
351.15851	1.2
352.05444	0.6
353.06488	6.7
353.17273	0.3
354.07068	0.3
357.17151	0.6
361.06964	0.5
363.04941	0.2
365.06400	0.4
365.10382	0.2
365.17380	0.2
367.08057	0.5
375.08383	0.1
379.07846	0.9
379.15158	0.2
379.19287	0.2
381.09500	0.2
393.09564	0.3
395.11124	0.2
397.16321	1.4
407.18524	0.3
417.17114	0.2
419.18484	9.2
420.18884	0.5
421.16586	0.2
435.17975	4.6
436.18399	0.3
445.16470	0.3
453.19019	1.5
463.17432	100.0
464.17819	5.4
481.18509	12.9
482.18985	0.8
495.20395	0.2
505.18808	0.2
529.18286	0.1
645.80145	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	643.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	1.9
57.03429	4.3
62.48233	0.4
65.74388	0.4
68.99757	0.5
69.03383	1.1
69.59636	4.5
70.06545	0.6
71.01308	0.6
71.04978	31.0
71.83437	0.4
73.02873	0.8
75.04430	1.2
79.05455	0.8
81.03377	1.0
81.07024	0.7
83.04915	1.7
83.08578	1.2
84.08099	0.6
85.02891	30.4
86.09703	2.8
87.04406	0.9
91.05418	0.8
95.04933	1.0
97.02879	0.9
98.20711	1.1
99.04372	0.8
100.07561	1.4
100.11228	5.5
105.06982	1.1
107.04937	0.9
109.02829	1.3
111.00745	1.1
111.04415	3.0
112.07589	0.8
113.44911	0.5
121.02798	1.4
123.04404	1.0
123.46821	0.5
125.22311	0.4
127.03866	1.4
128.07031	1.1
129.04675	0.5
129.05464	6.9
134.92720	0.4
135.04349	1.0
137.02316	8.6
137.05940	0.7
138.03082	0.7
140.07021	0.7
145.02740	0.5
147.04337	0.9
147.06448	0.9
149.02315	0.6
153.01807	14.4
153.05437	36.0
155.07053	1.0
161.02258	0.6
163.03868	4.2
165.01810	2.2
166.02531	0.5
167.06912	0.6
168.92908	0.4
177.05400	0.5
179.03389	2.2
182.15384	4.9
183.02837	0.9
185.05916	0.6
187.03815	0.6
195.02736	0.5
195.06517	2.9
201.05482	2.2
203.03296	0.6
205.01283	0.7
207.02864	0.6
209.16351	1.0
210.14827	6.8
213.05545	0.9
217.01315	1.0
217.04884	0.6
219.06328	0.5
223.03795	1.2
225.05428	0.6
226.19258	0.6
228.16020	0.7
229.04951	3.9
237.05371	1.4
237.43114	0.5
239.03285	0.6
241.04916	1.3
245.04506	0.5
247.05910	1.0
251.03360	0.6
253.04778	0.9
257.04385	3.1
265.04898	1.1
269.04446	1.7
271.05923	0.6
273.03876	0.6
281.04401	1.4
283.05948	5.1
285.03857	3.3
285.07111	0.9
287.05048	0.5
297.03928	1.1
297.97433	0.5
298.04318	0.7
299.05124	1.7
303.04941	90.9
304.05408	2.5
305.02777	0.6
313.03412	14.8
313.06595	0.7
315.05005	0.8
315.08441	0.9
325.07101	0.5
327.04953	1.0
329.02872	1.7
329.06491	0.8
339.04889	0.7
345.06021	2.1
347.03961	3.2
349.06924	0.5
355.04346	7.8
367.08173	0.6
377.06592	1.1
387.07007	5.2
395.07431	0.7
399.24893	1.0
405.06085	0.5
413.08563	1.3
423.07031	9.2
431.09818	0.7
447.06943	4.3
449.10666	1.4
465.08173	11.8
471.34232	0.5
481.11252	2.1
497.10724	100.0
498.11041	3.3
502.26367	0.7
531.10547	0.5
578.21979	0.5
581.38928	0.8
625.41571	5.7
643.42389	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	642.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01862	0.7
55.05496	0.8
57.07065	4.0
57.54530	0.4
61.02924	0.6
63.70592	0.5
66.10860	0.4
67.05489	2.1
68.05017	1.9
69.03423	1.9
69.07037	1.4
70.06577	0.6
71.08613	2.0
71.81305	0.5
74.09716	0.4
77.03901	0.4
79.05469	1.8
81.03403	1.3
81.07047	2.2
83.08610	0.9
85.02885	2.6
85.10172	1.7
88.41345	0.4
91.05460	1.8
93.07024	1.7
95.04951	1.4
95.08591	3.0
97.02876	1.2
97.06459	0.6
103.05462	1.1
105.02753	0.5
105.03400	0.9
105.07028	0.6
107.04936	42.1
108.05275	0.9
109.10146	0.8
109.84997	0.4
112.93879	0.4
112.99138	0.4
115.05425	5.9
117.07020	1.2
119.04974	0.5
121.02856	1.2
121.06479	4.2
121.10129	0.6
127.03940	0.4
129.07004	0.4
131.04922	1.5
133.06474	1.4
133.10060	0.6
137.05949	6.6
137.70093	0.4
143.04897	11.7
145.06458	6.2
147.08009	0.6
149.02382	0.6
150.06737	0.5
151.07552	1.1
160.05217	1.0
161.05986	1.2
162.05489	0.7
162.06728	1.4
162.09077	0.5
163.06284	2.5
163.07574	1.4
166.07796	0.6
175.07544	5.6
176.07039	2.6
177.07813	4.4
178.08609	15.7
181.06461	0.6
181.10043	0.6
184.07562	0.6
187.09636	0.5
188.07053	0.7
189.07785	2.8
190.08588	1.7
191.08473	0.9
192.10255	0.9
193.04933	0.8
194.07269	0.7
195.07922	0.6
202.08635	0.5
204.03365	0.4
204.10165	21.6
205.10942	4.7
206.11691	0.8
207.08131	0.9
209.09550	4.1
210.09119	0.6
212.20088	0.4
213.07906	0.6
214.08611	1.7
216.10170	0.6
217.07286	0.8
218.11804	0.5
219.07968	0.9
221.09589	0.6
222.18539	0.8
224.20161	0.6
228.10153	5.6
229.10970	2.5
230.11711	0.6
232.09647	14.3
233.10101	0.6
234.10533	0.7
235.07571	0.8
237.09100	4.6
239.07034	0.7
246.11203	8.3
246.13484	0.6
247.11984	4.4
250.09830	0.8
251.20741	0.4
254.09447	0.8
260.12817	3.5
265.12289	1.0
269.11688	9.8
280.09662	1.0
284.29333	1.0
285.41217	0.5
296.12781	19.7
297.03958	1.4
297.13272	0.8
298.04330	1.1
302.17557	0.9
312.15900	9.5
312.19260	0.8
355.25137	0.8
372.25272	5.7
373.26111	3.7
385.09293	0.9
462.30008	1.1
480.31015	42.0
481.31488	1.8
490.10413	0.5
492.21030	1.2
527.67664	0.5
544.36847	2.0
642.36261	100.0
643.36700	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3884
Annotation	Cilistol j
Peak:m/z	Relative Intensity
53.03926	1.5
55.01860	1.1
55.05502	7.0
57.03428	2.6
57.07054	2.0
59.04992	0.4
59.07877	0.4
61.02915	2.3
64.19616	0.4
65.03918	0.5
67.05492	9.4
68.05817	0.5
68.29056	0.5
69.03417	7.3
69.07053	11.1
69.56196	3.3
69.56615	0.9
70.06561	0.8
71.04964	2.0
71.08617	0.8
73.02888	0.8
79.05480	3.8
81.03404	7.4
81.07039	17.1
82.03728	0.8
82.07375	0.6
83.01314	1.1
83.04961	1.7
83.08598	5.0
85.02888	14.5
85.06525	2.1
86.09682	0.5
87.04430	1.3
91.03944	0.7
91.05458	3.5
93.07016	3.2
95.01292	0.5
95.04966	2.4
95.08585	15.3
97.02863	5.8
97.06507	0.9
97.10153	2.6
98.03194	0.8
99.00790	4.3
99.04427	3.6
105.03361	1.1
105.07003	2.2
107.04945	1.5
107.08573	1.8
109.02858	3.2
109.06477	1.2
109.10146	6.4
111.04433	0.6
111.08077	0.5
113.02404	0.9
113.05997	0.9
115.05357	0.5
117.01813	0.7
117.06977	1.3
119.04929	0.5
119.08559	1.9
121.02794	0.4
121.06442	0.7
121.10100	1.3
123.04399	1.0
123.08075	0.6
123.11695	3.0
125.05939	0.7
127.03861	3.7
129.05447	0.5
129.06969	1.3
130.04970	0.9
130.07355	0.5
131.08527	1.4
133.06493	1.1
133.10088	1.1
134.87035	0.5
135.04416	1.4
135.08055	1.1
135.11658	0.9
137.05949	1.9
137.09549	0.8
137.13205	1.5
137.58902	0.4
139.07532	0.9
139.38274	0.4
143.08473	1.0
145.02792	0.8
145.04977	0.8
145.10095	1.3
147.04395	1.0
147.07973	0.7
147.11665	1.4
149.02313	0.6
149.05922	1.7
149.09557	1.1
151.07497	1.6
153.05415	1.7
155.07019	0.7
157.10066	1.0
161.05949	1.3
161.09570	1.0
163.03874	1.9
163.07513	1.5
163.11115	0.8
165.05464	0.7
165.09085	3.2
165.12791	0.5
167.07016	1.2
171.08034	1.5
173.42975	0.4
175.07494	2.5
175.11197	1.1
177.05440	6.2
177.09100	1.5
181.04927	10.8
181.06361	0.4
183.06488	3.4
189.09068	12.1
190.09476	0.5
191.07018	1.9
191.10643	1.3
193.12172	1.5
194.12628	0.6
195.06494	24.0
196.06906	0.5
199.06058	0.5
203.10611	2.5
205.08589	1.3
205.12135	0.9
207.06506	1.3
209.08044	12.1
209.10013	0.6
211.13271	1.0
212.13391	0.6
213.05473	1.1
217.08676	0.5
219.10040	0.8
221.07983	1.4
223.09612	16.4
231.13748	0.5
233.07965	0.6
235.09630	2.7
237.11162	20.8
241.04869	0.9
249.11172	13.0
251.12674	5.1
263.12729	4.5
265.14322	2.7
267.16040	1.0
269.04337	2.3
271.05905	0.8
277.14236	2.7
279.15967	1.5
289.14206	0.5
291.15790	1.8
291.84122	0.5
293.17450	1.9
297.03854	13.9
298.04260	1.1
300.48660	0.5
303.05026	0.5
305.17422	1.7
307.18951	3.9
317.17365	0.5
319.18997	3.4
331.18954	0.5
333.20435	1.3
347.22223	0.6
375.25363	0.7
377.26926	0.5
379.24960	0.6
407.18335	0.6
443.31470	4.8
449.08795	1.0
461.32562	100.0
462.32907	4.2
479.33624	54.8
480.34201	2.1
489.10199	3.0
623.38391	5.1
641.15460	2.4
641.39575	14.4
642.14551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12349	1.4
53.03933	7.4
55.01865	8.1
55.05498	21.9
55.06060	1.6
55.38102	1.4
57.03424	13.1
59.04978	3.4
65.03926	5.2
67.05493	81.6
69.03417	19.0
69.07056	14.0
71.01349	1.6
71.04983	46.4
71.80869	2.7
73.02896	1.7
79.05483	38.7
81.03407	100.0
81.07043	43.6
82.07368	1.8
83.04963	22.4
83.08601	24.0
85.02898	22.7
85.06531	5.5
89.41663	1.6
91.05467	46.3
93.07028	32.8
95.04950	32.4
95.08595	18.2
96.08891	1.5
97.02865	12.9
97.06499	7.9
97.10176	8.4
99.04455	6.0
99.08064	2.1
105.03392	7.9
105.07016	21.9
107.04913	12.0
107.08568	19.9
109.02863	18.3
109.06469	7.8
109.10136	46.8
111.04440	12.2
111.08061	10.4
113.05964	1.7
115.05388	5.1
117.06990	5.0
119.04930	3.2
119.08558	29.3
121.06483	8.7
121.10120	15.8
123.04403	5.0
123.08041	4.1
125.09595	7.9
127.03873	9.2
129.05473	4.6
129.06940	11.8
131.08546	13.3
133.06487	5.6
133.10120	15.3
135.08005	2.4
135.11670	16.5
137.05965	1.7
137.09583	14.6
141.06985	2.4
142.07742	2.9
143.08534	4.2
145.06444	2.9
145.10107	8.7
147.08067	2.7
147.11650	11.3
149.06012	2.3
149.09593	6.4
153.01823	1.5
155.10606	1.8
157.06386	2.1
157.10081	12.7
159.11707	2.7
161.05869	2.7
161.09633	2.5
163.03876	3.6
163.11098	10.3
165.12775	4.3
169.12227	2.4
169.83557	1.8
173.04510	9.5
173.09502	2.7
173.11693	13.8
175.11156	13.5
177.05484	2.4
181.12231	5.8
183.13878	1.7
187.13324	3.7
189.11209	3.7
189.12779	2.1
191.10619	2.5
193.12221	33.0
195.13832	1.9
196.00974	1.9
211.13264	45.8
217.12231	2.6
227.12807	5.0
229.14313	2.0
231.13718	2.1
235.13251	2.3
240.10017	2.3
243.15970	2.5
249.14911	3.5
253.14378	2.2
255.15900	4.2
267.15857	20.6
269.04385	5.4
269.17368	2.6
271.06027	2.9
273.14822	2.2
277.21631	1.6
285.16989	9.7
287.18613	3.4
289.14282	1.8
297.03885	38.6
298.04282	3.6
299.18387	3.3
301.14331	5.5
303.16251	1.7
307.15408	1.9
319.15656	2.6
325.16348	4.6
329.20825	2.2
337.16788	2.2
381.18976	4.5
393.18982	4.6
399.20294	2.2
403.24554	3.2
413.21558	4.0
421.25757	21.9
437.28754	2.4
439.26855	17.1
447.21573	2.2
447.27390	25.7
449.08731	2.7
453.28400	10.4
461.19092	1.9
461.28433	3.3
463.26825	2.5
465.28323	8.8
479.29727	3.6
489.10440	8.4
497.30994	18.5
513.29120	2.5
529.27692	3.3
543.36597	8.2
547.28546	3.2
561.31134	1.8
573.30469	4.3
591.31311	9.9
609.32684	17.4
623.34436	14.3
641.14563	6.6
641.34589	49.6
641.45923	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05509	1.5
57.03413	0.3
65.03939	0.5
67.05484	3.1
69.07043	1.9
70.17330	0.3
71.04975	0.4
71.78914	0.5
78.38847	0.3
79.05479	2.2
81.03411	1.0
81.07043	3.7
82.36248	0.3
83.04975	0.7
83.08609	0.6
83.15176	0.3
84.04462	0.4
85.02855	0.4
85.36301	0.3
86.09688	0.5
91.05457	3.3
93.07026	2.2
95.04953	0.6
95.08597	1.9
97.06525	1.7
97.10112	0.4
105.07012	3.1
107.04948	0.9
107.08588	1.8
109.06509	0.5
109.10151	0.6
111.08019	0.4
117.07018	0.7
119.08556	2.0
121.10087	0.7
123.04406	0.5
128.86687	0.3
129.07019	0.4
131.08554	1.5
133.10051	1.5
135.11656	0.6
143.08472	0.3
145.10110	1.1
147.11688	0.6
149.09596	0.6
155.08522	0.3
157.10080	0.4
159.11751	0.5
161.13260	0.4
163.11160	0.7
171.11603	0.3
172.14838	0.3
179.14317	0.8
193.12210	0.3
200.98900	0.3
201.13121	0.3
204.06606	0.3
213.05515	0.5
213.10240	0.4
225.10155	0.6
237.10318	0.3
237.14014	0.3
239.11792	0.5
249.10376	0.4
251.11829	0.5
257.19043	0.4
266.24780	0.4
269.04507	0.7
275.20016	4.0
297.03870	5.8
314.12885	0.5
325.15536	0.5
328.14417	0.5
330.15833	0.3
344.17679	0.4
349.23758	1.9
352.14517	0.3
376.16742	0.4
377.17435	0.4
389.17575	0.5
391.19147	0.8
392.19797	0.7
402.18509	0.3
404.16360	0.9
405.16571	0.6
405.20914	1.0
406.21774	1.4
407.22629	0.4
418.17548	1.6
419.18167	1.6
420.23349	0.8
421.24149	0.5
432.19489	1.5
433.20245	3.4
434.20874	2.4
435.21704	1.1
437.19739	0.7
445.20270	0.9
446.16751	0.7
447.17844	1.5
447.22086	1.4
448.22629	1.1
449.24274	1.4
451.21527	0.5
460.23212	0.4
461.19507	9.9
462.20145	3.7
463.20911	1.3
464.19189	0.5
465.19321	1.3
467.24481	2.0
475.21121	1.4
476.21994	2.4
477.23038	3.8
478.19968	0.4
479.21030	1.0
480.21606	1.3
489.10217	1.4
489.22601	1.1
490.23096	0.4
493.21964	1.5
494.22803	3.6
495.23889	1.7
503.24417	0.6
505.22000	0.5
506.22757	0.4
507.23828	0.6
508.24094	0.6
520.24457	0.8
521.21924	1.1
521.25580	0.9
533.21332	0.6
534.25726	0.4
535.27856	1.4
538.25891	0.4
539.23669	0.5
540.27301	0.4
543.36841	1.2
547.27441	0.4
548.23846	2.7
549.24951	1.3
553.28015	1.6
563.26434	7.1
564.26453	1.0
576.23785	0.4
580.25598	0.5
581.27545	9.8
582.27875	1.1
593.23755	0.3
608.26251	1.5
609.24536	0.5
613.26550	0.5
623.28394	3.3
623.43304	1.2
624.27795	0.6
641.29541	100.0
642.29865	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	641.2961
Annotation	Crooksiine
Peak:m/z	Relative Intensity
65.27781	0.1
65.51869	0.2
71.08621	0.2
71.40479	0.3
81.07043	0.3
93.07062	0.2
95.08625	0.2
97.02869	0.2
105.06969	0.2
213.13878	0.2
223.91008	0.2
225.10353	0.2
249.10287	0.3
297.04041	0.6
314.12927	0.3
377.17551	0.6
378.18121	0.4
379.19220	0.9
380.19629	0.2
385.09430	0.3
390.18134	0.4
391.19501	1.2
392.20023	0.9
393.16861	0.2
393.20889	1.8
394.21341	0.2
395.22296	0.5
405.16473	2.0
405.21021	0.7
406.17096	1.2
406.22186	0.4
407.18265	0.9
407.22760	3.3
408.23489	0.8
417.20776	0.2
418.17444	0.4
419.18359	2.9
419.23389	0.4
420.19177	2.1
421.20206	4.8
421.25177	0.3
422.20792	0.7
423.21652	1.0
432.19641	0.3
433.15280	0.3
433.20224	4.6
434.21152	4.2
435.21918	7.1
436.22397	1.7
447.22464	1.6
448.17874	0.3
448.22687	0.7
449.19458	7.4
450.20117	1.2
461.23569	0.6
462.20593	0.6
463.21021	3.1
464.22092	1.9
465.19290	0.7
465.23590	0.2
466.23807	0.3
467.24500	0.7
468.25327	0.3
475.21042	0.3
476.22162	0.4
477.23111	1.1
479.20087	1.1
480.21597	0.7
481.21899	1.8
482.22250	0.3
489.23016	0.2
490.23926	0.2
491.24197	0.3
493.21695	2.0
494.22885	2.9
495.23727	3.4
496.24673	0.5
507.24069	2.0
508.24432	0.4
509.25491	0.5
520.25208	0.2
521.25629	9.9
522.25879	1.1
523.26910	0.6
524.27130	0.2
525.24548	0.2
526.25763	0.5
535.23486	0.6
539.22198	1.2
543.36340	0.2
549.24902	0.8
551.26367	0.4
553.25842	0.7
554.24420	0.3
563.26624	1.1
567.26025	0.4
581.27539	20.2
582.27924	2.4
595.26367	0.3
609.27203	0.6
610.27594	0.3
612.26385	0.2
613.29852	0.3
623.28467	0.3
626.26971	0.2
641.29608	100.0
642.29828	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	641.1492
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
52.22251	0.2
53.03934	0.4
55.01871	0.3
55.05497	0.8
57.03418	0.4
57.07069	0.2
61.01130	0.4
61.02922	0.2
63.02374	0.4
66.21664	0.1
67.05492	1.8
68.99767	0.2
69.03413	1.9
69.07044	0.8
70.06571	0.3
70.92397	0.5
71.04993	0.4
71.06110	0.2
72.04492	0.4
73.02901	0.3
76.55885	0.1
77.00603	0.3
78.03786	0.5
78.04691	0.3
79.05465	0.3
81.03403	3.7
81.07047	2.7
83.01313	0.1
83.08603	1.2
85.02889	2.2
85.06522	0.4
86.06052	8.6
86.09711	0.3
87.02668	1.3
89.03902	5.4
90.03758	0.2
91.05476	0.7
93.07048	0.7
95.04965	0.5
95.08589	3.7
95.34562	0.2
97.02876	0.9
97.06529	0.2
97.10151	0.6
98.06033	1.3
99.04443	0.8
100.54531	0.2
101.04225	0.5
102.03745	1.1
103.05437	0.3
105.03320	0.2
105.06991	0.3
106.04169	0.3
107.08575	0.7
109.02856	1.7
109.10146	3.0
111.00767	0.3
111.04464	0.2
113.04235	0.2
113.05971	0.2
113.09686	0.1
114.03777	0.2
115.08684	3.3
117.03359	16.9
118.03171	0.3
119.04904	0.4
119.08510	0.2
120.04797	0.6
121.02849	0.7
121.10111	0.5
123.04424	0.4
123.11691	0.7
124.05169	0.4
124.07560	0.2
125.07108	0.6
127.03901	1.6
130.08609	0.2
131.04893	0.2
131.06348	0.4
132.04785	0.4
133.10141	0.7
134.03601	1.1
134.96713	0.2
135.04402	1.8
137.02328	0.8
137.05969	0.2
137.09637	0.2
139.03807	0.2
142.08591	1.0
144.04630	0.2
145.02820	48.3
146.03162	0.5
147.04387	0.6
147.05832	1.1
147.11732	0.2
149.05957	6.6
149.07381	1.4
151.03883	0.2
153.01767	0.9
158.05972	0.5
161.05919	0.2
162.03046	0.2
163.03883	2.1
165.01807	0.5
173.05934	0.2
177.05437	100.0
178.05769	0.9
181.04895	0.2
183.02914	0.3
184.09682	0.3
186.05461	2.2
189.94492	0.1
191.14268	0.4
195.06471	1.0
197.13571	0.3
201.05438	0.4
205.04875	0.2
210.84096	0.1
213.05382	0.5
215.14624	0.9
225.16640	1.4
227.14012	0.2
229.04883	0.9
241.04889	0.4
243.17743	0.7
257.04404	0.7
259.05991	0.3
265.12219	0.2
269.04431	1.8
271.05881	0.6
285.03873	0.5
287.05396	0.6
297.03876	9.0
302.03943	0.2
303.04938	18.3
304.05374	0.3
309.03928	0.2
313.23022	2.9
317.06412	0.4
317.26776	0.2
321.09634	6.1
322.09775	0.2
327.05023	0.4
331.24051	2.0
339.10669	4.5
349.25143	17.7
382.09476	0.2
391.25821	0.4
423.10318	0.2
431.07581	0.3
434.90799	0.2
443.29330	0.3
449.08420	0.6
457.26831	0.2
461.30374	4.0
489.10214	1.8
511.23190	0.2
511.30399	3.5
616.35443	0.2
623.35822	1.6
641.14709	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05502	1.3
56.05032	0.2
57.03428	0.4
57.07065	0.2
61.01130	0.6
63.02371	0.5
65.03931	0.3
67.05494	2.6
68.99780	0.3
69.03420	1.1
69.07053	0.9
70.06571	0.3
71.04980	0.9
71.06107	0.4
71.08150	0.3
71.08489	0.2
72.04491	0.8
73.02912	0.4
77.00581	0.3
78.03777	0.7
79.05463	0.4
81.03399	1.0
81.06586	0.3
81.07042	3.4
83.08608	1.6
85.02887	2.2
85.06541	0.3
86.06053	9.9
86.09693	0.2
87.02676	1.8
89.03893	4.8
90.03761	0.4
91.05450	0.7
93.03393	0.2
93.07008	0.8
95.04928	0.6
95.08590	5.0
97.02885	1.0
97.10158	0.5
98.06049	1.9
99.04430	0.6
101.04208	0.5
102.03745	1.5
103.03924	0.3
103.05442	0.5
105.03374	0.4
105.07018	0.3
106.04171	0.4
107.08583	1.0
108.24560	0.2
109.02842	1.1
109.10143	3.5
111.00800	0.5
111.04469	0.2
111.08015	0.2
113.04250	0.4
113.05955	0.2
114.03730	0.4
115.08672	4.0
116.07061	0.2
117.03359	18.8
118.03178	0.4
119.04949	0.2
119.08561	0.2
119.92291	0.2
120.04768	0.7
121.02837	0.8
121.10117	0.4
123.04413	0.3
123.11677	1.1
124.05116	0.2
125.07119	0.5
125.09617	0.3
127.03934	1.3
127.05643	0.2
128.06171	0.2
130.03238	0.2
130.08659	0.3
131.04979	0.2
131.06320	0.6
132.04704	0.3
133.10112	1.4
134.03606	1.3
135.04404	1.7
135.11728	0.2
137.02330	2.1
137.05943	0.4
137.09575	0.4
137.13120	0.2
141.06644	0.3
142.08626	0.9
143.06404	0.4
145.02821	49.6
146.03137	0.9
147.04416	0.8
147.05838	1.7
147.11620	0.2
149.02344	0.4
149.05956	6.4
149.07396	1.6
149.13217	0.3
151.03912	0.4
153.01802	2.0
155.04881	0.2
158.06020	0.4
161.06038	0.3
163.03868	2.2
165.01791	1.1
165.16493	0.5
166.02414	0.2
173.05959	0.2
177.05437	100.0
178.05785	1.6
183.02850	0.5
184.09671	0.6
186.05469	2.1
191.14262	1.0
195.06560	0.4
201.05464	1.2
205.04947	0.2
213.05389	0.3
215.14603	1.9
225.16617	0.9
229.04878	2.9
241.04851	0.3
243.17714	2.3
245.22391	0.2
247.05927	0.5
257.04428	1.7
260.20584	0.2
261.07660	0.4
265.12064	0.2
267.02576	0.2
269.04507	0.8
271.06088	0.4
274.04700	0.5
279.08536	0.4
281.24774	0.2
285.03885	0.6
287.05603	0.3
295.02341	0.6
297.03857	4.2
303.04944	52.9
304.05243	1.4
313.22937	1.4
313.67950	0.2
321.09515	1.2
331.24115	3.7
339.10699	8.6
340.11099	0.3
345.05844	0.3
349.25131	21.5
391.26019	0.6
393.04993	0.2
421.05530	1.9
443.29312	0.5
449.08527	0.4
457.27203	0.2
461.30380	4.5
475.28281	0.3
489.10092	0.9
493.29416	0.3
495.08847	0.3
511.30426	5.9
511.37946	0.3
623.35754	1.8
641.13867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65927	0.1
64.11123	0.2
65.37621	0.2
67.05470	0.2
68.99760	0.2
69.03387	0.1
71.21341	0.5
83.04964	0.3
85.02867	0.2
91.05403	0.3
95.04929	0.2
111.04394	0.3
119.04917	0.9
123.04400	3.2
125.78484	0.2
139.19893	0.2
147.04384	2.3
157.06419	0.2
163.03795	0.5
165.05368	0.2
173.28246	0.2
179.35042	0.2
185.05949	0.4
195.04347	0.5
195.61856	0.2
197.05986	0.2
199.03815	0.3
213.05417	5.2
217.04887	0.7
223.03799	1.3
227.03333	0.6
229.08521	0.2
241.04909	5.3
243.06509	0.9
251.03545	0.3
253.04880	0.1
255.06485	0.4
259.05969	3.1
269.04395	16.9
270.04840	0.6
271.05951	8.0
272.06485	0.5
281.04120	0.4
283.05893	0.4
285.03879	1.1
293.04263	0.4
297.03870	100.0
298.04315	2.1
299.05377	0.2
301.06934	0.7
303.04871	0.7
309.03830	2.1
311.05493	0.7
327.01352	0.3
327.04919	3.0
339.04797	0.6
341.81253	0.2
357.07755	0.2
403.07794	0.2
413.06857	0.2
423.06674	0.1
423.10822	1.4
431.07468	2.6
449.02341	0.3
449.08591	6.2
450.08972	0.2
465.72351	0.1
467.09607	0.7
489.10202	23.7
490.10803	0.5
623.13708	0.3
641.14899	24.2
642.14795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60212	0.1
68.99771	0.3
69.03404	0.2
71.06224	0.5
83.04926	0.3
85.02842	0.3
91.05433	0.2
93.03316	0.2
95.04921	0.2
95.32961	0.1
119.04879	0.4
123.04398	2.6
139.05397	0.4
147.04364	1.6
157.06487	0.2
163.03831	0.5
167.04875	0.2
171.04330	0.1
185.05894	0.5
189.05510	0.2
190.48990	0.1
195.04337	0.5
197.06004	0.2
199.03867	0.2
199.07652	0.2
213.05443	4.9
215.06729	0.2
217.04959	0.7
219.02661	0.1
223.03844	1.0
227.03294	0.6
229.04916	0.2
241.04903	5.3
243.02850	0.2
243.06548	1.4
244.09564	0.3
251.03445	0.3
255.06519	0.2
258.05463	0.2
259.06000	2.4
269.04398	17.7
270.04846	0.6
270.56323	0.1
271.05960	8.1
272.06540	0.5
283.05948	0.4
285.03894	1.0
293.04425	0.5
297.03879	100.0
298.04260	2.7
299.05356	0.3
301.07001	0.9
303.04953	0.2
309.03900	2.0
311.05457	0.6
315.05042	0.2
327.04922	2.0
339.04956	0.5
379.16425	0.2
385.07129	0.2
405.09531	0.3
423.10602	1.3
431.07520	2.1
449.08615	5.9
467.09799	0.9
471.09061	0.2
489.10214	22.9
490.10571	0.7
623.13684	0.3
641.14905	18.9
642.15265	0.9
645.16492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61972	0.1
67.05459	0.1
68.99754	0.3
69.03388	0.2
70.39578	0.4
73.68195	0.1
81.03372	0.1
81.83401	0.1
83.04920	0.2
85.02859	0.3
86.09680	0.1
91.05421	0.1
91.13191	0.1
93.03332	0.1
95.04918	0.2
97.02829	0.1
103.82108	0.1
103.86524	0.1
107.98676	0.1
109.02809	0.2
111.04391	0.2
119.04929	0.7
123.04406	2.6
127.03840	0.2
135.04356	0.1
139.05391	0.2
145.04938	0.1
147.04375	1.2
157.06456	0.1
163.03845	0.2
165.05417	0.2
167.04840	0.2
167.59630	0.1
169.06322	0.1
171.04311	0.2
173.33786	0.1
177.05360	0.1
185.05904	0.4
191.14200	0.1
195.04370	0.7
199.03804	0.3
209.15312	0.1
213.05426	5.7
214.05876	0.2
215.06859	0.2
217.04929	0.5
219.02661	0.1
223.03899	0.9
227.03372	0.8
241.04922	5.6
242.05223	0.2
243.02821	0.4
243.06537	0.6
251.03365	0.2
252.04143	0.1
253.04971	0.1
255.06548	0.3
257.04327	0.1
259.06015	1.9
261.82590	0.1
269.04398	18.1
270.04803	0.8
271.05969	5.7
272.06573	0.3
281.04358	0.2
283.05942	0.4
285.03949	1.0
285.07028	0.2
287.05582	0.1
293.04376	0.3
297.03873	100.0
298.04218	3.2
299.05435	0.3
301.06851	0.6
303.04959	0.5
309.03888	1.3
311.05399	0.8
327.04910	2.1
339.05011	0.4
378.58798	0.1
385.07095	0.2
405.09787	0.1
413.06586	0.2
423.10629	0.8
431.07480	2.1
449.08633	4.8
450.09006	0.1
467.09586	0.5
471.09402	0.2
489.10202	25.4
490.10443	0.9
641.14893	23.6
642.15295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4315
Annotation	Sporidesmolide I
Peak:m/z	Relative Intensity
55.05505	1.9
57.07053	1.1
58.06590	6.0
64.90444	0.3
67.05494	0.6
69.07047	0.6
70.06565	0.4
72.07754	0.6
72.08144	11.1
73.06548	1.7
79.05474	0.6
81.07038	1.2
83.04961	1.7
84.08132	0.5
86.09692	22.1
93.07008	0.3
95.04932	0.4
95.08571	0.5
98.06020	0.5
98.09689	0.4
100.11239	100.0
100.79500	0.3
101.06003	2.0
101.11572	0.8
105.06998	0.4
107.08552	0.3
109.10129	0.5
126.09155	0.3
128.10707	0.5
134.80577	0.3
140.14323	3.4
143.08139	0.4
145.10168	0.3
146.11769	2.1
154.12234	1.8
154.15912	0.9
172.13289	2.5
173.41014	0.3
182.11841	0.3
200.12865	0.4
200.16452	1.5
210.14755	0.3
211.14532	0.3
214.14410	0.9
228.15927	7.5
229.47568	0.3
268.18909	0.3
269.23721	0.3
280.39902	0.3
282.44382	0.3
285.21713	4.8
299.23257	7.3
313.21371	0.5
327.22742	13.1
367.25662	0.4
395.25406	1.6
412.31915	0.4
427.28470	0.4
440.31091	3.0
458.32269	6.6
484.33917	1.2
512.33459	0.9
526.35077	1.1
611.43683	36.6
612.44244	1.7
621.41901	0.4
639.43176	16.6
640.43109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.0
55.01861	9.7
55.05503	25.9
57.03433	17.1
57.07059	2.3
61.02909	2.6
65.03945	2.0
67.05131	3.0
67.05495	59.5
67.14206	2.5
68.05013	5.7
69.03411	21.0
69.07075	11.0
70.06581	3.1
70.37976	3.9
70.38373	10.1
71.04979	7.7
71.08616	3.1
73.02908	3.5
74.09744	2.3
79.02684	2.1
79.05481	46.5
81.03407	100.0
81.07040	51.9
83.04969	35.8
83.08607	20.5
84.04492	2.4
85.02892	17.4
85.06535	2.1
86.06056	21.9
91.05466	69.4
93.07028	46.8
95.04951	32.9
95.08599	24.2
97.02884	17.3
97.06525	7.9
97.10174	5.3
97.19635	2.2
99.04434	5.1
99.08073	3.1
103.05398	2.5
105.03397	2.3
105.07018	40.2
107.04939	23.1
107.08584	15.6
109.02843	11.2
109.06506	9.4
109.10135	9.9
111.04427	11.5
111.08053	9.7
115.05427	4.0
117.07006	9.4
119.04899	4.7
119.08566	26.9
121.06519	6.1
121.10126	13.6
123.04420	3.3
123.08025	4.7
123.11729	3.8
123.63400	2.3
125.09618	3.6
127.03906	10.6
129.05476	3.7
129.06982	21.4
131.04880	2.3
131.08556	17.6
132.06537	2.6
133.06453	6.5
133.10104	27.2
135.08066	3.7
135.11658	6.6
143.08510	5.2
145.06477	3.9
145.10112	11.1
147.08034	6.7
147.11659	23.4
149.06006	2.4
149.09602	9.0
153.12706	2.8
155.08546	3.9
157.10129	18.7
158.10530	2.6
159.11679	4.0
163.03894	5.6
163.11166	10.5
165.12729	3.5
169.09785	3.9
173.04404	4.3
173.09642	3.3
173.11778	2.3
175.11153	19.3
181.12189	3.8
182.12524	2.0
184.67125	2.4
187.03908	2.8
191.10641	3.9
193.12209	40.5
197.09294	10.3
199.11095	3.5
203.65341	2.1
210.18564	2.8
211.13283	29.4
225.08664	17.2
227.12758	8.9
245.11337	8.6
249.14905	4.1
267.15891	84.8
268.16269	3.0
269.17526	4.6
283.15356	8.2
285.16968	8.3
301.14059	2.2
304.94385	2.6
339.17999	2.0
358.16034	3.7
429.20581	6.9
459.27353	85.0
460.27502	4.7
469.19238	4.3
477.28406	30.0
603.30676	3.1
603.77466	2.4
621.32379	29.9
622.33069	2.9
639.30609	25.1
640.32800	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	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01865	5.9
55.05501	17.8
57.03424	9.5
59.04983	0.9
64.56365	0.5
65.03924	2.7
67.05492	23.5
69.03411	12.5
69.07051	7.2
70.60648	1.6
71.01329	0.7
71.04978	5.7
73.02885	0.8
77.03940	0.8
79.05006	1.0
79.05476	24.4
81.03403	100.0
81.07040	27.8
81.07528	0.8
81.07764	0.7
81.18725	0.6
82.03740	0.8
83.01331	0.5
83.04964	21.0
83.05465	1.1
83.08604	22.6
84.05301	0.5
85.02890	20.5
85.06527	2.2
87.04473	0.7
91.05464	30.2
93.07029	19.9
93.07635	0.6
95.04949	29.0
95.08580	10.8
97.02872	15.0
97.06517	5.1
97.10138	6.3
99.04436	4.6
99.08073	1.6
103.03961	1.2
103.05450	1.7
104.01875	0.5
105.07008	22.1
107.04929	8.5
107.08572	10.2
109.02855	16.4
109.03597	0.7
109.06498	5.7
109.10127	4.9
111.04420	12.5
111.08059	11.3
113.05997	2.3
115.05447	1.9
117.06998	4.6
118.66905	0.5
119.04910	1.3
119.08560	19.8
119.09389	1.2
121.02824	0.8
121.06491	4.4
121.10121	11.8
123.04435	1.9
123.08044	3.2
123.11718	3.2
124.09113	0.5
125.05976	1.6
125.09581	3.7
127.03887	7.5
127.07504	0.9
128.06271	0.5
129.05472	2.1
129.06982	11.5
131.04909	1.3
131.08537	12.6
133.06459	3.6
133.10100	9.4
133.10997	0.9
135.04364	0.7
135.08029	1.9
135.11665	3.4
137.06010	1.3
137.09616	1.8
141.06975	0.9
142.07770	2.2
143.08516	1.3
145.02809	1.1
145.06468	1.6
145.10100	4.1
147.04393	1.7
147.08003	3.9
147.11656	19.9
149.05963	1.8
149.09599	7.4
149.13283	0.7
151.03830	0.7
153.09125	0.8
153.12758	2.9
155.08569	1.3
157.06517	0.7
157.10094	13.1
159.04395	0.7
159.08058	1.1
159.11723	0.6
161.05951	1.0
163.03979	0.5
163.11156	5.5
165.05418	0.6
165.12738	5.2
169.10078	0.6
171.08078	1.2
171.11691	1.4
173.04469	2.1
173.05885	1.0
173.09610	1.3
175.11159	13.6
175.12631	0.9
177.05496	1.5
177.12758	0.6
179.16469	0.6
181.10049	0.6
181.12210	4.0
183.06599	0.7
185.06058	0.7
189.05412	0.6
189.11174	1.4
189.12714	1.0
191.10664	4.1
193.12207	41.4
194.12424	0.6
199.11237	0.6
201.05714	0.5
207.13774	1.1
209.11693	0.9
211.13254	62.3
212.13620	1.3
213.12782	0.8
215.06924	0.5
217.12256	0.7
223.13249	0.7
227.12642	5.7
229.14305	1.7
231.13939	1.0
235.13341	1.1
249.14883	2.1
250.11644	0.5
255.13828	0.7
259.13324	1.1
265.14325	0.9
267.15878	25.1
268.16104	0.6
273.14868	3.5
277.14453	1.2
283.15408	1.9
285.16971	14.7
286.04718	2.1
289.14413	1.0
291.15979	1.0
301.07034	5.3
301.14172	5.2
309.17032	1.0
313.16476	0.8
319.15417	2.5
331.08139	0.8
337.16537	3.4
351.17880	0.6
355.17682	5.0
367.22678	2.0
375.17984	1.8
385.23666	3.6
393.19080	3.4
403.24942	1.5
411.20117	6.7
429.21033	4.7
438.54456	0.5
441.26617	0.6
459.27399	11.4
477.28424	16.5
478.28937	0.9
495.29480	16.0
496.29651	0.6
501.28281	1.0
511.29312	1.2
519.29565	0.8
543.29553	0.9
561.30688	1.6
573.30621	1.5
585.30524	3.3
603.31470	3.3
621.32501	15.9
639.33575	52.3
640.34015	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01865	6.0
55.05500	17.8
57.03426	8.1
57.07056	0.7
57.54945	0.7
65.03928	1.4
67.05128	1.2
67.05491	23.2
68.53958	0.7
69.03415	11.8
69.07053	6.8
69.51506	0.6
71.01346	0.8
71.04980	5.6
71.33022	0.8
71.33360	1.5
79.05011	1.2
79.05479	24.7
81.03404	100.0
81.07040	28.2
82.03734	1.8
83.04964	17.2
83.08604	21.3
84.08962	0.8
85.02374	0.9
85.02889	16.5
85.06539	1.8
91.05462	27.7
93.07031	17.8
94.07350	0.7
95.04951	29.0
95.08587	9.5
96.05302	0.6
97.02872	14.0
97.06526	4.4
97.10141	7.2
98.21374	0.6
99.04424	3.8
99.08075	0.8
101.02325	0.7
103.03868	0.8
103.05479	1.0
105.07008	23.2
107.04945	9.6
107.08575	9.3
109.02866	15.9
109.03614	1.1
109.06497	4.3
109.10118	4.9
111.04417	10.1
111.08067	10.4
113.06020	2.2
115.05434	2.2
115.83485	0.6
117.06994	4.2
117.75710	0.7
119.04903	1.2
119.08566	18.7
120.08889	0.9
121.06458	4.0
121.10109	10.7
123.04425	2.4
123.08064	3.1
123.11701	1.8
125.02361	0.9
125.09616	5.6
126.09948	0.6
127.03860	6.2
128.06174	0.9
129.05498	2.5
129.06967	11.8
131.04970	1.0
131.08540	10.8
133.06465	3.8
133.10098	10.1
135.04428	1.0
135.08080	1.1
135.11713	2.8
137.05954	0.7
137.09622	2.4
141.06935	0.7
142.07782	2.0
143.08524	1.8
145.02779	0.6
145.06487	1.7
145.10130	4.3
147.04445	1.9
147.08070	3.4
147.11664	14.5
149.06021	0.7
149.09607	6.2
151.11177	0.7
153.09053	0.7
153.12769	2.7
155.08585	0.7
157.06538	0.7
157.10104	13.4
158.10484	0.9
159.08031	0.7
159.11670	0.8
161.05960	0.8
163.03851	3.7
163.11154	5.3
165.05531	0.9
165.12700	4.7
167.08617	0.9
173.02386	1.4
173.04486	2.1
173.05977	1.1
173.09610	1.3
175.11140	12.8
177.12820	0.9
181.06252	0.7
181.12244	3.2
183.08044	0.7
183.13777	0.7
185.06047	1.0
185.13280	1.0
187.03918	1.9
187.07619	0.8
187.81917	0.7
189.11192	0.9
189.12682	1.2
191.10715	3.0
193.12210	38.9
194.12585	1.7
199.03914	1.3
209.11586	1.6
211.13258	56.0
212.13637	2.4
213.05441	1.4
213.12759	0.8
227.12685	6.7
228.13113	0.7
229.12357	0.9
229.14412	0.9
231.13795	0.9
235.13387	1.1
237.12733	0.9
240.02708	0.7
249.14906	1.4
255.13841	1.0
259.13193	1.0
267.15881	25.0
273.14923	1.6
277.14542	0.9
283.15463	2.6
285.16949	14.8
286.17471	1.1
289.14362	1.0
291.16052	0.9
301.14017	4.2
309.17126	1.5
313.16626	0.9
319.15442	2.9
337.16635	3.6
355.18192	4.1
367.22861	2.2
375.18002	1.5
385.23566	4.1
393.19016	4.1
403.24792	1.5
409.80844	0.7
411.19965	5.5
429.20724	5.7
441.26611	0.9
459.27405	10.7
460.27893	1.2
477.28412	15.2
478.28979	1.2
495.29425	18.8
496.29871	1.0
501.28625	0.9
543.29053	0.8
547.26709	1.2
561.30347	1.1
565.27850	1.2
567.29926	1.2
573.30505	1.8
585.30670	3.1
591.31635	1.3
603.31702	5.4
621.32458	15.8
622.33325	0.9
624.24286	0.7
639.33508	46.2
640.34045	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	639.2801
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05508	0.6
56.80741	0.2
67.05498	1.3
69.07048	0.4
71.79035	0.3
79.05477	1.1
81.07044	1.1
83.04967	0.4
91.05473	1.2
93.07038	1.2
95.04950	0.5
95.08589	0.9
97.06519	0.4
105.07027	1.2
107.04971	0.4
107.08569	0.6
109.06471	0.3
109.10136	0.4
117.06959	0.4
117.17221	0.3
119.08590	0.3
121.10091	0.3
129.06972	0.3
133.10086	0.6
138.80629	0.2
145.08824	0.3
145.10037	0.4
147.11639	0.4
151.03947	0.3
179.14180	0.3
181.10049	0.3
183.09114	0.2
191.34871	0.2
206.27946	0.3
227.12529	0.3
249.10408	0.3
266.24631	0.5
275.19968	0.6
283.10870	0.3
291.19595	0.4
302.12900	0.2
315.54752	0.2
328.14340	0.4
356.13730	0.3
377.17633	1.0
379.19220	0.5
389.17621	0.5
390.18628	0.7
391.19540	1.3
392.20044	0.7
393.20886	1.4
394.21490	0.4
404.15695	0.4
404.20474	0.3
405.16095	1.8
405.20874	1.2
406.17889	1.2
407.22525	3.8
408.22864	0.5
417.21036	0.4
418.17197	1.3
418.22412	0.4
419.18112	3.6
419.23373	0.4
420.18979	2.0
421.20282	3.5
422.20737	0.5
423.21756	0.7
431.18649	0.4
433.20190	10.7
434.21082	4.3
435.21976	5.5
436.22977	1.3
437.23291	0.4
445.20367	0.3
446.20929	0.3
447.22672	1.7
448.23227	0.4
449.19589	5.7
450.20468	0.7
461.19479	0.9
462.20358	0.5
463.21689	2.3
464.22171	1.7
465.22903	1.8
466.23413	0.7
468.18939	0.3
475.21295	0.3
476.21777	0.5
477.18652	0.4
478.19803	0.5
479.20154	1.5
491.20349	1.7
492.21280	4.1
493.21933	4.6
505.22134	2.6
506.23065	0.6
507.23724	0.8
519.23981	1.1
520.24658	1.0
521.25507	7.6
522.25732	0.7
523.26941	0.7
524.23621	0.4
535.23395	0.5
537.21625	0.8
541.39221	0.3
548.23419	0.5
549.24701	0.7
551.27350	1.1
561.24756	0.3
565.24384	0.9
567.26239	0.4
579.25934	20.5
580.26373	2.5
581.27710	2.4
607.25677	0.9
621.41278	0.3
639.28009	100.0
640.28314	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	639.2802
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01844	0.3
55.05490	0.6
57.01596	0.2
57.19341	0.2
65.47590	0.2
67.05488	1.0
69.07057	0.7
69.63887	1.9
71.19260	0.2
79.05489	0.6
81.03379	0.3
81.07045	0.8
83.08628	0.2
91.05463	0.5
93.07036	0.7
95.04919	0.4
95.08592	0.6
105.07018	0.7
107.08565	0.7
117.19332	0.2
119.08589	0.4
121.10127	0.2
131.08617	0.2
133.10056	0.3
154.96840	0.2
183.02856	0.2
209.10742	0.2
211.08772	0.2
213.10236	0.3
225.10228	0.3
227.11938	0.3
237.10352	0.3
239.11864	0.3
251.11804	0.4
275.20044	0.5
291.19666	0.4
312.14703	0.3
314.12704	0.2
315.25061	0.5
340.14862	0.3
342.15952	0.3
356.13757	0.3
356.17664	0.3
377.17563	0.3
379.19489	0.4
391.15298	0.5
392.16434	0.4
393.16956	0.7
393.21179	0.4
405.16940	0.6
406.17795	0.8
407.18463	1.8
408.19159	0.3
414.17792	0.3
415.19595	0.2
417.17398	0.5
419.14053	0.3
419.19247	1.2
420.15152	0.5
420.19598	0.8
421.20349	4.7
422.20984	1.4
423.21643	0.6
431.18927	0.4
432.19916	0.5
433.20209	1.1
434.16510	1.2
435.17249	2.3
435.22842	0.7
436.22922	2.0
445.16418	0.8
446.16504	0.4
447.22733	1.2
448.18130	1.8
449.19653	8.4
450.20291	2.5
451.21255	0.4
459.18173	1.0
460.18851	0.7
461.19754	1.0
462.20383	0.7
463.21475	4.5
464.22104	4.6
465.22955	1.4
474.20282	0.6
475.21436	2.3
476.18250	0.4
477.18845	5.0
478.19778	1.8
479.20819	0.9
491.21008	0.9
492.21317	1.0
493.22324	1.0
495.23611	0.7
503.20874	0.3
505.22339	0.5
507.24832	1.1
509.26205	0.3
519.23657	0.5
521.22113	0.4
523.22870	1.6
524.24268	0.4
533.21289	1.2
534.23901	0.3
535.23419	2.7
536.23969	1.4
537.21716	1.2
549.20996	0.5
550.26031	1.2
551.26520	3.1
561.24805	3.5
563.22369	0.6
564.23474	4.4
565.24316	2.4
579.25903	6.4
580.26263	0.5
581.24164	0.9
592.22705	0.4
593.28162	0.4
595.25439	2.4
596.26117	0.9
607.25519	0.5
610.27350	0.8
621.26978	4.6
621.37103	0.3
621.41528	0.3
622.26624	0.6
624.25702	4.2
639.27979	100.0
640.28290	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	639.2804
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.44280	0.3
57.07074	0.4
67.05491	0.8
69.07037	0.3
69.49339	2.3
69.49745	0.8
71.08619	0.3
81.07049	1.0
91.05453	0.6
93.07044	0.5
95.08582	0.6
98.21407	0.5
98.67250	0.3
105.07043	0.6
109.10162	0.4
112.07568	0.6
147.11597	0.4
147.78477	0.3
209.10689	0.5
211.12305	0.4
221.10712	0.4
223.12277	0.7
229.30324	0.3
235.12312	0.4
237.13904	0.8
274.27222	0.3
284.22296	0.9
297.12390	0.4
300.14938	0.4
312.14786	0.4
313.15683	0.3
314.16605	0.3
326.16522	0.5
328.18057	0.5
338.16632	0.4
340.17953	0.4
352.18228	0.5
353.68384	0.3
354.15823	0.3
354.19778	0.3
368.17294	0.4
372.17102	0.5
375.16476	0.6
377.17538	1.9
378.18649	0.9
385.17844	0.4
386.18375	0.4
388.18027	0.5
389.18106	1.0
390.18317	1.6
391.19174	4.8
392.19839	3.3
393.21136	1.1
403.19403	1.5
404.19980	1.8
405.20660	9.2
406.21402	4.7
407.22275	12.6
407.27832	0.6
417.20972	1.6
418.21420	0.9
419.22363	5.0
419.27536	0.4
420.23087	4.5
421.23819	16.9
422.17584	1.1
422.24661	3.8
423.17914	0.5
429.21164	0.5
430.18433	0.4
431.18558	1.0
431.23221	0.4
433.24304	3.8
434.24945	1.7
435.17847	1.6
435.25336	1.4
436.18762	2.0
437.19901	0.5
445.20331	1.2
446.20496	0.4
447.21133	1.1
447.25671	1.5
448.26270	0.4
449.19763	1.3
449.27090	1.0
450.20612	2.1
450.27255	0.5
451.21262	14.0
452.21942	3.4
459.21765	0.8
460.22412	1.0
461.23776	1.5
463.21426	1.3
464.22159	1.3
465.22830	18.6
466.23450	2.5
467.37292	0.9
473.19891	1.3
475.20850	1.3
475.25323	1.2
476.25830	0.6
477.22382	1.5
478.23691	1.5
479.24255	1.7
487.21021	2.4
488.22079	2.6
489.22293	0.5
491.20889	1.5
491.25684	0.5
492.21188	1.2
492.25192	1.1
493.26077	2.3
501.22675	2.0
502.23392	1.1
503.24368	13.9
504.24991	1.0
505.25983	0.6
507.20206	0.6
507.27512	10.7
508.28055	3.2
519.24274	0.6
523.23444	3.4
525.25391	0.3
533.25378	1.0
535.27014	15.3
536.27325	1.1
537.24902	9.6
538.25189	0.5
549.20947	0.4
551.26416	5.5
552.27234	16.6
553.27771	0.8
561.24976	4.2
562.25677	0.9
579.25970	7.2
580.26312	2.5
593.27399	1.3
595.29059	5.7
607.25348	0.5
621.26990	16.8
622.27411	0.9
639.28040	100.0
640.28333	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.191
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
53.03924	0.2
55.01851	0.3
55.05486	0.4
57.03419	1.5
59.04986	0.1
60.04512	1.8
61.02895	0.4
65.03909	0.2
67.05492	0.3
69.03413	1.6
69.07088	0.1
71.00908	0.3
71.01264	0.1
71.04977	8.5
72.05288	0.1
73.02894	0.3
74.06006	0.1
75.04477	0.6
79.05464	0.2
80.05011	0.1
81.03407	1.0
81.07026	0.3
83.04954	0.4
85.02887	12.5
86.03215	0.2
87.04426	0.3
91.03928	0.3
91.05443	0.2
92.02600	0.3
93.03366	0.4
93.07013	0.1
95.04921	0.2
95.08591	0.2
97.02875	1.2
99.04450	0.6
103.03912	0.4
104.04223	0.1
107.08553	0.2
109.02862	0.7
109.10150	0.1
111.04434	0.3
121.02838	0.5
123.04318	0.1
127.03893	1.1
128.04218	0.1
129.05441	2.5
140.04649	0.6
141.32700	0.1
145.04936	0.8
147.04330	0.2
147.06473	0.7
151.03899	0.7
152.38152	0.1
153.05417	0.6
159.04263	0.1
163.03882	0.2
167.03366	6.0
168.03673	0.2
169.78607	0.1
177.05418	0.2
179.03383	0.3
180.04089	0.1
197.04428	0.1
214.06192	0.1
215.06940	0.3
217.04958	0.4
231.06470	0.5
232.07281	0.5
233.04387	0.1
242.05663	0.8
243.06447	1.9
245.04385	0.4
256.03497	0.2
259.05920	0.6
260.06778	1.4
270.05389	0.1
271.05936	1.3
274.04642	0.2
275.09070	0.2
287.05411	1.5
288.06244	3.0
289.06747	0.2
298.04648	0.4
299.05411	2.2
300.05872	0.2
302.07739	0.2
314.26761	0.3
315.27148	0.2
316.05710	10.1
317.06131	0.6
331.08041	100.0
332.08392	4.7
332.27756	0.6
333.28391	0.6
479.66022	0.1
493.13181	0.3
638.37537	0.7
639.37976	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1698
Annotation	Isoscoparin 2''-O-ferulate
Peak:m/z	Relative Intensity
53.03931	0.1
55.05491	0.2
57.03429	0.1
60.04514	1.2
63.02337	0.1
67.05484	0.4
68.99788	0.2
69.03404	0.4
69.07041	0.2
71.04978	0.1
71.58847	0.2
79.05470	0.4
81.03403	1.6
81.07029	0.5
83.04955	0.2
83.08590	0.1
85.02882	0.6
89.03894	1.1
91.05450	0.4
93.07014	0.4
95.04931	0.2
95.08585	0.3
97.02862	0.3
99.04421	0.3
103.03922	0.3
104.07135	0.1
105.06985	0.2
107.04901	0.1
107.08566	0.3
109.02885	0.5
109.10146	0.1
117.03368	3.7
117.07001	0.1
117.17793	0.1
119.08559	0.1
120.41912	0.1
121.10100	0.2
125.06027	0.1
127.03887	0.6
129.01717	0.1
131.08531	0.2
133.10153	0.2
134.03629	0.2
135.04407	0.3
135.11642	0.1
136.11920	0.1
145.02824	10.5
147.04358	0.1
147.11572	0.1
149.05956	1.7
149.09645	0.1
151.03902	0.5
151.04883	0.1
153.01794	1.9
155.57004	0.1
156.86020	0.1
163.03862	0.2
171.02821	1.0
175.03873	0.8
177.05441	31.1
178.05815	0.3
186.05501	0.4
191.10631	0.1
193.12172	0.2
195.06459	0.3
201.05417	0.2
212.16335	0.2
217.04919	0.1
229.04933	0.3
230.17503	0.1
255.06412	0.4
258.05209	10.3
259.05753	0.3
267.15771	0.3
269.04297	0.1
286.04666	31.4
287.05087	0.6
301.07010	100.0
302.07355	1.7
314.26755	0.4
321.09641	1.9
321.56866	0.1
332.27921	0.6
333.28238	0.2
339.10687	1.7
343.08020	0.2
358.20160	0.1
429.19077	0.1
463.12292	0.1
477.28143	0.1
508.05533	0.1
620.36237	0.1
638.37390	0.8
639.16895	0.6
639.37299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01863	0.7
55.05502	2.6
56.05025	3.6
57.03428	2.1
57.07047	0.5
58.06582	0.6
60.04514	68.3
61.02914	1.1
65.03934	0.4
67.05492	7.8
67.05835	0.6
69.03418	8.9
69.07059	3.6
70.06561	1.6
70.25681	1.4
71.04980	2.4
71.17625	0.4
72.04506	2.4
72.96469	0.3
73.02897	1.8
74.06059	3.0
79.05479	5.0
80.05019	0.7
81.03403	8.4
81.07039	7.9
82.06570	1.3
83.04971	1.2
84.04499	1.3
84.08127	0.5
85.02890	24.5
86.06046	2.1
87.04475	0.8
90.05538	1.2
91.05447	3.5
92.05806	0.4
93.07025	5.3
94.06555	1.3
95.04979	1.5
95.08593	6.7
96.04507	0.4
96.08127	0.8
97.02878	9.5
97.06516	0.9
97.10156	0.8
98.06025	0.9
99.04440	13.3
99.08042	0.4
100.07578	0.4
101.02355	0.7
102.05522	1.5
103.03926	16.9
104.07092	1.6
105.07018	2.5
107.08577	3.9
107.73210	0.3
108.08096	0.3
109.02863	10.6
109.10134	3.7
111.04467	0.5
112.07594	0.6
115.03917	0.6
116.07106	0.8
117.06967	0.8
119.08555	1.7
121.06489	0.7
121.10131	3.0
122.09630	0.6
123.08130	0.4
123.11712	1.2
126.05518	0.4
126.09145	0.5
127.03894	29.0
131.08522	1.0
133.10118	1.4
134.05977	0.5
135.11662	2.1
137.09566	0.3
137.13269	0.4
142.08652	0.4
145.04930	6.4
145.10095	0.8
147.04420	0.6
147.11671	1.3
149.07452	0.8
149.13217	0.8
152.07091	0.7
159.11723	0.4
160.07396	0.3
161.13235	0.5
163.03867	0.8
163.05977	2.4
163.14813	0.4
169.05011	0.7
175.14824	0.4
186.07617	0.4
187.05952	2.1
187.07410	0.3
205.07062	0.5
206.10327	0.5
248.23692	0.7
252.23305	0.4
253.06973	0.4
260.23727	1.7
261.22162	0.6
266.24612	0.5
271.08127	1.2
278.24753	5.7
296.25800	7.0
297.03934	0.4
307.10379	0.8
314.26828	12.5
317.06677	0.4
332.27887	44.6
333.28375	0.8
347.23697	1.6
350.14117	0.3
356.28149	0.5
368.15305	1.0
374.28934	2.1
404.28195	0.3
407.00659	0.3
509.28967	0.7
566.33173	0.4
576.37225	0.6
584.34277	1.4
602.35181	1.3
620.36298	4.8
638.37354	100.0
639.37866	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72554	0.8
53.03937	8.1
53.86778	0.7
55.01863	9.3
55.05501	23.9
57.03427	8.6
57.07065	1.3
59.04993	3.3
65.03932	2.3
67.05493	29.0
69.03419	17.6
69.03770	1.5
69.07059	7.5
70.92172	0.8
70.98393	1.8
71.01336	2.1
71.04981	7.1
73.02913	1.1
79.05479	36.8
81.03403	100.0
81.07041	30.3
81.07527	1.4
81.75141	0.7
82.03751	1.6
83.01320	4.4
83.04965	24.3
83.08606	18.7
85.02891	16.5
85.06524	2.1
87.04446	1.2
91.05467	29.5
93.07027	30.0
95.04947	20.1
95.08579	13.0
96.05311	0.9
97.02878	18.8
97.06513	8.8
97.10150	6.9
98.55957	0.7
99.04441	7.2
99.08052	1.3
101.02338	0.8
103.05484	1.2
105.07012	19.0
107.04942	13.7
107.08574	16.7
109.02857	18.6
109.06506	6.1
109.10138	6.0
111.04421	17.7
111.08060	9.3
113.06023	1.9
115.05446	2.3
117.06986	8.3
119.04900	1.0
119.08568	16.3
120.08890	0.6
121.02804	1.0
121.06494	5.7
121.10124	12.4
123.04432	2.9
123.08051	5.6
123.11694	1.6
125.05991	2.0
125.09612	5.1
127.03890	12.6
129.05464	1.9
129.06984	8.7
130.07762	1.8
131.04886	1.0
131.08559	8.8
133.06471	2.8
133.10114	7.2
135.04413	2.0
135.08022	3.3
135.11668	11.4
137.05977	1.1
137.09612	2.1
141.06981	1.2
142.07782	2.6
143.08542	2.0
145.06453	1.4
145.10092	13.2
147.04370	1.4
147.08061	3.7
147.11661	9.7
149.05954	1.6
149.09584	5.6
153.12703	10.7
155.08563	2.3
157.06534	1.2
157.10094	7.0
158.10376	0.9
159.07881	0.9
159.11668	0.9
161.05969	1.4
161.09712	0.8
163.03839	1.3
163.11154	19.8
164.11488	0.8
165.05524	0.8
165.12784	2.4
170.32607	0.8
171.08034	1.1
173.04468	2.1
173.05923	0.9
173.09608	3.5
175.11157	8.7
181.12190	10.1
183.06631	0.8
185.09709	1.0
187.03935	0.8
189.11255	2.9
191.10625	7.3
193.12227	24.6
197.09644	0.9
209.11670	6.5
211.13251	43.4
217.76549	0.8
223.13347	1.2
227.12720	15.4
227.14659	1.1
229.14423	1.0
231.13911	1.1
235.13109	0.8
247.13179	0.8
249.14865	2.2
255.13788	0.9
265.14337	4.6
267.15869	8.1
273.14877	1.6
283.15436	12.4
285.17020	3.7
289.14313	1.7
301.14197	1.6
309.17130	0.9
319.15335	1.2
320.09091	0.8
326.34525	0.7
335.14832	0.9
337.16440	2.9
353.15930	4.4
355.17725	6.2
375.18234	1.3
383.22021	3.7
391.17291	1.2
393.18881	1.5
401.23163	0.9
409.18622	1.8
411.20111	6.1
414.00949	0.8
427.19650	1.9
457.25690	3.6
475.26831	10.6
493.27832	16.5
509.27261	1.0
559.28760	0.8
563.28387	1.2
583.29065	1.2
601.30420	1.5
619.30914	7.8
637.32031	82.6
638.32263	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	637.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	1.2
67.05494	1.8
69.07041	0.8
81.07034	1.1
84.05654	0.5
93.07670	0.6
101.38680	0.7
105.07034	0.9
107.12023	0.7
108.64438	0.6
109.10129	0.9
117.30793	0.6
143.43254	0.6
158.41277	0.6
176.54871	0.8
195.80681	0.6
297.43481	0.7
299.41803	0.6
391.19208	1.9
399.16171	0.8
400.16858	0.8
401.17804	1.0
403.19458	0.7
404.20578	0.8
405.20703	3.2
406.21478	3.0
410.76257	0.7
413.17929	1.2
414.18405	1.3
415.19345	3.5
417.20840	1.3
419.22464	1.4
420.22910	3.1
421.23840	7.6
421.76898	0.8
427.19467	1.2
428.19891	2.1
429.20746	7.6
430.21793	1.4
431.22809	0.9
433.20004	1.7
433.24817	1.1
439.25986	4.8
443.22626	4.9
444.23224	3.2
445.19568	3.1
446.20770	1.0
447.17606	1.2
457.23843	2.6
458.24841	4.2
459.21811	4.6
460.22818	3.7
461.19360	6.1
465.35809	1.5
470.21201	1.3
471.21909	1.0
472.22794	3.8
473.23865	1.8
475.20813	3.1
476.21835	5.3
485.23386	10.3
486.19321	1.0
486.24307	2.2
487.21378	0.9
488.21646	3.3
489.22583	0.9
499.21042	1.1
500.22150	1.4
502.23492	1.4
503.24289	14.7
513.22864	2.6
514.24280	0.9
517.25897	7.2
519.23743	0.9
529.25977	2.0
535.26965	19.5
545.25415	59.5
546.25751	1.4
563.26276	4.2
573.24829	13.6
577.27979	0.8
605.27521	54.7
606.28198	1.9
637.30121	100.0
638.30420	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	0.3
62.50343	0.2
71.25758	0.3
71.26096	0.6
93.06984	0.3
96.14986	0.2
103.11358	0.2
116.01760	0.2
133.10126	0.3
168.43645	0.2
174.21840	0.2
209.10684	0.4
389.17703	0.2
391.19113	0.5
401.17810	0.5
402.18607	0.3
403.19250	1.0
404.20413	0.3
405.20938	0.6
414.18674	0.3
415.19482	1.4
416.20270	0.6
417.16074	0.4
417.21396	1.8
418.21756	0.5
419.22653	1.5
420.23132	0.4
428.16061	0.3
429.17154	0.9
429.21713	0.4
430.17169	1.8
431.17853	2.5
431.23419	0.6
432.18665	0.7
432.23154	1.2
433.20056	0.5
433.24506	0.3
441.21786	0.3
443.18036	1.9
444.19113	2.2
445.20020	8.3
446.21118	2.5
447.21979	1.1
448.22913	0.3
457.20163	0.9
458.20883	7.5
459.21646	6.2
460.22696	5.9
461.19385	3.4
462.20285	0.5
472.22574	0.5
473.23169	0.8
475.21112	1.9
476.22037	1.3
477.22757	2.2
486.20001	0.3
487.24658	0.8
489.23572	0.5
490.24057	0.6
491.24295	1.6
502.23962	0.3
503.21384	0.9
504.25357	0.6
505.21576	1.2
517.21429	1.2
518.22980	5.0
519.23358	0.4
530.23425	0.5
531.23932	0.8
532.24622	0.6
533.25470	3.0
535.23120	1.5
545.25500	2.8
546.26202	2.4
547.26489	0.7
549.25323	0.7
560.24445	0.5
562.25977	0.5
563.26575	0.5
573.24805	1.1
577.28259	3.0
590.25305	0.5
592.26776	0.5
605.27527	14.7
606.27954	1.3
637.30103	100.0
638.30396	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	637.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05461	0.7
57.99762	0.5
59.45225	0.4
65.89709	0.5
67.05439	1.1
69.07034	0.6
81.06976	0.9
90.53519	0.5
93.06934	0.9
95.08509	0.8
96.74268	0.5
98.20698	1.0
109.10080	1.0
210.35208	0.5
212.47641	0.5
280.75793	0.6
337.19495	0.6
363.16351	0.6
377.17480	0.8
378.18558	0.7
386.15277	1.2
387.16190	1.1
388.17603	1.0
390.19107	0.7
391.19095	1.1
392.19952	1.2
393.20709	2.6
398.16440	0.9
399.16119	1.6
400.16916	2.5
401.17603	3.3
403.19653	0.7
405.20865	1.0
407.22165	2.4
411.16537	0.6
412.17194	0.6
413.17709	3.0
414.18393	3.9
415.19272	9.1
416.20132	1.4
417.20807	1.2
421.20032	2.2
425.17633	0.7
425.70068	0.5
427.19574	1.5
428.20465	3.0
429.21143	7.4
430.21329	1.6
431.18628	1.1
435.21680	2.1
436.22504	0.7
441.17014	1.7
442.17877	2.0
443.18356	3.5
443.22626	3.1
444.18396	3.9
445.20126	1.8
455.18716	0.8
456.19568	0.9
457.20447	5.9
458.21094	3.1
461.19650	0.8
462.20486	0.7
469.16260	0.8
471.22195	6.6
472.23279	4.4
473.19351	4.2
474.20413	1.9
484.18890	0.8
485.19769	3.4
486.20468	4.7
487.21381	2.4
488.21677	1.5
489.22852	1.1
490.20123	2.3
499.21292	11.6
500.22595	2.7
502.19647	0.6
503.24557	4.6
513.19269	1.4
514.19775	1.0
516.21777	1.1
517.22229	4.2
527.20660	3.1
528.21729	1.0
531.23804	13.4
543.24243	1.3
549.24780	0.7
559.23285	85.5
560.23584	4.6
587.22736	14.0
588.22974	0.8
619.25378	100.0
620.25543	5.0
637.26428	15.8
637.37555	0.9
637.41486	0.9
641.88177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
57.07065	1.4
57.93269	0.8
67.05522	1.1
71.82150	1.1
79.25354	1.0
81.07059	1.2
90.88351	0.8
91.05463	6.0
93.07032	10.0
95.04969	2.4
103.05449	6.9
118.71925	0.8
121.06484	100.0
122.06837	1.4
159.18716	0.8
164.07111	1.4
165.19357	1.0
242.11877	1.3
276.19556	29.1
277.19836	1.2
383.24515	1.6
388.31696	1.2
390.33612	10.2
396.25281	44.6
397.25775	3.1
508.37769	1.2
509.38434	1.2
510.39499	4.2
636.53412	96.1
637.53772	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	637.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
57.07061	0.8
67.05499	2.0
69.07047	1.0
71.08625	0.6
81.07039	1.8
89.06012	0.8
91.05482	0.7
93.07042	1.3
94.93844	0.6
95.08606	0.9
96.08786	0.5
109.10126	0.6
113.20221	0.6
114.43605	0.6
119.08577	0.7
131.08611	0.6
140.76085	0.6
141.65421	0.6
219.24188	0.5
227.12943	0.7
235.12148	0.6
269.78830	0.6
278.99551	0.6
316.57535	0.6
349.26950	0.6
362.16953	0.7
375.16821	0.8
377.17764	2.6
378.18497	1.1
380.67746	0.5
386.15430	0.9
389.17462	0.8
391.19260	2.6
392.19876	1.9
393.20706	4.2
394.85919	0.6
399.16263	1.3
400.16898	2.6
401.17746	2.3
402.18466	0.9
403.19073	0.8
404.20309	0.6
405.20969	1.5
407.22220	4.6
413.17636	1.9
414.18671	2.7
415.19424	5.3
416.19980	0.7
417.21118	1.3
419.18826	2.0
421.20020	4.9
425.17764	1.0
427.14771	0.8
427.19714	1.1
428.19928	2.3
429.21353	6.0
430.21783	1.6
433.20706	0.9
434.20923	1.0
435.21420	3.8
436.22540	1.0
441.17072	0.9
442.17667	1.0
443.18182	1.9
443.22470	3.0
444.19345	2.4
445.20306	2.3
446.21155	1.5
447.17444	1.4
447.22574	1.1
448.18924	1.1
457.20679	3.9
458.21042	2.1
459.18253	2.0
460.18686	0.7
461.19940	2.1
462.24597	0.6
463.20844	1.4
469.16519	0.7
471.22150	5.1
472.23093	3.4
473.19214	4.5
474.20496	2.6
476.17868	0.7
484.18628	0.8
485.19968	4.2
486.20465	4.3
487.21249	2.2
489.18878	2.0
489.23441	2.1
490.19583	3.6
491.20898	2.0
499.21216	8.6
500.22064	3.5
501.18555	1.4
502.19958	0.8
503.25601	3.3
513.19238	6.1
514.19873	1.6
516.21289	1.9
517.22369	11.9
518.22900	1.6
521.25159	1.3
527.20648	2.0
528.21570	1.3
529.22394	1.7
531.24371	10.0
532.23907	1.1
539.39441	1.2
543.23792	1.4
545.21564	1.3
549.24963	6.5
559.23340	50.6
560.23700	4.4
577.24365	2.8
578.25134	1.5
587.22839	8.4
591.26208	2.7
605.23840	5.8
619.25409	56.8
620.25769	4.8
637.26489	100.0
638.26782	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	636.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.6
53.03917	2.1
55.01863	2.9
55.05259	1.0
55.05498	11.5
57.03425	11.1
57.07063	1.0
59.04980	3.4
61.02911	5.0
63.24500	0.5
65.03912	2.3
67.05492	63.9
68.05813	0.6
69.03416	6.1
69.07053	4.9
69.26575	0.5
71.01339	0.8
71.04987	4.7
73.02891	1.9
79.05017	0.6
79.05477	14.3
81.03403	45.5
81.07040	21.3
81.07528	1.0
83.01295	0.7
83.04967	10.2
83.08603	18.3
85.02887	16.9
85.06553	2.6
85.60177	0.5
87.04465	0.9
91.03938	1.3
91.04901	1.0
91.05467	20.1
93.06485	1.0
93.07028	14.0
95.04949	16.5
95.08593	11.3
97.02865	6.8
97.06509	3.5
97.10149	3.3
99.04419	1.8
99.08081	1.5
103.05444	0.7
105.03415	0.6
105.07011	12.5
107.04944	5.5
107.08564	6.9
109.02856	3.4
109.06495	3.9
109.10138	55.6
110.10461	1.1
111.04420	4.3
111.08063	10.3
113.05985	1.8
117.06988	2.2
119.08558	15.5
121.02808	0.6
121.06470	2.3
121.10113	7.1
123.04409	0.6
123.08029	2.8
123.11703	1.5
125.02367	0.6
125.05981	0.7
125.09595	2.2
127.03865	3.6
127.11163	1.1
128.06178	0.7
129.05484	0.6
129.06982	6.4
131.04877	0.7
131.08543	7.8
133.06456	2.2
133.10106	5.9
135.04346	0.6
135.08011	0.8
135.11696	3.5
137.09583	3.1
142.07710	1.0
143.08481	0.5
145.06432	0.8
145.10114	3.0
147.08017	2.0
147.11667	9.6
149.09618	4.8
151.11157	1.0
153.12698	2.3
155.10606	3.3
157.10100	8.0
161.05948	0.7
162.11777	0.5
163.11151	3.8
165.12732	2.1
173.04439	1.0
173.11705	15.8
173.13196	1.1
175.11124	7.9
181.12216	1.1
189.11092	0.8
191.10646	1.4
193.12210	26.3
209.11726	1.0
211.13258	39.1
212.13634	0.7
227.12756	2.4
229.14310	58.7
230.14677	1.4
249.14868	0.8
267.15869	13.8
283.15381	1.8
285.16910	30.4
301.14313	0.8
317.24594	0.8
335.25797	2.5
353.26865	1.7
371.27841	0.7
403.24731	1.5
411.18994	0.7
421.19955	0.9
421.25729	17.0
439.26849	100.0
440.27237	4.9
457.26114	1.3
475.26923	3.5
493.27866	2.3
501.61993	0.6
583.31073	0.9
619.30627	1.5
636.30133	1.8
637.32086	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	636.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
55.01855	2.6
55.05258	1.1
55.05500	10.8
57.03430	10.0
57.07065	0.7
59.05001	3.7
60.48174	0.7
61.02916	4.5
65.03924	1.3
65.19655	0.6
67.05493	58.8
69.03424	6.3
69.07056	6.6
70.92149	0.6
71.04975	5.5
73.02879	1.2
74.62922	0.6
79.05477	14.6
81.03404	42.1
81.07040	23.0
81.07520	0.9
82.03717	0.6
83.04961	11.6
83.08094	0.8
83.08596	15.9
85.02885	18.0
85.06519	2.5
86.09707	0.8
86.63113	0.7
91.03925	2.6
91.04898	1.3
91.05462	20.0
93.06487	1.1
93.07033	13.8
95.04379	1.3
95.04951	16.4
95.08589	9.5
97.02869	5.9
97.06493	3.2
97.10159	3.2
98.69922	0.7
99.04427	2.6
99.08069	2.1
103.05426	0.8
105.07014	12.0
107.04940	4.8
107.08578	8.8
109.02846	3.2
109.06499	4.2
109.10139	55.3
110.10415	0.6
111.04430	3.9
111.08059	9.2
113.05978	1.9
117.06985	2.3
119.04886	1.0
119.08549	16.2
121.06440	1.6
121.10123	7.0
123.04392	0.9
123.08051	2.0
123.11672	2.7
125.05984	0.7
125.09583	1.6
127.03876	4.6
127.11177	1.4
129.06979	5.0
131.08559	6.1
133.06467	2.2
133.10098	7.2
135.11646	2.6
137.09602	2.8
142.07782	1.7
145.04831	0.7
145.10081	3.2
147.08023	1.5
147.11658	11.7
149.09616	4.3
149.13185	0.8
151.11191	1.9
153.12717	1.2
155.08488	0.9
155.10637	2.5
157.10094	7.4
159.08127	0.8
161.13242	0.9
163.11189	4.0
165.12737	3.4
171.11562	0.9
173.11720	15.0
173.13014	0.6
175.11153	8.7
181.12244	1.2
191.10637	1.2
193.12210	25.7
207.13762	1.0
209.11694	1.4
211.13255	36.4
227.12827	3.0
229.14316	54.7
230.14696	1.1
243.15968	1.3
253.45717	0.7
253.57709	0.8
255.19757	0.8
267.15872	15.0
277.21756	0.9
283.15515	2.1
285.16922	27.9
286.17395	0.8
299.23242	1.0
317.24576	1.1
335.25781	4.3
337.14279	0.9
353.26807	6.2
371.27863	2.5
383.22223	1.3
403.24591	0.9
411.19418	1.1
421.25781	18.8
421.31039	1.4
422.26392	0.8
439.26859	100.0
440.27145	3.4
457.25449	1.2
475.26682	4.4
493.27939	2.2
619.31079	1.7
636.30804	1.9
637.31909	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	635.2853
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
50.52711	0.6
52.23300	0.6
54.11270	0.5
54.69028	0.6
55.05499	0.6
57.15053	0.5
58.03266	0.5
67.05479	0.9
69.99737	3.4
71.08627	0.7
81.07043	1.2
86.45680	0.5
89.92091	0.6
93.07030	0.7
95.08614	1.0
98.20721	1.1
101.49833	0.6
107.60294	0.5
121.19603	0.6
165.66299	0.6
380.90375	0.7
386.16162	0.6
389.17493	1.1
390.18011	0.9
401.17511	0.7
402.18365	0.9
403.19226	3.4
404.20099	1.7
405.20746	1.2
415.15030	1.1
415.19882	1.4
416.15662	1.1
416.20673	1.2
417.16620	2.0
417.21555	4.6
418.21439	2.7
419.22540	3.8
429.16803	1.0
430.17395	2.9
431.17746	7.2
431.23389	1.3
432.19177	2.2
432.23798	1.4
433.24216	5.9
434.24316	1.0
443.18906	0.7
444.19287	2.9
445.19894	13.2
446.20529	4.0
447.21545	4.7
458.21082	0.9
459.21741	10.6
460.22479	12.0
461.23322	8.9
471.21408	0.7
472.22733	0.8
473.23776	1.7
477.22861	0.9
487.25412	1.0
489.22845	1.0
505.21399	3.2
517.22125	2.0
518.00403	0.6
518.23309	1.1
519.23212	4.2
520.37079	0.6
531.23700	3.1
532.24951	1.0
533.25006	1.0
546.26172	3.2
547.26971	23.6
548.27283	1.9
575.26660	1.7
577.24042	2.9
591.26038	3.9
605.27875	1.2
606.28247	14.2
607.29065	23.3
608.28748	1.4
617.26947	0.8
635.28510	100.0
636.28998	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	635.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30983	0.4
57.07081	0.5
67.05502	0.5
70.38820	2.0
71.88126	0.5
81.07058	0.5
95.08577	0.5
105.07005	0.9
109.12077	0.4
147.97893	0.4
184.02048	0.4
184.22437	0.4
223.12422	0.5
235.12270	0.6
249.13788	0.9
303.51450	0.4
345.70917	0.5
387.16083	0.5
388.16730	0.4
389.17535	0.9
395.70969	0.4
401.17584	0.9
402.18777	0.5
403.19345	2.2
404.19913	0.8
405.20627	1.9
415.15152	0.6
415.19788	0.5
416.20032	1.2
417.16205	0.9
417.21399	3.4
418.21524	1.5
419.22412	1.5
428.20004	0.5
429.16821	1.1
430.17877	1.6
431.17883	5.0
431.23453	1.0
432.18494	2.5
433.24182	2.4
443.18192	0.6
444.19083	0.8
445.19864	7.2
446.20767	2.5
447.21463	0.9
458.21240	0.6
459.17697	1.5
459.22958	2.2
460.23248	2.9
461.23544	2.6
471.21600	0.5
473.19440	1.2
473.24341	0.6
474.20657	0.5
475.21338	1.0
487.20053	0.7
488.22067	2.9
489.22665	5.0
491.25180	0.5
501.22635	1.1
502.23654	0.7
503.24335	0.5
505.22360	0.5
515.24091	1.5
517.22333	0.9
518.23358	0.6
519.24841	0.9
533.21863	0.8
543.23730	0.6
546.23151	0.5
547.27350	6.6
564.27020	0.6
575.26495	20.6
576.26526	1.9
603.25946	0.8
607.28821	1.1
635.28552	100.0
636.28827	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	634.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01864	3.7
55.05499	10.4
56.79641	0.3
57.03145	0.6
57.03426	10.9
57.07059	1.2
59.04991	4.6
61.02918	4.7
65.03926	1.4
67.05492	56.1
68.05821	0.5
69.03410	3.1
69.07062	3.9
71.01340	1.4
71.04985	4.3
73.02898	1.2
79.05478	11.3
81.03403	11.2
81.07039	16.2
83.01322	5.0
83.04964	8.0
83.08604	10.0
85.02888	7.5
85.06524	2.5
90.16386	0.4
91.03954	2.5
91.05464	10.7
93.07027	15.3
95.04951	4.5
95.08588	7.9
97.02874	4.9
97.06503	2.6
97.10130	1.0
99.04435	2.7
103.05441	0.8
103.25545	0.4
105.03383	0.7
105.07011	4.9
107.04945	5.0
107.08571	9.5
109.02859	1.4
109.06511	3.7
109.10136	57.5
110.10470	1.0
111.04408	1.9
111.08074	3.4
117.06992	4.2
119.08562	9.9
121.06454	2.5
121.10130	5.0
122.09692	0.7
123.04395	0.5
123.08047	5.5
125.05989	1.3
125.09608	1.3
127.03901	1.6
129.06963	0.9
130.07751	0.7
131.08545	2.0
133.06514	0.4
133.10107	1.3
135.08052	1.1
135.11668	8.9
135.18941	0.4
137.09604	3.8
143.08553	0.7
145.10097	10.5
147.08009	1.3
147.11757	0.6
149.09695	0.5
153.12718	2.1
155.08551	0.8
155.10616	3.1
163.11148	16.7
165.09010	0.6
173.04431	0.6
173.09525	2.2
173.11705	17.9
181.12187	1.9
191.10640	2.3
193.12230	0.4
209.11678	4.8
227.12738	5.6
229.14310	78.6
230.14622	2.0
258.59265	0.4
265.14319	0.5
283.15353	69.6
284.15701	2.3
306.09805	0.8
310.31177	0.5
313.61572	0.4
353.15884	1.0
419.24234	0.6
437.25278	100.0
438.25641	6.7
472.25616	0.5
542.34332	0.5
564.13965	0.5
581.28998	0.5
634.29205	0.5
635.30579	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	633.2529
Annotation	C18155
Peak:m/z	Relative Intensity
55.05484	1.2
57.03437	0.4
57.07065	1.9
61.02918	2.0
61.03177	0.4
65.88109	0.3
67.05497	1.9
68.99773	0.5
69.07037	1.7
69.61316	2.1
69.61736	1.3
71.04953	0.4
71.08616	2.2
73.02901	0.6
77.69352	0.4
79.05472	0.6
81.03408	0.6
81.07049	2.6
85.02881	2.1
85.10174	1.0
91.03916	0.8
91.05452	0.8
95.04937	0.4
95.08604	2.4
97.02853	0.9
101.14373	0.4
111.00797	0.9
119.08604	0.5
123.04404	1.3
124.88757	0.4
131.04817	0.5
137.02319	0.4
139.03862	1.0
147.04382	1.2
153.01799	15.9
153.03052	0.9
157.06458	0.5
159.04411	0.4
161.05977	1.4
162.03159	0.5
163.11050	0.5
165.01782	0.7
171.11708	0.5
173.06021	0.9
175.03909	1.5
175.07507	0.6
179.53773	0.3
181.01186	0.5
187.03903	1.8
189.05449	1.3
203.03331	5.1
213.05251	0.5
215.03345	0.8
225.05559	0.4
229.04955	1.1
242.05737	2.0
252.04129	1.6
253.04999	3.2
257.04318	0.6
259.05969	0.8
265.04785	0.4
269.04355	1.8
270.05170	1.3
271.06100	1.2
280.03723	1.3
281.04370	3.5
282.04922	1.2
285.03836	0.8
287.05298	0.8
295.05817	0.9
296.86530	0.4
297.03903	2.9
298.04663	28.3
299.05426	18.0
299.16403	0.5
309.03915	0.9
310.04532	0.5
311.05423	2.3
312.06067	0.5
313.03384	7.5
313.06796	0.5
315.04932	4.9
323.05396	2.3
327.04996	3.8
327.16025	0.6
328.05417	0.8
329.06000	0.9
340.05649	0.9
341.06354	0.7
435.18042	0.7
453.19000	100.0
454.19125	2.1
469.18204	0.5
471.20087	8.4
482.18539	0.6
483.19183	1.1
495.20212	0.9
597.22723	0.6
601.16754	0.8
615.24493	2.2
633.41071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77401	3.3
53.03921	10.2
55.01850	9.2
55.05500	33.3
57.07070	8.4
59.04983	10.3
61.61952	3.4
65.03913	5.2
67.05493	48.3
69.03413	20.2
69.07060	25.2
70.80315	3.5
71.04971	15.6
71.08616	4.6
71.79021	5.9
73.06528	11.6
78.83632	2.9
79.05477	45.8
80.06257	3.5
81.03402	6.1
81.07035	62.5
83.04962	22.9
83.08604	64.3
85.02872	4.7
85.06530	15.8
87.04448	7.3
91.05466	63.0
93.07027	93.1
95.04949	38.6
95.08582	48.8
97.06517	39.0
99.04439	4.7
103.05442	7.9
105.07005	100.0
107.04907	10.0
107.08568	91.4
107.09300	3.3
109.06519	23.2
109.10133	42.9
111.08054	17.9
113.09601	13.6
115.05436	11.4
116.06258	3.5
117.06998	34.6
119.04923	3.9
119.08546	85.5
121.06500	18.2
121.10114	66.5
123.08044	25.9
123.11660	8.7
125.05911	4.6
125.09593	39.7
128.06169	14.9
129.06982	26.8
130.07762	11.1
131.08539	52.8
132.09338	5.0
133.06435	7.4
133.10092	61.7
133.11011	6.1
134.10844	3.5
135.08025	24.1
135.11687	21.3
137.09572	14.0
139.11127	20.3
141.06973	13.6
142.07730	25.5
143.08546	55.6
143.10638	46.2
144.09305	16.3
145.06468	26.8
145.10089	94.4
146.07094	4.1
147.08041	24.1
147.11613	19.3
149.09589	22.7
149.13246	3.9
151.07513	5.3
151.11191	7.1
153.01740	5.1
153.06934	8.6
153.12755	4.2
154.07695	5.1
155.08565	20.9
155.10658	26.5
156.09319	27.2
157.10114	72.1
158.10847	10.6
159.08061	29.6
159.11649	43.5
160.07628	5.8
160.08818	66.6
161.09576	19.6
161.13197	6.1
163.11148	25.8
165.06947	9.7
165.09122	6.0
166.07721	4.6
167.08517	20.0
167.10640	29.7
168.09312	12.8
169.10092	37.2
170.10857	14.2
171.08057	3.6
171.11650	38.8
172.08855	4.3
172.12296	4.4
173.09592	14.1
173.13223	16.6
174.10361	3.6
175.11111	13.4
175.14812	3.4
176.11832	3.5
177.12762	7.4
179.08524	13.9
179.14200	5.9
180.09247	6.6
181.10156	22.7
181.12213	35.0
182.10930	20.6
183.11662	35.4
184.12444	4.2
185.09683	7.4
185.11691	66.0
185.13239	23.4
186.10481	4.2
186.12149	3.1
186.14015	6.0
187.11244	7.5
187.14806	11.8
188.11848	3.3
189.12708	10.3
191.14256	7.2
192.09415	6.2
193.10123	19.0
194.10880	14.1
195.11674	32.8
196.12398	13.6
197.09645	3.5
197.11598	7.1
197.13240	55.7
198.13940	7.6
199.11098	5.8
199.14790	15.9
201.12729	9.5
203.14276	11.1
205.10153	7.2
206.10909	6.0
207.11644	23.5
207.13675	5.6
208.12471	9.1
208.14413	6.9
209.13152	32.8
210.13930	7.2
211.14796	21.5
213.12746	11.8
213.16318	8.8
215.14247	33.1
217.15823	5.3
218.10835	5.8
218.16595	11.3
219.11633	7.0
220.12350	8.2
221.13223	17.4
221.15334	42.9
222.13867	4.8
222.15871	4.7
223.14775	17.5
225.12677	7.2
225.16325	11.7
227.14229	6.5
228.14934	4.8
231.11682	7.1
233.13205	7.8
233.15334	41.4
234.15964	7.8
235.14792	11.6
236.15637	3.6
237.16351	12.6
239.14142	5.2
239.16216	5.2
241.15858	3.9
245.13145	5.0
245.15331	4.6
246.13902	3.7
246.16162	7.9
247.14658	10.0
247.16934	9.2
249.16277	10.6
251.14096	4.4
251.17772	6.6
253.19502	3.8
255.17383	29.2
257.18900	5.1
259.14713	6.5
261.16245	7.1
263.17834	9.7
265.15781	3.3
265.19449	6.5
267.17471	7.0
269.18906	8.8
270.19733	5.8
271.16980	4.9
271.20551	5.7
273.18460	10.6
275.03488	3.8
275.17905	6.0
277.19421	3.8
281.18915	6.5
285.18582	5.8
286.19351	22.7
287.19986	8.8
295.20255	5.1
297.18365	4.8
298.19327	3.7
299.20013	6.8
307.20432	3.9
311.20102	7.5
312.20892	8.0
313.21603	4.4
319.20654	3.8
325.21530	3.6
331.24042	4.8
335.23257	3.8
347.22983	3.4
349.25397	5.7
351.23166	4.2
365.24747	9.7
367.26337	7.6
379.25974	3.9
380.27112	6.9
399.26291	4.3
471.32254	3.8
479.20575	9.2
489.33694	4.3
490.34225	3.7
491.37183	13.3
520.35504	5.3
567.38800	4.8
582.40485	9.1
600.41437	5.8
632.44031	18.2
633.33661	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	631.2375
Annotation	C16540
Peak:m/z	Relative Intensity
53.03923	0.9
53.20473	0.5
55.01846	1.1
55.05490	2.5
57.03430	6.2
57.07064	4.3
59.04974	0.8
66.58966	0.5
67.05484	2.6
69.03417	1.1
69.07060	2.9
71.01357	0.6
71.04979	56.7
71.08608	4.6
73.02882	1.1
75.04452	1.6
79.05469	2.2
81.03370	0.7
81.07043	4.9
83.04945	3.2
83.08602	0.9
85.02889	59.6
85.10167	2.7
87.04463	1.0
91.05457	1.6
93.07021	2.3
95.04960	1.2
95.08575	4.7
99.04462	0.8
105.07014	2.5
107.08565	1.6
109.02834	0.6
109.06480	1.3
109.10152	1.0
111.04431	1.4
115.15990	0.6
117.07013	1.0
119.08549	2.3
121.10131	2.8
123.04392	0.8
129.04530	1.1
129.05460	16.0
131.08534	1.1
133.10063	1.1
133.28346	0.6
135.04388	1.8
135.08040	0.7
135.11699	0.7
137.02322	1.5
143.08554	1.0
145.10031	1.0
147.04306	0.7
147.06447	1.5
147.08092	0.7
149.02309	1.4
151.07564	0.7
153.01810	4.4
157.10092	0.9
159.08038	0.8
161.05997	1.5
162.70250	0.5
163.03938	0.7
165.01854	0.9
167.08607	0.8
167.10640	2.2
169.10020	0.9
173.13278	0.9
175.11182	0.8
178.46654	0.6
187.03885	0.9
189.03279	1.8
189.05455	0.6
189.08948	1.4
190.41933	0.7
191.03383	2.6
193.04984	1.6
195.11652	0.7
201.64450	0.6
211.11026	0.6
215.06938	3.2
221.15292	0.6
229.04997	1.5
233.15404	1.7
245.04440	1.0
257.04453	1.0
259.06055	0.9
259.93497	0.6
273.04031	0.8
285.03989	1.6
285.11246	1.4
297.03528	0.8
301.03375	2.0
303.04929	23.6
304.05435	0.7
315.04968	2.7
329.02756	3.9
341.06375	0.9
343.04330	0.9
343.08353	0.9
355.04437	2.1
385.09103	1.0
386.09628	1.0
439.17578	1.1
467.16052	2.8
485.17984	100.0
486.18375	5.3
547.58490	0.7
631.31171	0.9
631.40210	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73160	0.4
55.01841	0.5
55.05462	1.4
57.03398	0.6
57.07065	5.4
61.02878	1.4
67.05494	3.2
67.59224	0.4
68.99752	1.4
69.03378	0.4
69.07053	1.9
69.70022	0.7
69.70429	2.6
71.01318	0.5
71.08616	7.2
73.02903	11.1
79.05453	0.7
81.07048	5.7
83.08585	1.0
85.02857	0.6
85.10122	1.8
91.05432	0.5
93.07002	0.5
95.08590	5.5
97.02869	0.5
105.03315	0.4
111.00733	1.6
115.03879	0.9
121.02759	0.8
121.06439	0.4
123.04410	0.8
133.10002	0.5
137.02322	0.6
139.03874	0.9
147.04373	1.3
149.05908	0.6
153.01804	15.5
155.14264	2.1
159.04390	0.5
161.02306	2.0
163.03831	1.5
165.01801	1.5
173.02330	1.2
175.03836	1.1
183.02844	0.8
185.06018	0.6
187.03860	2.1
189.05325	0.5
191.03325	0.6
195.02773	0.4
200.04480	0.4
201.05424	0.6
203.03310	1.2
211.03792	0.5
215.03392	0.9
217.04929	0.6
219.02914	0.9
225.05472	0.9
229.04938	0.4
233.39841	0.5
237.05453	0.6
242.05553	0.6
243.02811	1.5
252.03975	0.5
253.04904	5.1
255.06442	0.6
257.04410	0.8
265.04941	1.1
267.06439	0.5
269.04459	1.1
270.05096	0.9
271.06058	1.1
281.04425	14.5
281.07477	0.6
282.04901	1.2
285.03876	2.7
295.05939	0.8
297.03973	1.9
298.04654	9.9
299.05460	9.2
309.03943	4.6
311.05447	7.4
313.00095	0.4
313.03177	2.2
315.04880	1.3
323.05542	2.0
326.04150	0.6
327.04938	100.0
328.05255	3.7
339.04919	1.4
341.06448	0.7
343.04282	0.5
345.05963	5.0
351.04779	0.8
353.06268	0.5
355.04773	0.5
369.05988	3.4
393.05899	1.1
423.06964	1.0
423.51730	0.6
435.17914	0.5
441.08221	0.7
453.18954	6.5
459.09299	0.9
463.17542	2.7
481.18524	66.1
482.18964	3.1
499.19592	16.2
500.19809	1.1
523.19659	0.7
569.98962	0.6
613.21838	0.5
631.39471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.4
55.05510	2.0
57.03412	0.9
57.07069	5.4
61.02877	1.5
67.05498	3.9
68.13226	0.4
68.99767	1.3
69.03390	1.2
69.07066	2.5
69.34504	0.4
69.59374	3.3
71.08620	7.2
73.02908	9.8
79.05456	0.5
81.06611	0.4
81.07042	6.2
83.08585	0.9
85.02868	0.7
85.10166	4.0
91.05414	0.5
93.07001	0.7
93.56062	0.4
95.04926	0.8
95.08590	5.4
98.21429	0.9
105.03377	0.4
105.06982	1.1
107.04966	0.4
107.08575	0.9
111.00801	2.3
115.03907	0.9
119.08524	0.6
121.02831	0.8
121.10116	0.7
121.55379	0.4
133.10120	0.9
135.11635	0.4
137.02283	0.7
139.03856	0.6
147.04387	1.3
153.01810	15.4
155.14268	2.4
159.04431	0.6
161.02316	1.7
163.03850	1.3
163.82635	0.4
165.01784	1.6
169.06480	0.4
171.02734	0.4
173.02342	1.1
173.05853	0.5
175.03844	0.8
185.05922	0.7
187.03836	1.5
189.05406	1.0
191.03325	0.7
195.02916	0.8
197.05884	0.7
199.03860	0.5
201.05351	0.5
203.03346	1.6
215.03354	1.7
217.04918	1.1
219.02872	1.0
225.05447	0.6
229.04926	1.3
236.53647	0.4
237.05470	1.1
239.03249	0.4
242.05710	0.7
243.02962	2.1
243.06508	0.6
252.04051	0.5
253.04926	5.3
257.04462	0.7
259.05972	0.6
265.04922	1.7
267.06546	0.6
269.04361	1.0
270.05258	0.8
271.05905	1.0
281.04413	15.0
281.07507	0.7
282.04828	1.2
285.03876	3.5
293.04404	0.7
295.06070	1.2
297.03854	1.4
298.04657	10.2
299.05429	9.5
299.16470	0.5
300.05826	0.5
306.05038	0.4
309.03934	4.5
311.05450	7.2
313.03400	2.5
315.04968	1.4
323.05600	1.9
326.04248	0.7
327.04950	100.0
328.05338	3.3
339.04861	1.5
343.04459	0.9
345.06042	6.1
350.04407	0.5
351.05023	0.9
358.65967	0.4
365.06607	0.5
369.06027	4.3
393.05765	0.6
423.06952	1.2
435.17883	0.5
441.08145	1.0
453.19055	6.8
459.09067	1.2
463.17648	2.7
481.18530	70.0
482.18890	3.9
499.19595	19.6
500.20221	1.0
523.19543	1.4
561.20868	0.5
577.20123	0.7
595.22131	0.7
595.37592	0.8
613.23077	0.6
613.39063	0.6
631.39832	1.0
644.97345	0.5
653.96906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.5
57.03426	3.8
65.03922	2.5
67.05479	0.8
69.03417	0.8
70.06539	0.4
70.67635	1.2
71.01324	0.5
71.04978	28.3
73.02900	0.7
74.66900	0.4
75.04485	1.0
79.05470	0.9
81.03417	0.6
81.07035	0.6
83.04965	1.3
85.02888	30.4
87.04433	1.3
91.05457	2.6
92.02605	1.1
93.03377	2.5
95.04950	0.9
97.06506	0.9
99.04408	0.6
107.04939	4.0
107.08580	0.5
109.02840	1.1
111.00761	0.6
111.04423	13.0
117.03346	0.5
119.04885	0.5
121.02849	2.3
123.04425	1.2
126.09107	0.4
127.03909	1.3
129.05457	6.2
133.02846	0.5
133.67532	0.4
135.04390	14.6
135.07901	0.4
136.05193	1.0
137.02333	2.2
137.05954	1.5
139.03873	20.6
145.04956	0.4
147.04373	0.6
147.06407	0.8
153.01788	9.2
153.05437	0.6
161.02379	0.4
163.03877	6.1
165.01839	1.1
166.02571	0.4
179.03329	0.8
179.06926	0.4
181.04944	1.7
183.02850	0.7
201.05470	0.5
203.03401	0.6
215.06984	0.7
217.05003	1.7
219.02858	0.4
228.04164	1.5
229.04965	3.4
231.02872	0.8
234.30202	0.4
245.04385	2.8
246.05225	1.8
247.05946	0.4
257.04373	2.2
260.03171	0.5
269.21335	0.4
273.03842	3.1
274.04700	3.9
275.05536	0.6
285.03995	1.2
287.05225	0.5
297.03775	2.0
298.04544	0.6
301.03360	4.5
302.00571	0.6
302.04147	20.0
303.04935	47.2
304.05261	1.5
315.04889	0.4
323.05435	1.3
327.04956	2.6
391.11499	0.5
409.39038	0.5
417.06018	1.2
419.11307	1.1
435.06100	0.5
437.08835	1.5
449.08496	2.5
459.01230	0.5
459.07211	1.0
467.09052	0.4
477.07434	0.5
483.09146	100.0
484.09412	4.4
525.10364	0.9
531.73273	0.4
611.12231	0.6
629.11896	0.5
645.78784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01858	0.4
55.05492	0.4
56.05037	0.2
57.03419	0.4
57.07067	2.2
57.53164	0.2
61.02907	0.6
67.05495	0.8
68.05016	2.3
69.03415	1.9
69.07047	0.6
69.99352	0.4
69.99766	0.7
71.08626	2.7
73.02892	0.4
74.30162	0.2
77.64343	0.2
79.05472	0.7
81.03405	1.0
81.07048	1.9
83.08611	0.2
85.02890	2.1
85.10162	1.8
87.04449	0.4
90.24662	0.2
91.05464	0.9
93.07015	0.7
95.04931	0.9
95.08595	2.1
97.02886	1.0
103.05444	0.8
105.06975	0.4
105.94478	0.2
107.04937	46.2
108.05272	0.5
109.02845	0.3
109.06512	0.2
109.66311	0.2
115.05434	6.6
117.06989	1.2
119.04905	0.8
121.02853	0.7
121.06487	3.6
122.03635	0.2
123.92555	0.2
127.03896	0.2
129.07001	0.3
131.04919	1.5
133.06473	1.3
135.08026	0.3
137.04898	0.4
137.05956	5.7
137.13118	0.2
141.06973	0.2
143.04898	10.3
144.05615	0.4
145.06459	6.3
146.06902	0.2
147.04413	0.5
147.08017	0.4
148.07584	0.2
149.05968	0.4
150.06757	0.6
151.07549	1.4
155.06065	0.3
155.14270	0.5
160.05188	0.9
160.07481	0.3
161.04749	0.3
161.05965	1.0
162.05470	0.5
162.06750	1.1
162.09059	0.2
163.06256	2.2
163.07535	1.3
163.37210	0.2
165.06941	0.3
166.07771	0.4
169.06554	0.2
171.06783	0.3
174.05508	0.3
175.07515	5.6
176.07030	3.1
176.08380	0.2
177.07823	4.7
178.08601	17.0
179.06996	0.5
179.08853	0.4
181.06441	0.9
181.10065	0.6
182.19037	0.3
184.07542	0.3
186.09070	0.7
187.07472	0.3
187.09930	0.5
188.07092	0.8
189.07765	2.3
189.09114	0.3
190.08655	1.6
191.08534	0.8
191.09402	0.8
192.10187	0.9
194.07225	1.3
195.08083	0.3
197.06026	0.2
198.18524	0.4
200.20071	0.2
201.09116	0.4
202.08612	0.7
203.09189	0.2
204.10173	21.9
205.10933	4.5
206.11777	0.9
207.08081	0.3
208.16881	1.2
209.06082	0.3
209.09604	4.6
209.11508	0.4
210.09036	0.8
210.18498	0.8
211.07402	0.3
213.07838	0.5
214.08617	2.0
216.10239	0.6
217.07330	0.6
218.08203	0.4
218.11729	0.5
219.08038	1.1
222.06729	0.3
223.07530	0.3
228.10158	6.1
229.10931	3.3
230.08035	0.4
230.11655	1.1
231.08871	0.4
232.09650	15.4
233.10379	0.8
235.07564	0.6
236.08449	0.3
237.09084	4.9
238.09622	0.3
239.07016	0.8
240.07899	0.4
241.08348	0.2
242.11761	0.6
246.11229	8.5
247.07779	0.2
247.11972	5.7
251.10643	0.4
254.09451	0.8
260.12769	4.4
261.13348	0.3
267.10077	0.2
269.11685	10.4
270.12024	0.3
274.14349	0.8
280.09619	1.0
281.11649	0.3
284.12692	0.2
285.11142	0.2
288.15903	0.5
294.11490	0.2
295.13205	0.7
296.12759	20.2
297.13193	0.7
302.17493	0.7
302.20840	0.4
310.14203	0.3
312.15891	9.1
313.16327	0.4
316.19119	0.6
340.22784	0.3
341.23480	0.4
342.24203	0.4
344.22128	0.5
358.23682	5.7
359.24451	4.4
360.25241	0.5
377.03622	0.2
423.26181	0.2
466.29459	45.2
467.29797	2.3
474.21188	0.7
628.34698	100.0
629.35034	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	627.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42457	0.9
51.02367	1.5
53.03944	5.5
55.01866	18.8
55.05500	26.8
57.03425	13.8
57.07064	3.4
59.04987	1.6
59.22635	1.0
61.15364	0.9
65.03935	3.7
67.05492	78.0
67.16214	0.9
68.99770	1.1
69.03413	1.9
69.07056	40.0
71.04979	4.0
71.08599	0.9
71.82285	1.3
73.06533	1.6
76.99750	1.1
78.04702	1.0
79.05479	65.9
80.06309	1.0
81.03407	6.7
81.07041	99.6
82.07357	2.1
83.04966	5.0
83.08607	11.4
85.06536	4.5
89.06023	1.0
91.05463	69.8
92.05804	1.1
93.07028	71.5
94.07362	1.9
95.01319	6.5
95.04955	13.4
95.08591	61.4
96.08921	1.1
97.06513	28.2
97.10144	4.9
99.04474	1.4
99.08101	1.8
103.05439	2.1
104.61838	1.0
105.04540	1.7
105.07014	77.4
106.07348	1.8
107.04942	17.6
107.07887	2.3
107.08577	31.6
109.06503	9.7
109.10141	21.1
111.08060	2.2
115.05437	1.9
117.06989	18.9
117.07763	1.4
119.08561	45.7
120.08900	1.1
121.06505	3.4
121.10122	22.3
121.10963	1.7
123.08056	5.5
123.08835	1.1
123.11720	4.6
125.09636	2.3
128.06241	1.3
129.06976	3.7
130.07713	1.6
131.08539	31.3
133.06573	1.2
133.10104	44.0
135.08047	3.9
135.11670	16.0
137.09573	4.8
137.13240	0.9
139.07561	1.3
141.06920	1.3
143.08545	5.1
145.06483	2.1
145.10101	19.5
147.08075	1.0
147.11668	19.5
149.09604	6.6
149.13239	7.1
149.14241	1.1
151.11169	2.4
155.08524	2.4
157.10088	3.9
157.11218	1.0
159.08055	1.2
159.11671	12.3
161.09521	1.2
161.13211	7.1
163.11208	3.2
163.14807	2.2
165.09085	2.5
169.10114	2.8
171.11679	3.7
173.13202	6.4
175.11212	1.8
175.14795	2.5
177.12750	3.5
179.14281	14.0
183.11696	2.4
185.13217	2.5
187.11168	3.2
187.14828	2.7
195.13782	1.6
197.13274	3.0
199.14795	1.2
201.16319	3.0
203.14307	1.9
207.13918	1.0
219.17406	52.1
220.17792	1.9
224.83138	1.1
229.19353	1.4
236.28700	0.9
239.17967	2.3
243.21039	1.0
247.20578	2.9
257.18893	6.8
261.22141	3.1
275.20013	84.9
276.20395	3.7
277.21637	1.6
293.21097	5.5
317.24652	1.9
335.25742	100.0
336.26065	4.2
339.89130	1.0
349.23700	26.7
529.38824	2.0
545.52728	1.0
609.45044	80.5
610.45367	6.5
627.46423	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	627.461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.01863	16.4
55.05503	32.9
57.03426	8.2
57.07067	4.6
59.05009	1.5
65.03928	4.9
67.05494	96.4
68.05827	1.0
69.03426	4.9
69.07057	33.9
71.04980	5.0
71.08624	2.6
75.04478	1.7
79.05479	65.5
79.25482	0.9
81.03410	5.6
81.07042	100.0
82.74871	1.1
83.04975	7.7
83.08606	18.1
85.06526	3.7
91.05469	50.9
93.07030	71.4
94.07357	1.4
95.04946	12.7
95.08591	58.8
97.06515	22.6
97.10151	10.4
99.08084	2.5
103.05441	2.1
104.79382	1.1
105.04538	1.3
105.07017	57.0
106.07374	1.5
107.04936	14.3
107.08579	48.0
109.06518	11.9
109.10142	29.9
109.10851	2.0
111.08057	6.1
111.11738	1.2
113.09675	1.2
115.05447	2.2
117.07003	17.8
119.08566	44.9
121.02835	1.5
121.06510	4.1
121.10125	32.8
123.08048	6.8
123.11676	10.2
123.12390	1.0
125.09628	7.4
129.06969	7.9
130.07849	1.3
131.00702	1.3
131.08548	30.7
133.06506	3.3
133.10110	26.7
133.11111	1.3
135.04442	1.1
135.08029	5.6
135.11684	18.0
137.09607	4.3
137.13222	1.6
139.11153	1.3
141.07033	3.0
142.07838	1.5
143.08530	10.3
145.06505	1.8
145.10092	28.5
147.08008	2.3
147.11656	26.4
149.09607	19.4
149.13231	10.4
151.11186	2.9
155.08578	4.3
157.10106	10.0
159.08083	1.8
159.11668	19.8
161.09654	1.5
161.13199	9.2
163.11137	8.8
163.14874	3.7
165.09135	1.6
165.12804	5.0
169.10074	6.3
171.11665	10.0
173.09639	1.2
173.11781	1.9
173.13222	11.6
175.11182	2.9
175.14883	4.2
177.12770	3.0
179.14317	2.7
180.30106	1.3
181.10089	2.5
183.11688	6.7
185.13200	5.9
187.11218	1.9
187.14781	6.4
189.11226	5.1
189.12798	1.6
189.16405	2.7
191.14413	2.2
193.12262	2.0
195.11719	2.7
197.13304	5.0
199.14874	5.0
201.12721	1.9
201.16426	2.6
203.12740	1.2
203.14452	1.4
207.11584	1.3
209.13268	2.5
211.14867	2.4
213.16412	2.5
215.18001	2.8
219.13919	1.8
219.17416	2.7
221.15573	1.3
223.15036	1.2
225.16476	2.0
227.12769	7.4
227.17914	1.7
229.19604	2.9
231.17455	1.1
239.17863	5.5
241.19502	2.8
243.21120	2.1
247.20621	3.3
253.78806	1.2
254.84514	1.3
255.21179	1.1
256.28622	1.1
257.18988	9.8
259.20572	4.4
261.22144	6.9
267.16003	2.9
273.18503	1.7
275.20032	63.8
276.20453	4.3
277.21707	3.1
293.20996	7.3
317.24722	2.8
331.22888	1.6
333.24292	3.9
335.21802	2.4
335.25751	40.8
336.26010	2.1
349.23718	31.3
349.27884	2.1
350.24112	2.8
351.25311	2.1
499.38742	1.8
514.52515	1.2
515.37347	4.2
517.40875	3.4
529.39063	9.6
530.39453	2.2
535.41309	5.4
553.42383	4.1
555.40894	1.5
591.44696	2.6
609.45038	50.3
610.45551	5.2
627.46222	70.3
628.46881	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	627.3365
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
53.03925	9.2
55.01857	6.5
55.05502	28.3
57.03428	25.6
57.07045	3.2
58.56924	2.0
63.27700	2.4
65.03916	2.9
67.05495	65.8
69.03418	17.6
69.07061	18.6
70.06567	2.5
71.01334	4.8
71.04981	11.0
71.08610	3.4
71.79076	5.1
73.02881	4.6
77.03828	2.0
79.05480	58.0
81.03405	100.0
81.07045	46.9
83.04967	48.4
83.08607	23.6
84.04487	5.2
85.02896	22.0
85.06545	3.6
89.74748	1.9
91.04906	3.1
91.05466	46.9
93.07031	69.6
95.04962	35.1
95.08593	18.5
97.02874	13.6
97.06528	11.3
97.10143	14.5
99.04426	5.9
105.07010	22.9
107.04907	10.3
107.08580	37.2
109.02866	11.4
109.06482	7.2
109.10156	11.4
111.04429	12.3
111.08082	12.8
112.07585	15.7
113.06002	3.8
115.05401	2.1
117.06995	8.7
119.08566	23.9
121.05679	2.1
121.06478	4.7
121.10142	17.3
125.09618	4.4
127.03939	13.3
129.05470	9.1
129.06973	11.9
131.08516	13.6
133.06451	4.5
133.10085	14.6
135.08078	4.1
135.11662	47.9
136.12062	2.3
137.09616	4.6
138.26173	2.0
142.07802	2.7
143.08463	2.2
145.10136	14.4
147.08014	3.8
147.11656	15.5
149.09567	7.5
150.11647	2.0
153.01801	3.0
153.12813	2.3
157.10114	16.9
163.11183	12.2
165.12723	4.1
174.07039	2.2
175.11189	14.1
177.05554	2.9
181.12218	13.5
183.11642	2.9
191.10638	2.5
193.12234	44.1
199.13281	2.8
211.13275	51.9
217.04900	2.3
224.12790	2.6
227.12743	6.0
229.14238	3.9
243.61891	2.4
249.14819	4.0
255.15884	83.4
256.16129	3.4
267.15894	31.1
271.06027	3.8
271.13602	3.4
283.15314	3.3
285.16882	13.0
327.04895	29.0
337.16208	3.0
338.75757	2.5
355.17392	4.7
399.19934	6.9
421.25772	4.9
429.21280	11.3
447.27396	77.1
448.27643	4.6
465.28448	66.3
466.28568	6.5
474.10159	9.8
481.18713	3.6
489.28366	2.1
591.31549	4.2
609.32489	59.4
610.32971	3.9
628.23468	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	627.2803
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.13457	0.3
51.09376	0.4
53.98347	0.3
55.05458	0.4
67.05437	0.9
69.06974	0.3
71.04907	1.6
79.05437	0.4
81.06956	0.4
85.02806	1.6
91.05432	0.5
93.06956	0.5
94.06499	0.4
95.08553	0.4
98.20710	0.8
102.45066	0.4
106.06487	0.6
108.08044	0.6
108.76669	0.3
120.04420	0.6
122.05976	0.6
130.06390	0.5
131.07237	0.7
131.08432	0.4
132.04366	0.4
132.08009	0.5
136.07541	1.8
138.09096	0.5
140.48170	0.3
144.07996	0.4
145.08757	0.4
146.05956	0.4
146.09525	0.9
153.01718	0.7
159.09122	0.4
160.03822	0.4
172.07483	0.7
172.09720	0.4
174.07922	0.4
174.09114	4.0
184.09738	0.6
185.07002	0.4
186.09085	0.8
187.08562	1.2
187.12265	4.0
188.10710	2.1
190.04918	0.4
197.06990	0.7
197.10629	0.9
198.09146	0.5
199.08553	0.8
200.09189	0.5
200.10828	0.6
210.07620	0.4
210.09288	0.4
211.08549	1.5
211.12204	0.7
212.09206	0.8
213.10220	0.7
213.13823	0.3
215.11722	2.7
223.12100	0.4
224.09340	1.1
225.06522	0.5
225.10156	3.3
226.08598	0.4
226.10739	0.7
227.11780	2.7
229.09433	0.4
235.08502	1.4
236.09259	0.5
237.10098	1.2
239.11740	2.9
240.12434	0.7
241.09665	0.7
241.13348	3.0
242.11519	0.5
243.11255	20.5
244.11649	0.8
249.10117	1.8
251.11685	1.5
252.08850	1.0
252.12540	0.5
253.09581	1.5
255.11290	0.5
263.08151	0.6
263.11664	1.1
265.09546	1.1
265.13376	0.4
267.11240	6.5
268.11652	0.7
269.12927	2.5
275.11871	0.4
277.09604	2.1
278.10278	0.4
279.11130	0.7
283.14215	0.7
284.35056	0.4
285.12347	3.1
289.13156	0.5
291.11252	0.6
293.12646	0.5
295.10764	2.3
297.12106	0.4
299.13751	1.3
301.12411	0.5
301.15479	2.9
302.12558	0.7
304.10965	0.8
305.11725	0.6
309.12186	1.4
310.10583	0.4
311.13678	0.7
312.15167	0.4
313.12259	0.6
314.12863	1.5
315.13391	0.5
316.10724	1.4
316.13986	0.7
317.11484	0.6
318.12366	0.5
319.10583	1.4
320.14063	0.7
321.14655	0.4
323.13687	0.5
325.12128	0.6
325.15466	6.1
326.12851	0.5
327.09845	0.4
327.13370	4.8
328.10657	1.2
328.14258	1.3
329.11533	1.2
330.12354	2.4
330.15793	0.6
331.13055	0.9
334.15347	1.5
336.13150	0.5
340.10712	0.4
342.12320	2.3
342.15714	0.6
343.13162	2.6
344.13855	3.3
344.17487	0.5
345.14801	0.5
346.15396	2.0
348.13373	3.0
351.13400	1.0
354.16156	0.5
355.13223	0.7
356.10059	0.7
356.13864	3.1
357.14572	1.5
358.15613	2.9
359.16147	0.7
360.17068	0.7
362.15057	0.6
366.17905	0.5
367.13181	0.4
368.13690	0.5
369.15274	0.4
370.11487	0.6
370.15433	2.2
371.16113	1.1
372.13419	0.5
372.17093	4.0
373.17694	0.7
374.14703	0.9
374.18768	0.5
382.15366	0.7
384.12912	0.7
384.17294	0.7
385.17859	0.8
386.14810	1.4
386.18588	1.2
390.18417	0.5
391.13696	0.4
394.17075	0.3
398.14890	1.1
400.16473	2.4
402.13980	0.5
403.15671	0.9
404.16327	0.4
406.18463	0.4
407.15073	0.8
408.16562	0.6
411.18408	0.4
412.16367	1.0
414.17422	0.5
416.15976	1.0
417.16574	1.5
418.17593	0.6
419.18790	0.9
420.16455	0.5
421.16504	0.9
422.18039	0.7
423.17920	0.8
430.17316	1.0
431.18439	1.0
432.19415	3.2
433.19781	0.6
434.18390	0.6
435.13458	1.8
435.19366	0.5
436.14441	0.5
436.19724	0.9
437.20328	1.8
444.19235	0.7
445.19980	0.6
446.20627	0.4
447.22647	1.8
448.15060	0.6
449.15524	1.3
449.20282	1.1
450.16550	1.1
450.21570	0.7
451.16446	1.9
452.22156	0.5
459.17581	0.5
460.18549	1.3
461.23447	1.2
462.23969	1.7
463.22202	2.9
464.18246	0.9
465.18759	9.3
466.19867	1.3
475.21432	0.8
476.20029	0.5
477.19318	1.1
478.19672	1.6
479.20438	4.4
480.21375	3.3
481.17993	7.5
482.18997	0.5
487.17184	0.5
489.23151	0.8
490.19473	1.7
491.20868	1.7
492.21646	2.1
493.23010	3.2
494.22900	1.2
504.21146	1.8
505.18228	0.5
506.23233	1.4
507.24069	4.0
508.21179	0.8
517.22211	1.3
520.21063	1.0
521.24774	0.6
529.37683	0.5
535.23285	5.2
536.23865	0.6
537.21387	0.4
539.26733	0.5
540.23212	0.6
541.23962	1.6
549.24872	9.3
550.23969	0.6
552.23560	0.7
553.24371	1.7
563.22705	0.7
567.25952	46.3
568.26031	2.6
577.24609	1.1
581.27216	0.5
595.25446	33.6
596.25409	1.4
609.26953	1.1
627.28033	100.0
628.28375	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	627.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84557	0.5
55.05456	0.7
67.05441	1.5
69.06999	0.6
70.02914	0.8
70.32253	1.2
70.32664	1.6
79.05441	1.0
81.03319	0.7
81.06998	1.1
81.95854	0.5
83.69676	0.5
91.05414	1.6
93.06948	0.9
95.04890	0.5
95.08547	1.1
105.06953	1.1
106.02841	0.6
106.06495	0.9
107.08508	1.1
108.04400	0.8
119.08498	0.8
120.04340	0.6
122.05901	1.0
129.06992	0.5
131.07256	1.0
131.08429	0.6
136.07494	1.2
138.08992	1.5
142.94217	0.5
143.08525	0.6
144.19698	0.5
145.10031	0.6
146.09547	0.8
158.09587	0.6
159.09081	0.6
170.09561	0.9
172.07520	0.8
174.09119	5.1
182.09642	0.9
186.09082	0.7
187.08647	1.1
187.12300	4.4
188.10696	3.2
190.04976	0.5
197.10596	1.0
198.09090	0.8
200.09280	1.1
211.08502	1.5
212.09219	0.9
213.10126	0.7
215.11652	3.5
222.09030	0.8
223.08490	1.4
224.09378	1.9
225.06596	0.6
225.10114	3.2
226.08543	1.1
227.11612	2.7
235.08545	2.1
236.09344	0.9
237.10190	1.2
239.11710	2.8
240.12422	0.8
241.09563	0.8
241.13341	3.5
243.11249	30.3
244.11574	0.8
249.10110	2.3
250.10954	1.1
251.11771	2.6
252.09016	0.5
253.09666	2.2
263.11795	1.3
265.09949	0.7
265.13135	0.8
267.11234	8.6
269.12784	2.1
272.12683	0.5
277.09482	2.3
277.12836	0.5
279.11002	0.9
283.14151	0.7
285.12274	2.4
291.11221	1.5
293.12827	0.7
295.10733	3.4
299.14008	1.0
300.11249	0.9
301.15421	1.5
302.12823	0.9
303.10104	0.6
303.14200	0.6
304.10727	0.6
306.12253	0.5
309.12170	1.7
314.12735	2.0
315.10172	0.6
315.13690	1.3
316.10599	1.7
316.14301	1.2
317.11298	0.7
318.12506	0.7
319.10623	1.6
320.13898	1.3
325.15442	12.4
327.13501	2.8
328.10635	2.6
328.14362	1.8
329.11478	2.1
329.15094	0.7
330.12265	3.3
330.16000	1.3
331.13022	1.9
332.13913	0.8
334.15378	1.3
335.13162	0.7
340.14621	0.6
341.11484	1.1
342.12219	3.8
342.16006	1.3
343.12927	3.6
344.13824	4.8
344.17410	1.0
345.14575	2.7
346.15399	2.3
348.13309	4.6
351.13287	1.4
351.45740	0.5
354.12314	1.6
355.13263	1.7
356.13861	3.4
357.14734	2.9
358.11743	0.6
358.15524	4.7
359.16202	0.8
360.16898	0.6
362.15048	1.0
370.11459	1.0
370.15427	2.2
371.16037	1.3
372.13513	0.7
372.17160	5.7
373.13693	1.0
374.14923	2.1
382.15494	0.7
384.17368	1.3
385.17712	1.0
386.14728	2.2
386.18643	2.0
391.14838	0.7
394.18045	1.0
398.14972	1.5
400.16568	2.7
403.16043	2.1
404.16476	0.6
405.16925	1.0
407.15118	0.9
409.39444	0.5
412.16458	1.4
415.15067	0.7
417.17053	0.7
418.17960	1.3
419.18820	1.5
420.16727	1.1
421.16638	0.9
422.17386	2.1
423.17896	1.2
428.15894	0.9
430.17474	1.1
431.18948	1.1
432.19424	4.7
434.19345	0.8
435.14307	2.3
435.18958	0.8
436.19467	1.5
437.19940	2.4
438.20560	0.6
442.17758	0.7
445.19986	1.6
446.21133	1.1
447.22577	2.9
448.14725	0.6
448.20477	1.1
449.14932	1.0
449.19916	1.8
450.15872	2.5
451.17566	2.1
452.22165	0.9
460.18491	2.2
461.18344	1.1
461.23544	2.0
462.23840	3.7
463.16486	0.7
463.21939	4.0
464.17877	1.0
465.18747	15.2
466.19455	2.5
467.21042	1.0
474.20071	0.7
475.21194	1.1
477.18753	1.2
478.20056	2.5
479.20508	6.8
480.21390	8.0
481.22134	4.3
489.22858	2.2
490.20349	1.6
491.20477	2.1
492.21634	4.1
493.23178	5.0
494.22879	1.9
503.20599	0.8
504.21109	2.1
506.23328	1.1
507.23938	6.6
508.21906	1.7
517.22394	2.2
518.21027	0.9
519.20349	0.7
520.20966	1.5
521.25293	1.7
522.24335	0.6
535.23328	9.5
536.23993	1.1
537.21692	0.6
539.26349	0.6
540.23517	0.8
541.24030	1.1
549.24921	15.3
550.24664	1.5
552.23773	1.8
553.24310	1.6
567.25916	86.4
568.26178	10.3
577.24274	2.2
581.27582	0.6
595.25403	100.0
596.25726	13.6
609.26825	1.3
627.28003	75.7
628.28296	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	627.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	1.4
57.03424	1.6
57.07059	0.9
67.01830	0.3
67.05494	2.2
68.99767	0.9
69.07051	1.2
69.86144	2.5
69.95132	0.3
71.04598	0.6
71.04981	10.7
71.05369	0.7
71.08611	0.6
79.05488	1.3
81.07034	2.5
83.04960	0.4
83.08618	0.5
85.02892	9.1
86.09692	0.4
91.05463	1.1
93.07040	0.9
93.67903	0.4
95.08607	1.0
101.33683	0.3
103.64874	0.3
105.03387	2.6
105.07028	0.7
106.54697	0.3
107.04930	0.4
109.10114	0.6
111.00797	0.5
111.04482	0.3
119.08521	0.6
121.02870	0.8
121.10121	0.4
129.05455	1.2
131.08569	0.3
135.04416	0.5
147.04463	0.4
153.01807	5.0
155.63626	0.4
161.05963	0.5
165.01834	1.5
171.04355	0.5
179.03375	0.4
185.05896	0.6
187.03934	0.8
197.05969	0.8
199.03844	1.6
211.03928	0.4
211.07408	0.5
213.05476	1.2
215.03352	0.3
216.04259	0.3
225.05510	0.7
227.03368	1.1
227.06891	0.4
237.05362	0.7
239.03360	0.8
239.06909	0.5
241.04959	0.8
253.05008	1.1
255.06491	0.5
266.05588	0.7
267.06415	1.5
269.04370	0.8
271.02460	0.4
273.03983	0.4
275.06824	0.5
277.04913	1.9
278.05740	0.7
279.06494	0.9
281.04602	0.6
281.08212	0.8
284.03287	0.5
293.04343	3.0
294.05197	0.8
295.06052	2.6
297.03815	1.3
298.59872	0.4
299.05377	0.6
305.04401	0.8
306.05173	13.9
307.05896	1.7
308.06604	0.4
309.03967	1.5
311.05472	1.0
319.06192	0.4
321.04004	0.6
322.04672	3.1
323.05457	5.2
325.03363	2.3
325.07065	0.8
327.04694	0.4
329.17426	1.2
334.04483	0.4
334.70468	0.4
335.05325	1.0
337.03342	2.3
337.14383	0.5
339.04932	1.6
347.05444	0.9
350.04205	1.3
351.04904	9.8
351.15854	1.2
353.06561	6.0
354.06683	0.4
357.16833	0.7
362.07813	0.4
363.05011	0.4
367.08194	0.5
379.07999	0.7
379.15347	0.4
397.16238	1.2
419.18439	7.6
435.18063	3.8
445.16110	0.5
453.19049	1.3
463.17462	100.0
464.17984	3.4
466.29269	0.4
481.18518	16.3
482.18777	0.6
505.18924	0.5
628.34644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17563	0.2
55.01850	0.2
57.03403	0.6
61.02916	8.2
62.10892	0.2
65.03942	0.2
68.99757	0.5
69.03407	1.3
69.95070	0.2
70.03233	0.2
70.06579	0.3
70.41767	0.3
70.42115	0.7
71.04987	0.2
73.02904	2.6
81.03390	0.8
85.02891	9.2
85.89011	0.2
91.03940	6.0
93.03379	0.4
95.04961	0.2
97.02871	4.2
99.04440	0.7
101.02367	0.3
109.02860	0.7
111.00771	0.7
113.14921	0.2
115.03905	0.6
116.75560	0.2
121.02817	0.7
124.63493	0.2
127.03903	2.7
135.04405	0.2
137.02313	2.7
138.67732	0.2
145.04915	2.3
146.16901	0.2
149.02359	0.4
153.01802	2.8
158.56192	0.2
163.03879	0.5
163.05980	2.0
165.01819	1.8
166.02625	0.4
173.05946	0.4
174.17934	0.2
183.02893	0.7
187.03856	0.3
191.03369	0.2
201.05386	1.4
229.04936	3.4
247.05960	0.6
257.04398	2.3
274.04703	0.7
275.05414	0.2
285.03842	0.9
286.04709	0.2
303.04935	100.0
304.05319	2.8
315.04871	1.4
327.04996	0.4
340.35696	0.2
341.06512	0.4
345.05823	1.2
369.06027	1.2
411.06848	0.3
423.23077	0.2
429.08054	0.4
443.02377	0.2
447.08963	0.2
465.10260	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	627.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01837	0.3
57.03411	0.8
61.02605	0.3
61.02916	5.6
61.98062	0.2
63.30311	0.2
67.05891	0.2
68.99782	0.3
69.03423	2.1
70.19469	0.5
70.19881	0.6
71.04955	0.5
73.02895	1.6
81.03405	1.1
83.84644	0.2
85.02889	12.2
87.04478	0.3
91.03939	4.4
92.92355	0.2
95.04938	0.3
97.02876	4.3
99.04398	0.6
101.02307	0.2
109.02827	1.2
111.00761	0.4
115.03893	0.3
121.02841	0.9
123.04384	0.3
127.03891	3.0
137.02289	2.2
145.04939	3.6
145.20224	0.2
149.02249	0.3
153.01782	2.8
156.19011	0.2
163.03860	0.6
163.05981	1.9
165.01793	1.6
173.06013	0.4
183.02858	0.5
187.03867	0.3
201.05487	1.1
201.07069	0.2
205.05022	0.3
219.02905	0.3
219.06360	0.3
228.04129	0.2
229.04921	3.2
247.06012	0.6
257.04379	2.0
274.04684	0.7
285.03970	1.2
303.04938	100.0
304.05276	4.7
315.04825	0.4
341.06717	0.3
345.06116	0.5
369.06088	0.3
465.10455	1.3
465.15866	0.2
571.89117	0.2
577.47290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.1
55.01825	0.2
55.02076	0.1
57.03390	0.4
60.65992	0.1
61.02914	4.8
61.87172	0.1
65.73685	0.1
68.99759	0.4
69.03413	0.8
70.03735	0.1
71.31303	0.2
73.02898	1.2
77.73999	0.1
81.03371	0.4
85.02886	4.2
86.03190	0.1
91.03935	2.7
93.03364	0.2
94.96732	0.1
95.04903	0.1
97.02875	2.4
99.04413	0.3
109.02858	0.5
111.00784	0.8
115.03887	0.2
121.02832	0.7
123.04371	0.1
127.03894	0.8
135.04355	0.1
137.02312	2.9
137.03320	0.1
145.04903	0.6
145.06482	0.1
149.02412	0.4
153.01785	2.9
161.05948	0.2
163.03883	0.7
165.01797	1.7
166.02611	0.2
172.07098	0.1
173.05891	0.3
175.99820	0.1
183.02881	0.6
183.04260	0.1
187.03859	0.3
191.03398	0.2
193.05017	0.1
195.02831	0.2
201.05432	1.3
205.04860	0.1
213.05441	0.1
215.03328	0.2
219.02895	0.2
219.06511	0.2
228.04089	0.2
229.04915	3.7
230.05217	0.1
246.05196	0.1
247.05943	0.8
257.04391	2.5
258.04767	0.1
274.04758	0.6
275.05310	0.2
285.03894	1.1
286.04456	0.2
290.61057	0.1
302.04202	0.1
303.04922	100.0
304.05258	3.4
315.04932	0.1
345.05936	0.3
369.06082	0.1
465.10199	11.9
466.10446	0.4
534.58911	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	627.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.01847	0.3
57.03432	0.5
58.71096	0.1
59.69678	0.1
59.77034	0.1
61.02914	1.1
65.03909	0.1
68.99780	0.2
69.03417	2.3
69.49789	0.6
69.50214	0.4
71.04962	0.3
73.02882	0.4
78.78915	0.1
81.03408	1.1
82.19009	0.1
83.01342	0.1
85.02888	6.9
87.04433	0.2
91.03922	0.4
91.05433	0.1
93.03376	0.2
97.02875	2.6
99.04426	0.3
99.57416	0.1
109.02866	1.0
111.00774	0.8
118.08515	0.1
121.02845	0.8
123.04401	0.2
127.02975	0.2
127.03890	1.6
135.04391	0.1
137.02315	2.5
145.04939	1.1
145.06172	0.1
145.06493	0.1
149.02306	0.5
153.01801	2.7
161.05943	0.2
163.03893	0.6
165.01813	1.9
166.02634	0.2
173.05974	0.3
183.02908	0.6
183.04305	0.2
187.03914	0.2
191.03346	0.2
195.02911	0.1
201.05435	1.0
205.05022	0.1
207.03044	0.1
215.03441	0.2
219.02975	0.1
219.06512	0.3
229.04926	3.3
235.06145	0.1
244.47562	0.1
247.06041	0.7
257.04407	2.4
258.05051	0.1
274.04758	0.6
275.05276	0.1
285.03958	1.3
286.04578	0.1
303.04932	100.0
304.05249	2.4
315.04803	0.1
319.04395	0.3
345.06128	0.2
465.10214	9.9
466.10516	0.4
534.02014	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	627.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.0
55.01802	0.5
55.05491	0.9
57.03428	5.0
59.04983	0.4
60.04493	0.6
60.97060	0.5
61.02913	0.5
62.52761	0.4
67.05488	0.8
68.99718	0.4
69.03394	1.3
69.07039	0.4
70.06579	0.5
70.98396	1.3
71.04982	42.5
73.02893	1.0
75.00084	0.4
75.04446	1.1
77.67054	0.4
79.05457	0.5
81.03389	1.0
81.07018	0.8
83.04939	1.2
85.02892	42.4
86.09685	0.6
86.84865	0.4
87.04430	1.1
91.05444	0.8
93.06995	1.1
93.11485	0.4
95.04933	0.8
95.08549	0.9
97.02846	1.5
99.04428	0.6
105.03338	0.7
105.06994	0.6
107.04897	0.5
107.08566	0.4
109.02853	0.8
111.04417	0.9
117.05450	0.6
119.08557	0.5
121.02808	1.6
121.10069	0.4
123.04415	1.8
127.03856	1.6
129.05472	8.4
131.43051	0.4
133.10051	0.7
135.04370	0.6
137.02310	2.6
137.05940	1.0
140.10632	0.5
140.69388	0.5
145.02786	1.3
147.04460	2.0
147.06450	1.7
149.05898	0.5
149.13379	0.4
153.01799	1.0
163.03860	2.0
167.06944	0.4
177.05434	1.7
187.02287	0.4
203.03349	1.6
216.04247	0.5
227.03320	0.6
243.02815	0.8
244.03647	1.7
245.12836	0.4
253.04857	0.6
255.02873	0.9
257.04349	1.4
271.02344	13.8
272.02545	0.7
277.38190	0.5
285.03745	0.7
287.05463	0.7
289.03345	1.4
303.05222	2.2
312.02664	0.4
313.03455	0.7
315.05075	0.7
319.05930	2.8
320.06567	0.5
323.05362	0.6
331.05951	1.0
332.27881	0.4
335.05588	0.6
337.07162	1.1
347.05429	1.9
349.03119	0.6
365.06497	3.2
375.04929	0.7
376.05713	1.6
393.05820	0.9
404.04684	0.6
405.06055	0.5
421.05475	92.0
422.06082	11.5
429.49802	0.4
433.05511	1.2
449.08734	0.7
463.06345	0.7
475.06244	1.1
481.07571	100.0
482.07977	5.7
483.09158	0.6
523.08545	0.7
627.11023	1.1
627.22327	0.5
627.37579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
56.05016	0.4
57.07056	1.6
61.02898	0.5
67.05479	1.6
68.05010	2.1
69.03413	1.1
69.07035	1.2
69.58758	2.5
69.59194	1.6
70.02936	0.8
71.08616	2.6
79.05439	0.6
81.03381	0.8
81.07030	2.8
81.42886	0.4
81.63581	0.4
82.06552	2.0
85.02860	1.2
85.10143	1.4
91.05423	0.6
91.61268	0.4
93.07007	1.0
95.08570	2.6
96.04478	1.0
97.02892	0.5
105.01096	0.4
105.07017	0.6
107.08549	0.9
119.08550	0.8
121.10123	0.5
127.18601	0.4
130.76402	0.4
143.90480	0.4
155.14261	0.6
165.06935	1.0
178.07700	0.5
179.08531	0.5
189.06960	42.0
190.07509	1.3
191.08511	2.7
193.06436	0.4
198.18489	14.2
203.08566	1.3
204.08086	0.7
206.07236	0.7
207.08044	1.5
208.17027	1.1
210.18419	0.4
215.08524	3.5
216.07890	0.6
217.06444	100.0
218.06895	2.1
219.08040	0.9
221.09518	0.9
223.07501	1.3
230.09630	0.8
231.07954	1.1
231.10216	0.7
232.07657	1.5
232.11169	1.5
233.08179	2.1
234.06773	3.1
240.19604	0.5
243.07942	1.9
249.09079	40.9
250.09291	0.6
258.09103	1.5
259.09875	0.6
260.08282	0.9
260.10635	4.5
261.07803	30.5
262.08414	1.2
263.10577	1.5
275.10611	2.6
276.10141	44.4
277.10770	1.1
286.08588	0.9
292.13278	2.4
335.81061	0.4
369.21530	0.5
386.24741	1.2
389.13358	0.5
414.24359	2.2
428.25641	1.2
446.26834	45.1
447.27103	1.5
464.27945	19.6
497.27158	0.4
528.37891	0.6
608.43103	0.5
626.24469	0.6
626.33325	6.4
626.43646	0.9
637.70758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
54.97583	0.2
55.01867	0.4
55.05507	1.2
57.03426	0.6
57.07057	0.3
67.05493	2.9
69.03391	0.2
69.07045	0.9
69.97785	0.7
69.98215	0.7
75.04459	0.2
77.62061	0.2
79.05480	2.4
80.72297	0.2
81.03412	0.6
81.07042	2.9
83.08585	0.7
91.05460	2.4
91.39100	0.2
93.07020	2.3
95.04943	1.2
95.08611	1.8
97.06508	0.3
97.10139	0.6
98.98470	0.3
105.06997	1.4
107.04908	0.5
107.08572	1.4
109.06535	0.8
109.10135	0.6
113.05991	0.6
117.06996	0.7
119.08589	0.9
121.10126	1.0
123.08057	0.3
123.11712	0.3
129.06985	0.9
131.08549	1.3
133.10138	0.8
135.07114	0.2
135.08069	0.9
135.11662	0.5
137.09538	0.3
143.08566	0.6
145.10118	0.9
147.11693	0.5
149.09540	0.5
149.13249	0.4
157.10127	0.7
157.12743	0.2
159.11667	0.5
171.11746	0.4
175.11255	0.2
183.11646	0.4
193.12225	0.4
227.17882	0.3
231.02245	0.2
235.14815	0.2
273.18512	1.2
275.20035	0.5
291.19431	1.7
335.25867	0.8
347.21957	0.3
363.15720	0.2
376.16693	0.3
377.17621	1.0
379.19000	1.1
390.18521	0.6
391.14725	0.4
391.19467	1.2
392.20099	1.4
393.20520	1.5
403.19208	0.5
404.20306	0.3
405.16299	2.1
405.21030	0.9
406.17206	1.3
406.22397	0.3
407.22662	4.5
408.23221	1.1
417.20969	0.4
418.17355	0.4
418.22186	0.3
419.18195	3.8
419.23459	0.4
420.18918	1.8
421.20062	2.8
421.24353	0.3
422.20828	0.3
431.18616	0.9
432.19617	0.5
433.19766	5.1
434.20782	3.9
435.21796	6.8
436.22330	0.7
437.23508	0.5
445.20377	0.9
446.20514	0.4
447.21848	1.7
448.22891	0.4
449.19254	3.4
450.19693	0.6
451.25552	1.1
452.25583	0.6
453.33600	0.3
459.21677	0.4
460.22736	0.6
461.23764	1.6
462.24777	0.3
463.20999	2.6
464.21695	1.6
465.23099	2.1
471.35123	0.3
477.22501	1.6
478.23459	5.0
479.24759	4.3
480.24634	0.6
489.22552	0.3
491.24921	1.1
492.25235	0.5
493.22009	0.4
493.26630	0.5
505.26581	1.2
507.23819	0.5
510.26031	0.4
521.25403	9.8
522.25543	0.7
523.22717	1.6
527.37280	4.3
533.25458	0.4
537.24530	1.1
547.26910	1.3
549.25043	0.4
550.26031	0.4
565.28021	21.5
566.28101	2.1
581.27509	2.8
582.27832	0.4
593.27435	0.8
597.30652	0.6
607.28735	1.1
607.43427	0.7
625.30090	100.0
626.30396	7.6
626.38519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
55.70827	0.2
56.13662	0.2
57.03432	0.3
67.05487	2.3
69.07056	1.1
70.87518	0.7
79.05477	1.9
81.03408	1.2
81.07047	2.0
83.04971	0.4
83.08603	0.5
91.05462	1.9
93.07023	1.8
95.04964	0.4
95.08605	1.4
97.10146	0.4
103.05477	0.3
105.07027	1.4
107.08597	0.8
109.10155	0.7
110.04533	0.2
116.51513	0.3
117.07023	0.7
119.08556	1.3
121.10142	0.8
123.08015	0.3
123.11703	0.3
129.06978	0.4
131.08546	0.9
133.10127	0.8
135.08060	0.5
135.11694	0.4
139.42804	0.3
143.08551	0.6
145.10138	0.9
147.08029	0.4
147.11658	0.4
149.09689	0.4
149.13342	0.4
157.10074	0.5
159.11743	0.5
163.11139	0.4
171.01352	0.2
173.13150	0.3
185.13193	0.3
273.18451	1.0
275.20175	0.5
335.25677	0.3
379.15283	0.3
389.18091	0.3
390.18375	0.3
391.19196	0.8
392.19974	0.8
394.17447	0.3
403.19385	0.4
404.20102	0.3
405.21393	1.3
406.21561	0.7
407.18112	0.3
407.22833	0.4
417.21237	0.5
418.17307	1.5
419.18640	1.5
419.22952	0.8
420.23410	3.1
421.19580	0.4
421.24020	0.8
422.16962	0.5
431.18521	0.4
432.19153	1.6
433.19861	4.6
434.20853	1.2
435.21924	0.9
437.23358	0.8
445.20804	0.4
446.20749	1.2
447.21585	3.9
447.27243	0.3
448.22385	2.1
449.19296	2.8
450.15863	1.8
451.25232	2.3
452.25635	0.7
459.22021	0.4
460.22516	0.4
461.23450	0.7
463.20810	2.8
464.21875	2.8
465.22760	4.1
477.22595	2.0
478.23611	6.1
479.24612	8.5
480.24478	0.9
491.24863	2.5
492.24780	1.1
493.26123	0.4
495.24213	0.4
505.25958	1.1
507.23801	0.8
510.26486	0.4
519.23938	0.6
520.24622	0.4
523.22870	2.0
527.37305	1.4
533.26263	0.5
534.26141	1.1
535.26978	0.6
536.20941	0.8
537.25378	1.7
538.25592	0.3
550.25433	0.5
551.26392	0.5
565.28369	25.3
566.28900	2.5
593.27234	0.7
594.28229	0.8
596.26221	0.4
597.30530	0.9
607.43701	0.6
625.30096	100.0
626.30493	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	625.1752
Annotation	isorhamnetin-3-rutinoside
Peak:m/z	Relative Intensity
53.90370	0.4
55.05492	0.8
57.03417	1.6
61.02906	0.9
67.05468	0.5
69.03417	2.6
70.06581	2.7
71.04978	10.3
71.31287	0.9
71.31643	0.7
73.02874	0.5
75.04459	0.5
78.11002	0.4
79.05461	0.5
81.03402	1.5
81.07046	0.8
83.04971	1.2
85.02888	17.5
86.09686	0.5
87.04446	0.6
91.05471	0.8
93.03375	0.5
93.07024	1.0
95.04987	0.9
95.08575	0.5
97.02866	2.4
97.06506	0.7
99.04429	1.1
102.68120	0.5
105.03381	0.6
105.06991	0.8
107.04929	0.9
107.08595	0.6
109.02869	1.9
109.06464	0.6
111.04417	1.4
113.34708	0.4
117.03320	0.6
119.04940	0.5
119.08570	0.6
120.08116	0.7
121.02846	1.6
123.04430	0.9
127.03917	3.4
129.05443	3.8
133.10103	0.9
133.18745	0.4
135.04375	1.1
137.02322	0.9
137.05965	0.7
139.03873	0.9
145.02831	1.4
145.04961	1.3
145.10080	0.5
146.05936	0.5
147.04376	2.0
147.06508	0.9
151.03911	1.6
153.01807	4.9
155.53270	0.4
157.09836	0.6
160.76628	0.5
162.20900	0.5
163.03868	8.6
165.01778	0.8
177.05501	1.9
191.08546	0.7
203.03429	0.6
218.05615	0.5
219.08051	0.8
228.04111	0.8
229.04982	2.6
245.04410	0.9
246.05200	1.1
251.10635	1.4
257.04413	1.2
268.13379	0.9
273.03906	1.2
274.04694	2.9
285.03931	3.6
287.05441	0.9
302.04184	9.6
303.04871	1.3
311.01706	0.7
317.06500	100.0
318.06784	2.6
324.48758	0.5
397.12851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1753
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.03934	0.3
55.01849	0.3
55.05492	0.3
57.03426	2.1
59.04967	0.1
61.02903	0.6
69.03416	1.4
69.69462	1.1
70.06550	0.2
71.01323	0.2
71.04977	10.8
73.02898	0.4
75.04460	0.5
81.03380	0.6
83.04955	0.5
83.08585	0.1
85.02888	15.8
87.04447	0.4
91.03937	0.2
92.02595	0.5
93.03373	0.6
97.02881	1.3
99.04428	0.3
100.07576	0.2
100.11223	0.5
109.02849	0.4
111.00761	0.2
111.04425	0.5
113.27848	0.1
121.02853	0.4
126.03136	0.3
127.03867	0.8
128.07014	0.2
129.05452	3.7
137.02258	0.2
139.03885	0.6
145.04927	1.0
147.06509	1.0
151.03920	0.6
153.01788	3.8
165.01807	0.4
174.72105	0.1
177.05411	0.2
182.15375	0.7
186.13121	0.1
201.05394	0.2
203.03304	0.2
209.16414	0.2
210.14891	0.9
217.04926	0.3
218.05786	0.3
228.04112	0.8
229.04900	2.1
231.02704	0.1
245.04369	0.5
246.05188	1.3
256.03656	0.2
257.04419	2.2
260.03110	0.3
261.07724	0.2
271.06064	0.2
273.03845	1.1
274.04660	3.3
284.03137	0.3
285.03864	3.1
286.04300	0.3
302.04150	9.8
303.04742	0.4
317.06494	100.0
318.06857	2.8
329.06201	0.2
337.21075	0.2
359.07727	0.2
479.11710	0.4
498.79660	0.2
625.42609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1756
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.03930	0.2
55.01855	0.2
55.05494	0.2
57.03423	1.3
61.02906	0.5
65.03932	0.2
67.05495	0.2
67.32053	0.1
69.03419	0.9
70.10166	0.8
71.04980	8.6
73.02905	0.2
75.04462	0.4
79.05482	0.2
81.03412	0.7
81.07037	0.4
83.04967	0.5
85.02892	12.0
87.04457	0.3
91.03922	0.2
93.03403	0.3
93.07014	0.2
95.04955	0.4
95.08582	0.3
97.02869	1.2
99.04462	0.4
105.07018	0.2
109.02860	0.6
109.10157	0.2
111.04438	0.5
117.03397	0.1
121.02886	0.7
121.10069	0.2
122.09679	0.2
123.04375	0.7
123.08041	0.3
125.02335	0.3
127.03885	0.8
129.05458	2.4
135.04332	0.2
137.02309	1.8
137.05965	0.2
139.03873	0.3
140.10681	0.3
141.05446	0.3
145.02859	0.2
145.04970	0.7
147.04393	0.1
147.06487	0.7
149.02350	0.3
151.03867	0.7
163.03857	0.5
167.03371	2.5
170.47879	0.1
173.05913	0.1
177.05521	0.2
179.03377	1.2
180.04118	0.2
181.04922	0.2
197.04404	0.5
200.04662	0.2
215.07048	1.0
219.02933	0.2
227.06808	0.2
228.04248	0.2
243.06497	2.6
256.03629	0.1
257.04175	0.2
261.07513	0.5
271.05997	1.5
273.04065	0.2
274.04681	1.7
279.74893	0.2
288.06302	0.7
299.05432	0.6
302.04156	1.9
317.06503	100.0
318.06873	2.0
331.08044	0.9
408.30453	0.2
416.14703	0.2
426.31931	0.3
479.11703	0.6
625.23456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1544
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03933	0.2
63.02377	0.2
67.01849	0.7
67.05489	0.2
67.57590	0.1
68.99774	0.6
69.03407	0.5
69.07038	0.1
70.06567	0.2
71.04974	0.2
71.81683	0.2
79.05479	0.3
80.15362	0.1
81.03408	2.0
81.07011	0.2
81.65394	0.1
85.02894	0.7
86.09730	0.2
89.03903	2.3
91.05447	0.3
93.07008	0.2
95.04956	0.2
95.08582	0.4
97.02864	0.2
97.06502	0.1
99.04440	0.2
105.07017	0.1
107.04952	0.1
109.02867	0.8
109.10121	0.2
111.00791	0.1
117.03359	6.3
119.04911	0.2
121.02878	0.2
121.06438	0.1
123.04430	0.2
124.05022	0.1
127.03864	0.6
129.01791	0.3
133.10101	0.1
134.03619	0.4
135.04391	2.3
137.02306	0.9
145.02821	17.5
146.03149	0.3
147.04381	0.5
149.04834	0.2
149.05963	2.5
151.03882	0.2
153.01804	5.4
158.06052	0.2
161.02330	1.1
163.03874	2.7
166.51743	0.1
171.02855	1.8
177.05443	41.5
178.05788	0.8
179.03310	0.4
181.04970	0.1
186.05441	0.7
195.06488	0.5
203.03401	0.1
213.05505	0.2
219.06590	0.4
222.49059	0.1
231.06593	0.1
241.04871	0.8
245.04335	0.2
258.05234	1.2
259.06009	0.3
269.04337	0.4
286.04648	3.1
287.05447	100.0
288.05774	3.5
301.07019	9.9
302.04272	0.2
302.07404	0.4
317.06348	0.3
321.09665	2.6
322.09573	0.1
329.06467	0.1
339.10712	1.8
396.18851	0.1
588.96930	0.1
625.15454	1.0
625.30878	0.2
626.15021	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01853	2.0
55.05494	4.3
56.05020	3.5
57.03430	0.9
60.04497	1.8
60.67538	1.0
61.70858	0.8
67.05492	16.5
69.03420	4.7
69.07047	3.5
70.06583	1.4
71.04983	5.2
71.81879	1.1
72.55903	0.8
79.05479	15.6
80.04989	3.2
81.03406	4.0
81.05767	2.1
81.06592	1.5
81.07043	18.8
82.06557	3.4
83.04970	1.8
83.08612	3.0
85.02888	4.5
85.06515	3.0
87.04440	4.2
88.65428	0.8
91.05462	7.2
93.07033	25.6
94.06551	18.8
95.04941	3.9
95.08591	29.1
96.08100	3.1
97.02883	2.0
97.06509	7.3
97.10101	1.9
99.04441	1.2
99.08069	0.9
103.03939	1.5
103.05441	1.3
105.03394	1.2
105.07015	13.3
107.07317	2.4
107.08569	3.7
109.02882	5.3
109.10107	4.8
109.94323	1.0
110.09012	1.2
110.09675	11.3
111.08061	13.7
119.04910	1.1
119.08546	1.4
121.02853	2.0
121.06498	1.1
121.10120	3.7
122.09644	36.1
123.08043	30.5
123.11681	2.3
125.09575	0.9
127.03898	5.0
128.10696	30.2
131.08418	1.0
133.10118	7.2
134.10419	1.7
135.04401	0.9
135.11673	4.3
137.02287	0.9
137.05963	2.5
137.09589	3.3
138.09918	1.4
140.10678	100.0
141.08083	1.6
141.09091	15.7
141.10976	1.7
142.12233	1.6
145.04942	1.0
147.04362	3.2
149.13240	2.7
151.03831	1.2
152.87386	0.9
158.11751	8.5
159.11797	1.0
163.03856	1.8
177.05504	1.1
191.14297	3.0
192.14648	0.8
205.19518	3.3
223.20589	1.3
250.09833	0.9
265.12097	2.9
268.22556	4.7
279.06491	2.0
282.14926	1.6
282.20694	0.9
286.23615	4.0
304.94183	0.9
312.25262	1.0
360.28946	1.9
372.28729	1.3
378.29944	5.1
390.29865	7.3
396.30881	2.3
408.31027	77.5
409.31433	2.3
426.32077	77.6
427.32190	2.4
444.33105	15.9
534.21716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.6
55.01855	7.4
55.05502	24.9
57.03419	10.4
57.07058	2.0
59.04983	4.1
61.02903	3.6
65.03928	3.4
67.05495	57.8
69.03421	25.1
69.07058	16.3
69.36266	2.0
70.06557	2.2
70.97977	6.0
71.01343	2.3
71.04972	11.5
73.02911	2.9
79.05482	47.3
81.03407	100.0
81.07045	82.2
81.07530	3.7
82.07397	2.4
82.79347	2.1
83.04971	23.2
83.08609	23.6
85.02509	2.2
85.02913	24.0
85.06525	4.0
86.09679	1.8
91.03967	2.1
91.05467	52.3
93.07034	52.2
95.04958	27.8
95.08591	25.7
97.02871	17.3
97.06532	11.1
97.10160	9.8
99.04425	5.9
99.08089	2.6
105.03374	5.5
105.04501	2.1
105.07015	39.8
107.04951	12.3
107.08561	23.3
109.02872	16.6
109.06511	7.1
109.10166	8.5
111.04444	12.9
111.08077	11.7
111.69134	1.8
115.05500	2.3
117.07012	13.5
119.04885	2.4
119.08563	25.9
121.06497	7.5
121.10124	18.3
123.04430	4.9
123.11697	6.8
125.09622	6.6
127.03875	10.2
129.06947	11.4
131.04936	3.0
131.08559	22.4
133.06490	5.0
133.10085	17.2
135.08084	2.5
135.11702	5.1
137.05989	6.0
137.09662	2.5
141.06949	3.0
142.07788	2.2
143.08553	5.6
145.06453	4.4
145.10103	8.0
147.08023	7.2
147.11649	16.5
147.12685	2.1
149.09644	7.7
149.13228	11.5
155.08557	4.2
157.10149	13.3
159.08167	2.4
159.11716	7.8
163.11206	5.0
165.12807	8.5
171.08122	3.2
171.11703	3.7
173.04468	4.1
173.05977	2.7
173.09673	2.7
175.11201	10.8
177.12744	6.8
181.12260	4.0
183.06558	2.3
183.11665	2.7
184.07336	3.3
189.11211	3.8
189.12750	3.8
191.10681	3.7
191.35817	1.9
193.12230	26.0
195.13789	9.9
201.12764	2.8
211.13260	45.6
213.14783	2.4
227.12703	9.6
235.13364	2.5
249.14964	4.2
267.15948	13.5
269.17450	14.7
273.14615	2.6
275.16769	3.0
277.14182	2.4
283.15378	2.4
285.17050	11.5
291.16238	2.3
291.65219	2.2
301.14407	3.4
303.16003	4.1
321.17099	3.1
337.16437	3.3
339.18079	7.9
351.23108	4.5
369.24304	6.7
377.19595	3.3
387.25323	3.9
395.20627	7.0
411.20169	5.2
413.21936	3.0
435.27603	2.5
443.27954	11.1
461.28918	53.7
462.29041	2.7
479.30127	17.8
503.29916	2.7
539.30017	2.1
545.31152	4.2
569.31445	4.1
578.73425	2.1
587.31976	6.7
605.33105	17.0
609.53369	2.3
623.34222	91.4
624.34692	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	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.3
53.03931	8.5
55.01872	6.6
55.05500	26.1
57.03425	14.9
57.07076	1.6
59.04983	2.3
61.02916	3.4
65.03928	3.2
66.07266	1.4
67.05494	54.8
69.03423	21.1
69.07056	17.4
71.01347	1.7
71.04984	9.2
71.08602	1.4
71.81056	1.7
73.02927	3.4
79.05478	47.5
81.03406	98.4
81.07045	69.6
81.07533	3.2
83.04970	19.4
83.08608	20.8
85.02894	28.1
85.06546	5.4
86.51810	1.5
91.05463	50.3
91.06012	2.8
93.07030	49.8
95.04955	28.3
95.08595	22.7
97.02881	17.5
97.06516	11.8
97.10168	9.7
99.04455	6.4
99.08082	3.1
101.02386	2.0
105.07018	35.3
105.07703	2.4
107.04951	10.6
107.08580	25.7
109.02863	16.3
109.06518	6.7
109.10152	9.5
111.04411	9.8
111.08060	13.3
115.05452	2.8
117.06992	12.7
119.08556	20.8
121.02934	1.7
121.06483	8.2
121.10124	18.6
121.10950	1.9
123.04391	3.0
123.08082	3.1
123.11727	5.7
125.09650	6.2
127.03907	11.4
128.06209	1.6
129.06982	13.6
131.04922	3.1
131.08537	17.4
133.06509	6.1
133.10106	15.2
133.10970	1.4
135.08099	2.9
135.11659	7.2
137.05966	2.1
137.09619	2.1
141.07005	2.6
142.07788	2.8
143.08519	6.9
145.06454	7.5
145.10118	7.8
147.04428	2.2
147.08078	5.6
147.11664	17.6
149.05957	2.2
149.09669	5.5
149.13237	11.1
153.12767	1.6
155.08525	3.1
157.10120	10.3
158.13887	1.5
159.08032	4.3
159.11674	9.9
161.09624	1.7
163.11203	4.4
165.12813	6.0
169.10153	2.5
171.08002	2.0
171.11603	3.6
173.04491	5.1
173.05925	1.7
173.09676	2.8
173.13367	2.2
175.11148	9.9
177.05527	2.6
177.12799	5.6
181.12260	2.1
183.11607	2.5
187.11250	1.9
189.11261	3.7
193.12178	27.8
193.13641	2.0
195.13733	9.3
199.11194	1.5
201.12785	1.7
211.13246	44.5
211.15039	3.1
213.14871	2.8
217.16162	1.6
219.13782	1.6
227.12851	5.2
231.13930	1.7
235.13335	2.6
239.83325	1.6
243.13902	2.3
249.15067	1.6
257.15387	2.7
261.15100	3.8
267.15833	16.9
269.17517	14.9
273.14828	2.7
275.16736	2.1
277.14471	2.1
285.17175	7.1
287.16605	1.5
301.14587	2.7
302.24365	1.5
303.16043	2.5
309.16971	2.6
321.16837	2.6
326.02264	1.4
337.16296	2.0
339.18057	6.8
351.23001	2.5
355.17447	3.4
359.18503	1.6
369.24323	5.4
375.18204	2.0
377.19650	2.4
387.25357	2.6
393.19128	2.5
395.20724	6.5
411.20160	3.2
435.27454	2.3
443.27838	11.4
461.28931	35.4
462.29633	2.0
477.28311	1.8
479.30020	19.0
495.29321	1.7
503.30191	2.4
545.31378	4.0
551.29773	2.4
569.30652	3.4
587.32257	6.1
605.33087	15.6
623.34259	100.0
624.34882	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	623.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01860	6.7
55.05500	28.5
57.03424	13.7
57.07058	2.1
59.04994	1.6
61.02915	2.8
65.03947	2.2
67.05492	51.9
69.03423	19.6
69.07063	16.2
71.04983	11.0
71.81255	2.7
73.02885	2.2
79.05019	1.6
79.05482	42.8
81.03404	100.0
81.07037	67.4
83.04961	22.4
83.08605	25.2
85.02893	26.2
85.06528	3.0
91.05459	41.7
93.07024	47.1
95.04956	29.7
95.08591	21.2
97.02866	15.1
97.06511	8.5
97.10174	6.8
99.04464	5.7
105.03400	1.9
105.07018	30.2
107.04933	12.1
107.08585	27.0
109.02844	13.8
109.06519	7.2
109.10123	7.5
109.37040	1.5
110.22147	1.7
111.04444	14.9
111.08076	13.1
115.05457	3.2
117.07003	11.9
119.08562	23.4
121.05791	1.5
121.06464	8.3
121.10119	15.8
121.44286	1.4
123.04446	4.9
123.08065	4.5
123.11726	5.6
125.09620	7.6
127.03889	10.5
129.06970	12.8
131.08551	18.9
133.06490	5.0
133.10126	16.4
135.08093	5.2
135.11697	6.4
137.05922	2.5
137.09659	2.8
141.06990	2.1
142.07794	2.0
143.08556	4.3
145.06482	6.3
145.10135	6.3
147.04416	2.7
147.08070	6.8
147.11630	17.6
149.05933	2.5
149.09625	5.7
149.13219	9.0
151.11208	1.7
153.12819	2.1
155.08519	3.7
157.06464	2.3
157.10072	11.0
157.20786	1.6
159.08043	2.6
159.11664	8.7
163.11166	7.5
165.12831	2.9
167.08588	2.3
169.10144	2.2
171.08038	2.3
171.11714	4.5
173.04468	2.3
173.09628	2.1
175.11127	8.7
177.12796	5.7
189.12724	2.2
191.10649	3.0
193.12206	30.5
193.13910	1.8
195.12125	2.1
195.13762	8.7
199.14648	1.7
207.13751	2.0
211.13245	41.1
211.15112	2.3
213.14810	2.5
219.13881	2.2
227.12810	6.5
231.13744	2.3
235.13115	3.9
249.14864	2.7
251.16550	3.4
259.13416	1.5
267.15903	16.9
269.17474	14.5
273.14792	2.4
275.16406	3.0
277.14340	3.0
285.17038	7.1
287.16556	1.7
301.14261	3.8
303.15942	3.1
319.15430	3.2
321.17172	2.0
339.18124	5.8
351.23108	2.0
355.17929	1.7
369.08813	1.6
369.24295	4.5
371.20770	2.0
375.18005	1.7
377.19461	2.7
387.25256	2.0
393.19217	3.0
395.20422	8.0
411.20102	4.4
413.21820	2.7
435.27588	3.0
443.27740	10.8
461.28918	38.7
462.29355	1.8
479.30075	17.7
485.29199	2.1
503.30338	5.9
545.31171	6.0
557.31476	3.1
569.30957	4.8
587.32257	5.8
605.33154	15.7
623.34204	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	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59299	0.2
55.05457	0.2
61.38328	0.2
67.05443	0.3
69.97733	1.2
79.05418	0.2
81.06989	0.5
86.97673	0.2
91.05432	0.3
93.06961	0.5
95.08562	0.4
98.21486	0.2
103.01130	0.2
105.06939	0.2
197.10648	0.2
201.08998	0.2
223.12138	0.2
233.10703	0.2
237.13814	0.4
249.13644	0.3
261.13510	0.2
350.16632	0.2
361.14993	0.2
362.15979	0.3
388.17679	0.3
389.18518	0.3
390.18246	0.3
391.19168	0.6
399.16046	0.3
400.17084	0.3
401.17432	0.5
402.18835	0.3
403.19363	0.8
404.20590	0.6
405.21237	0.4
412.17764	0.5
413.17703	0.9
414.18555	1.0
415.19443	1.7
416.19992	0.8
417.21011	0.5
418.17111	0.4
418.22195	0.3
419.18237	0.8
419.22278	0.9
420.18958	0.4
421.20242	0.6
427.19284	0.7
428.20090	1.3
429.20779	7.1
430.21722	1.4
431.17761	1.1
431.23355	0.3
432.19455	0.6
433.19403	0.4
433.23868	1.1
434.20914	0.7
435.22321	0.3
441.16501	0.3
442.21417	0.7
443.22421	4.2
444.23392	3.0
445.23779	1.6
446.16519	0.3
447.22574	1.6
449.23492	1.2
455.18683	0.5
456.19308	0.7
457.19714	1.1
457.24170	1.2
458.25067	2.9
459.21469	3.8
460.22781	2.2
461.19205	1.9
461.23611	2.1
462.20316	2.2
463.21188	0.5
470.21118	1.0
471.21744	1.2
472.22577	4.6
473.23740	2.4
474.20514	0.7
475.20694	1.6
476.21976	1.7
477.22873	2.9
485.23419	5.7
486.24173	1.6
487.25046	3.8
488.21695	0.5
489.23016	1.3
502.23590	0.7
503.24466	2.8
504.25037	0.4
507.23782	0.3
513.23157	0.4
515.20490	0.2
517.26141	3.6
518.23578	0.3
519.23639	0.7
520.24805	0.8
521.21173	0.9
531.23889	4.6
532.24420	0.5
535.26257	0.5
545.25415	49.5
546.25940	2.5
548.24060	0.5
563.26355	11.3
564.26794	0.5
577.28076	0.9
591.25867	0.6
594.24756	0.2
605.27454	4.6
623.28522	100.0
624.28662	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25680	0.6
55.05496	1.5
57.07054	0.8
67.05508	3.3
67.05804	0.7
67.80582	0.7
69.07051	1.2
71.66142	0.7
71.82104	1.1
79.05476	2.0
81.07040	2.9
83.04959	1.6
83.08588	0.7
91.05460	2.0
93.07034	2.7
95.08591	1.6
97.10145	0.8
105.07033	2.3
107.08601	1.4
109.10085	1.1
119.08562	0.8
121.04012	0.9
121.06482	1.6
121.10095	0.7
122.06837	0.7
131.08594	0.9
133.10112	2.1
135.11659	0.8
138.09097	0.8
139.04996	1.5
155.92560	0.6
159.08066	0.8
159.11407	0.7
181.70917	0.7
217.78812	0.7
271.16742	0.8
289.17990	1.5
389.17737	0.7
391.19391	1.9
392.20056	0.9
400.50082	0.6
405.20990	1.8
406.21439	2.5
407.22183	1.1
418.18039	2.2
419.18100	4.7
420.23230	4.4
421.23901	2.4
432.19394	2.1
433.20068	8.4
434.21024	1.9
435.21832	0.8
447.21967	5.4
448.22528	5.7
449.23230	2.9
461.19299	0.9
462.20865	0.9
463.21359	2.5
475.20804	1.5
476.21890	4.9
477.22784	7.6
479.24484	0.9
489.22922	2.2
503.24243	1.4
519.24109	1.1
521.22351	0.6
534.26294	2.7
535.27740	4.1
563.26428	26.4
564.26825	1.6
594.28082	1.3
595.28778	1.2
623.28534	100.0
623.42871	4.0
624.28687	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2853
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.05504	0.6
66.15987	0.3
67.05496	1.1
69.07053	0.6
70.12820	1.1
70.13243	0.6
79.05479	0.9
79.52718	0.3
79.65848	0.2
81.07044	1.2
83.04970	0.5
91.05463	1.2
93.07037	0.6
93.40868	0.3
95.08600	0.8
97.13572	0.3
98.09681	0.7
105.07037	0.6
107.08595	0.8
109.10133	0.5
115.05453	0.5
117.07023	0.7
119.08591	0.9
121.10126	0.5
129.07047	0.3
131.08517	0.5
133.10091	0.5
145.06494	0.6
145.10144	0.4
178.11447	0.3
189.11072	0.4
252.23225	0.4
271.16962	0.8
289.17978	0.4
361.31042	0.9
362.31201	0.3
375.16226	0.4
388.17123	0.6
389.17590	3.3
389.30878	0.6
390.18417	1.1
391.19260	2.4
401.17825	0.3
402.18576	0.7
403.15149	0.4
403.19388	3.1
404.19864	1.4
405.20752	8.6
406.21475	1.2
415.19397	0.5
416.20126	0.8
417.16489	6.1
417.21411	1.2
418.17252	2.6
419.18320	3.0
420.18915	0.4
431.18207	6.1
432.19330	7.1
433.20078	9.5
434.20999	0.6
435.21594	0.5
443.18439	0.4
445.20508	2.5
446.21201	0.7
449.23828	1.7
449.41058	0.8
450.24063	0.5
458.20932	0.4
459.21771	2.1
460.22324	0.5
461.19351	2.2
462.20520	1.3
463.21094	1.8
475.20865	1.6
476.22012	4.0
477.23380	4.3
487.21274	0.5
489.23315	1.4
491.25305	1.4
503.24698	0.8
504.21121	0.4
505.22275	0.5
507.24472	0.3
508.24844	0.5
519.23877	21.6
520.24445	0.7
521.22076	1.1
535.27325	0.5
545.25488	0.7
547.23419	0.9
548.24017	0.4
551.26727	0.6
563.26453	14.7
564.26697	0.9
579.25885	5.1
581.27368	0.4
591.25726	0.8
605.27759	0.5
605.40594	0.4
623.28540	100.0
624.28864	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	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38242	0.1
57.07055	0.2
67.05491	0.4
69.07030	0.3
69.98072	0.3
69.98478	0.9
79.05474	0.4
81.07027	0.5
83.04995	0.2
91.05475	0.4
93.07021	0.3
95.04893	0.1
95.08605	0.2
98.21350	0.2
105.07018	0.4
106.06522	0.2
107.08593	0.2
109.10125	0.2
117.23164	0.1
118.06531	0.2
119.08549	0.2
120.08025	0.2
133.10085	0.2
134.06067	0.2
144.08018	0.2
158.09703	0.2
183.09181	0.3
187.08876	0.2
194.03778	0.2
196.09796	0.2
197.10704	0.4
204.06578	0.2
209.10701	0.5
210.11328	0.2
211.08577	0.2
211.12280	0.2
221.10736	0.3
222.11667	0.3
222.66724	0.1
223.08720	0.3
223.12338	0.4
224.13008	0.2
225.10255	0.3
225.13969	0.2
233.10785	0.2
235.08607	0.2
235.12321	0.3
237.10242	0.3
237.13878	0.4
239.11867	0.2
247.12495	0.2
249.10243	0.4
251.11761	0.5
254.13971	0.2
263.08499	0.2
263.11646	0.2
267.14874	0.2
271.37952	0.1
284.12082	0.2
288.14499	0.2
289.18051	0.3
301.99362	0.2
312.14795	0.3
314.12924	0.3
314.16476	0.2
323.14288	0.2
324.14847	0.2
326.12958	0.2
340.14462	0.3
354.12399	0.2
354.16223	0.3
356.17578	0.2
361.31113	0.3
366.16125	0.2
375.16202	0.4
376.17209	0.3
377.17746	0.7
378.18341	0.2
387.16003	0.2
388.16931	0.2
389.17654	0.9
390.18628	0.8
391.19318	1.3
392.20035	0.5
393.20639	0.5
400.16199	0.2
401.17139	0.3
402.18265	0.3
403.15219	0.5
403.19751	1.0
404.16220	0.7
404.20959	0.8
405.16904	0.8
405.21417	1.7
406.16855	0.2
406.21863	1.3
407.22308	0.8
414.18332	0.3
415.19543	0.3
416.20340	0.3
417.16440	1.2
417.21268	0.6
418.17001	1.0
418.22186	0.4
419.17618	2.7
419.22678	1.6
420.19275	0.6
420.23758	0.3
421.24164	2.2
429.17191	0.7
430.17490	0.4
431.17383	1.1
431.22562	1.2
432.19043	1.2
433.19922	3.7
433.25824	0.2
434.20819	1.3
435.21707	1.4
443.18481	1.0
444.19333	0.5
445.20279	3.0
446.21301	1.4
447.16895	0.6
447.22534	3.9
448.22833	1.7
449.23364	4.7
450.23938	0.7
457.20288	0.6
458.21051	1.3
459.22153	1.6
460.22479	0.6
461.18811	2.4
462.19675	0.8
463.21109	1.8
464.21820	0.2
465.23050	0.2
473.23428	0.3
475.20651	1.7
476.21915	4.6
477.22818	4.4
478.23370	0.4
488.21896	0.3
489.23019	2.3
490.23691	0.7
491.25211	0.3
493.21906	0.3
501.21365	0.2
503.24710	1.2
504.24606	0.5
505.22614	0.6
507.24173	0.2
508.24634	0.3
517.21899	0.2
519.23810	0.5
520.24927	0.2
521.21222	1.1
522.26038	0.2
531.23877	0.5
533.25439	3.4
534.23743	0.3
535.27472	3.7
536.27374	0.2
545.25732	1.5
546.26257	0.2
548.24017	0.5
563.26453	18.2
564.26904	1.3
573.25427	0.3
575.23743	0.2
591.25928	1.1
593.27759	0.6
595.29120	0.9
605.27551	2.7
606.28284	0.4
623.28540	100.0
624.28821	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	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36740	0.3
51.42950	0.3
51.46814	0.3
53.09409	0.3
70.24940	1.6
98.21384	0.4
195.64661	0.3
223.12413	0.4
224.13242	0.4
239.15350	0.4
247.12320	0.3
290.19272	0.3
314.63333	0.3
375.16409	0.4
377.17636	0.9
378.18695	0.8
389.18387	0.7
390.18500	0.9
391.19116	2.4
392.19815	1.7
393.20593	1.5
399.16180	0.6
400.17026	0.3
401.17462	0.6
402.19400	0.5
403.19449	1.0
404.20526	1.1
405.17087	0.3
405.20837	3.0
406.21515	3.0
407.17230	0.6
407.22263	8.4
413.18073	0.6
414.18488	0.8
415.19275	1.7
416.20233	0.5
417.21143	0.6
418.22049	0.5
419.17944	0.7
419.23184	1.5
420.23251	1.9
421.23798	9.0
422.24438	2.2
427.19354	1.0
428.19946	1.0
429.20847	4.0
430.21744	0.8
431.18582	1.0
432.19199	0.6
433.19791	1.0
433.24106	1.3
434.25162	0.7
435.25827	0.5
441.20917	0.5
442.21750	0.5
443.22629	2.8
444.23657	1.7
445.20294	1.7
446.20844	0.6
447.17651	0.9
452.22116	0.5
456.19400	0.6
457.23602	1.2
458.24982	1.9
459.22134	2.8
460.22510	1.3
461.18909	3.5
462.20166	1.9
463.21271	0.9
470.20975	0.7
471.22247	0.7
472.22675	2.2
473.19327	0.4
473.23792	0.8
474.20267	0.3
475.21170	5.8
476.21838	3.6
477.22662	2.5
478.23825	0.5
484.18817	0.8
485.23581	4.2
486.20358	1.3
486.24930	0.7
487.21466	1.1
488.21918	1.1
489.23047	2.6
490.18903	0.3
499.21167	4.8
500.22174	1.3
501.18488	0.3
502.23611	0.7
503.24542	6.8
504.21451	0.5
505.22247	1.0
507.23849	0.8
508.28397	0.6
513.23047	1.5
514.23749	0.6
515.24451	1.2
517.25476	2.1
521.25323	0.9
529.25800	0.6
531.24152	0.9
535.27051	5.6
541.22223	0.4
545.25421	24.0
546.26245	0.6
563.26501	0.9
564.27191	1.7
573.24915	7.1
577.28094	1.5
591.25891	2.4
605.27484	13.9
606.27515	0.4
623.28546	100.0
624.28986	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	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90086	0.1
55.05503	0.3
57.03418	0.2
67.05485	0.8
70.35966	0.6
78.30678	0.2
79.05469	0.5
81.07041	0.6
83.04983	0.3
83.08607	0.3
85.06580	0.2
85.71094	0.1
91.05461	0.4
93.07026	0.4
95.08600	0.3
105.07027	0.3
107.04963	0.4
107.08599	0.2
119.08569	0.3
126.80729	0.2
131.08493	0.3
133.10112	0.2
135.11783	0.2
145.10118	0.2
209.10780	0.2
247.12448	0.2
261.13934	0.3
271.16898	0.2
289.17892	0.5
361.14444	0.2
375.15878	0.3
376.16934	0.6
377.17709	0.3
378.19656	0.2
388.17682	0.2
389.17957	0.5
390.14188	0.2
390.18317	1.1
391.19305	1.4
392.19928	0.3
393.21161	0.2
401.17856	0.3
403.14969	0.3
403.19495	0.4
404.16010	0.4
404.20749	0.4
405.20831	3.6
406.18036	0.2
407.22357	0.3
414.18488	0.4
415.19296	1.0
416.19843	0.6
417.20810	0.7
418.18039	0.7
419.17758	1.7
419.22989	0.7
420.23611	1.2
421.19553	0.3
421.24121	0.6
427.19324	0.5
428.20023	0.4
429.11752	0.2
429.20822	2.7
430.21893	1.0
431.23367	0.8
432.15442	0.3
433.19849	4.1
433.25049	0.3
434.20822	0.4
435.21802	0.7
442.21271	0.2
443.22501	1.7
444.23831	1.4
445.19443	0.4
445.23929	0.8
446.17059	0.8
447.17816	8.1
448.22870	3.1
449.23578	2.4
452.22086	0.7
455.18661	0.3
457.19211	0.3
457.24481	0.5
458.25195	1.0
459.21228	3.0
460.22708	1.3
461.19272	8.2
462.20279	1.0
463.21130	1.3
465.22763	0.2
470.20892	0.5
471.22015	0.3
472.22760	1.3
473.23550	1.6
474.24106	0.6
475.20792	1.2
476.22012	20.9
477.22644	3.2
478.24158	0.3
479.20590	1.6
485.23434	2.3
486.24127	0.4
487.25232	1.8
488.21768	0.4
489.18185	1.1
491.24249	0.4
503.24652	1.4
504.25150	0.4
507.27560	0.3
508.24640	0.4
513.22888	0.3
515.24536	0.3
517.26068	1.5
518.22833	0.4
519.23779	1.9
521.21289	0.9
531.23889	3.3
532.24707	0.3
535.24640	0.2
545.25403	13.7
546.25580	0.9
547.26874	0.8
549.24982	0.3
563.26447	8.8
564.26691	0.5
573.25165	0.4
577.28223	0.5
591.26007	1.3
595.28577	0.4
605.27527	2.7
623.28528	100.0
624.28766	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00289	0.2
55.78683	0.2
57.07044	0.2
63.95396	0.2
67.05492	0.4
75.53344	0.2
81.07071	0.4
93.07017	0.3
95.08621	0.3
105.07027	0.3
107.08649	0.2
119.08572	0.2
140.26445	0.2
193.92609	0.2
207.96495	0.2
209.10728	0.2
223.12346	0.2
238.14676	0.2
249.14038	0.2
311.08871	0.2
323.06787	0.2
377.18027	0.3
387.15784	0.3
388.16968	0.2
389.17599	0.4
390.18463	0.2
391.19305	0.9
392.20035	0.3
400.17047	0.3
401.17633	0.7
402.18350	0.8
403.19324	1.4
404.20175	0.7
405.16333	0.4
405.21429	1.2
406.21500	0.5
407.22275	0.8
413.18311	0.3
414.18542	0.3
415.19272	0.8
416.20102	0.7
417.16791	0.9
417.21652	1.7
418.17291	0.3
418.22073	0.4
419.22723	2.6
420.22955	0.7
429.16141	0.4
429.21555	1.4
430.17737	0.9
430.22006	0.8
431.17593	2.0
431.22885	0.9
432.19421	1.0
432.24020	0.4
433.15192	0.3
433.20145	3.7
434.20972	0.6
435.22040	0.4
443.18613	1.2
443.23209	0.6
444.19492	1.2
444.24194	0.4
445.19678	4.9
446.21042	2.6
447.21921	3.7
448.22830	1.1
449.22995	0.6
457.19824	0.5
458.20706	3.9
459.21515	5.0
460.22641	3.6
461.24445	0.9
462.20493	0.6
463.21066	1.2
471.21802	0.6
472.22592	0.8
473.23557	1.5
475.20483	1.2
476.21835	0.9
477.23044	1.6
485.23727	1.1
486.24258	0.4
487.25250	1.2
489.22818	0.6
490.23755	0.3
491.24606	0.3
499.20728	0.2
503.24271	0.6
504.25079	0.7
505.21304	1.3
513.23236	0.3
516.21649	0.4
517.22424	0.7
517.26074	0.6
518.22894	3.6
519.23474	1.0
521.21375	1.0
530.23199	0.5
531.24121	1.0
532.24518	1.0
533.25458	6.1
534.26147	0.2
535.27563	1.4
545.25427	7.3
546.25787	1.1
549.24994	0.3
563.26428	7.4
564.26984	0.6
573.24915	0.7
577.27612	0.6
591.25604	0.4
605.27490	9.4
606.28461	0.4
623.28528	100.0
624.28766	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	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26164	0.2
55.01857	0.5
55.05504	0.9
62.64042	0.2
67.05488	1.5
69.03403	0.2
69.07052	0.7
70.84464	0.4
70.84798	0.2
79.05482	1.3
81.03384	0.5
81.07043	1.2
83.08598	0.5
85.06463	0.2
91.05456	1.0
93.07021	0.9
95.04939	0.4
95.08557	1.1
96.18470	0.2
97.06530	0.4
97.10161	0.8
105.07003	1.5
107.04939	0.3
107.08592	0.8
109.06500	0.2
109.10136	0.5
113.18005	0.2
117.07017	0.6
119.08534	1.0
121.10148	0.2
125.09608	0.5
129.06967	0.5
131.08559	0.7
133.06505	0.2
133.10123	0.6
135.11748	0.2
141.07007	0.3
143.08543	0.7
145.06451	0.2
145.10117	0.5
155.08546	0.4
157.10139	0.4
159.11711	0.6
161.13385	0.2
169.10109	0.3
171.11650	0.4
173.13235	0.3
179.72308	0.2
183.11653	0.4
185.13196	0.2
186.81511	0.2
189.11128	0.2
194.89595	0.2
197.13217	0.3
209.10736	0.2
223.12495	0.2
235.12312	0.3
257.18942	0.3
271.94073	0.2
275.20145	0.5
281.58588	0.2
291.19504	0.4
312.15009	0.2
325.15802	0.2
328.21130	0.3
375.16113	0.3
387.15955	0.2
388.16934	0.3
389.17810	0.9
390.18594	0.5
391.19220	0.8
401.17694	0.7
402.18311	0.9
403.14932	0.2
403.19235	1.7
404.19946	0.8
405.20810	1.5
415.19470	1.2
416.15378	0.3
416.20706	0.9
417.16962	1.8
417.20862	1.7
418.17599	0.5
418.21738	0.6
419.22467	4.0
420.22903	0.6
421.19778	0.2
428.15839	0.4
429.17087	0.8
429.21368	0.5
430.17682	0.8
430.21982	0.5
431.18503	2.8
431.22687	2.1
432.18900	1.8
433.19940	2.2
434.21631	0.2
435.21823	0.4
442.17389	0.4
443.18222	3.1
443.27594	0.2
444.19116	1.4
445.19958	7.7
446.20853	4.1
447.22083	4.9
448.22763	0.4
449.23547	1.8
450.24017	0.5
457.20050	1.2
458.20679	1.1
459.21832	3.4
460.22409	0.6
461.18903	1.2
462.20383	1.6
463.21033	2.1
465.22910	0.2
471.21722	0.3
473.23853	0.8
475.21078	1.5
476.21924	4.5
477.22821	6.0
478.23029	0.4
487.21173	0.2
489.22922	2.2
490.23602	0.4
491.20013	0.4
501.23050	0.4
503.25058	0.9
504.24738	0.5
505.22473	0.9
508.24637	0.5
518.23059	0.4
519.24542	0.2
521.21320	1.1
525.35773	1.1
530.23608	0.2
531.23798	0.5
532.24237	0.4
533.25397	13.7
534.26074	0.9
535.23993	0.6
535.26624	0.6
545.25562	0.9
548.24139	0.4
561.24939	0.4
563.26440	17.4
564.27032	1.3
565.28003	0.5
577.24408	0.2
590.25012	0.4
591.26111	0.5
592.26648	0.3
593.27417	4.0
594.25903	0.4
595.29144	0.5
605.27563	1.0
605.41675	0.5
623.28510	100.0
623.42792	3.2
624.28827	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	623.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75352	0.9
55.04136	1.0
55.05484	1.1
57.07062	2.4
67.05508	1.8
71.22928	2.2
73.24614	0.9
82.85992	1.2
97.40733	0.9
105.07015	1.1
148.62108	1.2
214.18663	0.9
288.64914	1.1
378.18973	1.2
391.19315	2.8
392.19891	2.1
405.20773	2.1
406.21539	4.2
407.22269	9.2
419.22464	2.6
420.23108	2.0
421.24014	5.4
433.20157	1.4
435.21628	10.3
438.20239	1.4
447.18066	2.9
449.23489	6.8
450.24124	1.1
461.19479	2.8
462.20554	3.7
463.21265	14.6
476.21509	2.0
477.22830	13.2
478.23401	3.6
503.24243	1.2
535.23334	3.1
547.26361	1.3
549.24872	4.1
550.25775	1.8
563.26270	5.9
564.27173	15.8
564.35590	2.0
591.26068	2.4
622.60986	1.8
623.28491	100.0
624.29242	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10479	0.7
67.84792	0.5
69.60210	3.6
69.60629	1.6
71.08574	0.5
72.95591	0.5
89.05924	1.5
95.08511	0.5
112.26204	0.5
133.08507	1.3
177.11131	0.9
187.99959	0.6
189.93172	0.6
210.11578	0.6
224.12965	0.6
376.16830	0.8
378.18298	1.4
388.18011	0.9
389.18176	0.9
390.18600	0.6
391.19113	2.8
392.19797	2.5
393.20496	1.6
399.16177	0.9
400.17047	1.3
401.17676	1.0
404.20663	1.3
405.20798	3.8
406.21259	2.9
407.22266	9.5
413.17706	1.2
414.18222	2.0
415.19019	4.3
416.20197	1.0
417.20956	0.6
418.21750	0.9
419.22250	1.8
420.22980	1.7
421.23746	9.4
422.24298	3.2
425.24332	0.8
427.19400	0.8
428.19931	2.4
429.20737	10.6
430.21524	2.5
431.22598	0.9
432.19101	1.2
433.24362	1.2
439.25928	0.7
442.21344	1.9
443.22379	7.2
444.23499	3.6
445.20013	1.7
447.17685	1.4
449.23129	1.0
452.21945	1.0
456.18976	1.3
457.19019	1.2
457.23856	2.8
458.24924	6.4
459.21701	7.2
460.22253	2.5
461.18854	4.1
462.20471	2.3
470.21054	1.1
471.21664	1.6
472.22614	4.6
473.23657	1.1
475.21069	5.8
476.21591	4.3
477.22318	2.9
478.23645	0.9
485.23514	13.9
486.19196	1.0
486.24213	2.6
487.21011	1.3
488.21924	1.5
489.22656	3.0
490.23853	0.9
499.21445	3.8
500.21802	2.6
502.23511	1.3
503.24506	6.0
504.21973	0.9
507.23502	1.1
508.28552	1.1
513.22864	3.1
514.23535	1.7
515.24103	1.4
517.26239	7.5
521.25122	0.9
529.25934	2.1
531.23645	1.0
535.26874	4.9
545.25397	75.1
546.25537	4.2
562.25244	0.8
563.26569	1.0
564.27136	1.3
573.24927	18.2
574.25165	1.3
591.26031	2.1
605.27484	83.7
606.27789	4.5
623.28534	100.0
624.28882	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	621.326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03935	10.4
55.01864	9.3
55.05499	22.7
57.03424	6.2
57.07053	2.4
59.04972	2.3
59.20649	1.0
65.03911	4.0
67.05489	39.3
69.03078	1.7
69.03403	15.0
69.07057	11.3
70.06570	2.9
70.78019	3.5
71.04977	8.3
73.02882	1.8
79.05476	39.2
79.89500	1.0
81.03400	69.5
81.07037	50.3
81.07530	1.5
83.01324	3.7
83.04962	21.6
83.08601	12.9
85.02879	11.6
85.06519	3.4
86.09679	1.5
88.07618	1.4
91.05453	29.9
93.07021	40.4
95.04945	14.8
95.08578	17.5
97.02876	12.6
97.06503	9.7
97.10152	5.2
99.04433	7.2
99.08112	1.2
102.75420	1.0
103.05457	2.2
105.03392	1.5
105.07011	21.0
107.04927	11.2
107.08566	21.0
107.09225	1.8
109.02856	15.0
109.05794	1.4
109.06480	7.8
109.10136	4.2
110.45243	1.0
111.04411	14.1
111.08048	3.1
115.05437	2.6
117.06989	14.2
119.04929	1.2
119.08556	13.2
121.06473	6.4
121.10111	12.5
123.04379	1.6
123.08047	6.8
123.11677	4.2
125.09605	3.3
127.03896	9.2
128.06213	1.2
129.05469	1.1
129.06981	4.1
130.07745	1.1
131.04906	1.9
131.08537	9.5
133.06479	2.9
133.10069	8.0
135.04500	1.9
135.08020	3.3
135.11659	14.0
137.06007	1.6
143.08578	2.3
145.06480	3.2
145.10095	12.2
147.08018	3.9
147.11665	7.7
149.02347	4.2
149.05968	2.6
149.09570	2.1
149.13202	8.4
151.07460	1.4
151.11276	1.4
153.01804	2.5
153.12703	6.1
155.08600	1.7
156.83269	0.9
157.06404	1.0
157.10118	2.7
159.08098	1.9
159.11662	7.0
161.05962	1.0
161.09702	1.1
161.13152	1.3
163.11156	19.5
165.12729	2.4
171.08073	1.4
171.11536	1.4
173.04518	4.8
173.05833	1.4
173.09593	3.2
173.13264	1.6
175.07602	1.0
177.12764	4.5
181.12213	4.2
183.06525	1.9
183.11636	1.1
184.07333	4.1
187.14880	1.0
189.11208	1.5
189.12810	1.2
191.10551	5.0
193.05025	3.2
193.12254	2.3
195.12016	1.4
195.13753	8.8
199.11148	1.3
200.20038	2.6
201.12788	1.3
209.11687	6.8
211.13326	1.7
213.14792	2.2
215.14140	1.1
219.13754	1.7
227.12740	10.4
233.11760	1.3
233.15445	1.2
256.26300	2.3
257.15292	1.2
257.51337	1.1
261.15039	1.2
265.14313	2.4
267.15918	3.7
269.17484	3.5
275.16641	1.6
283.15277	6.7
285.14783	1.4
303.15912	1.8
321.16940	4.9
332.08627	1.3
339.18033	11.4
353.16183	3.8
377.19113	1.7
385.23938	1.1
395.20734	8.2
409.18658	2.5
427.17361	1.5
431.18329	1.1
459.27597	4.7
477.28418	9.0
513.19391	1.2
523.34375	1.2
547.28961	2.4
585.30096	2.4
603.31366	4.6
621.32672	100.0
621.48700	4.0
622.32831	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	621.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
51.58902	0.2
53.03934	2.5
55.01866	3.0
55.05500	6.1
57.03426	2.1
57.07040	0.7
59.04961	0.9
61.02901	0.3
65.03927	8.6
66.69598	0.3
67.05492	13.1
68.03964	0.3
68.05795	0.3
68.99754	0.4
69.07053	3.6
70.06549	0.6
71.01318	0.5
71.04982	2.3
71.81284	0.4
74.07578	0.3
79.01849	0.4
79.05478	10.8
81.03403	22.0
81.07039	17.0
81.07528	0.7
82.07331	0.5
83.01326	1.5
83.04963	6.0
83.08614	4.3
85.02884	3.2
85.06504	1.3
86.29923	0.3
88.07584	0.5
91.04916	0.6
91.05463	9.5
93.03374	0.7
93.07027	11.9
94.07293	0.4
95.04401	0.3
95.04950	4.7
95.08589	5.6
97.02301	0.4
97.02871	4.6
97.06506	2.7
97.10118	1.0
99.04435	2.4
99.08077	0.5
102.09168	0.3
103.05442	0.9
105.03356	1.2
105.04460	0.3
105.07006	5.7
107.04936	3.1
107.08570	7.3
108.08893	0.4
109.02863	4.7
109.06485	2.1
109.10132	2.5
111.04430	3.7
111.08047	1.6
112.77438	0.3
115.05412	0.4
117.07000	4.0
119.04916	0.6
119.08583	3.2
121.02839	3.3
121.06470	1.4
121.10102	3.8
123.04398	0.8
123.08030	2.1
123.11688	1.0
125.05981	0.5
125.09576	0.7
127.03886	3.5
129.06967	1.5
129.75276	0.3
131.04907	1.3
131.08524	3.0
133.02797	0.6
133.06458	0.6
133.10091	2.2
135.08061	1.4
135.11670	3.9
136.01492	0.9
137.05908	0.3
137.09608	0.6
139.03865	4.6
141.06940	0.5
143.08528	0.8
145.04900	0.4
145.06473	0.7
145.10100	3.0
147.04390	2.5
147.07993	0.9
147.11644	2.1
149.02316	100.0
149.03392	6.7
149.09547	0.7
149.13237	3.5
150.02663	3.6
153.05489	0.4
153.06854	0.4
153.12709	2.4
155.08546	0.8
157.10143	0.4
159.08043	0.6
159.11644	2.7
161.06006	0.3
161.09532	0.4
163.07637	0.3
163.11145	4.9
164.11700	0.3
165.12715	0.9
167.08510	0.4
169.10127	0.4
171.11517	0.3
173.04437	1.1
173.09518	0.7
173.13315	0.3
174.12186	0.3
174.70059	0.3
175.03876	3.6
175.07503	0.4
175.11073	0.4
176.69661	0.3
177.05463	2.3
177.12698	1.3
180.04094	0.5
181.12183	1.8
183.06482	0.6
183.11630	0.5
189.11111	0.4
191.07031	1.0
191.10658	1.4
193.04929	55.2
193.12184	0.7
194.05246	3.2
195.13736	2.6
199.11118	0.3
200.20061	0.6
209.11668	2.3
213.14839	1.2
219.06522	2.7
219.13744	0.3
225.05411	0.7
227.12732	3.8
229.14359	0.9
230.14696	0.4
233.15337	0.3
237.07541	10.8
237.12587	0.3
238.07971	0.5
256.26334	1.0
264.22849	0.3
265.14359	0.4
267.16013	0.9
269.04471	0.9
269.17520	1.5
270.17746	0.5
275.16345	0.5
283.15332	2.2
285.14563	0.4
297.03909	1.3
303.16071	0.4
311.15030	0.5
313.06931	1.5
321.16821	1.5
339.18030	3.5
341.06406	3.4
343.07922	1.0
353.15836	2.3
359.07651	1.2
385.09103	7.5
385.23624	0.4
386.09534	0.7
395.20605	2.8
409.18457	0.9
411.10880	0.7
423.27344	0.7
424.27518	2.1
429.11682	3.0
459.27423	1.1
477.28525	2.7
493.28229	0.6
533.10370	0.8
547.28949	0.9
577.13300	14.0
578.13605	1.9
585.30731	0.4
603.31757	1.1
621.16046	54.2
621.32361	29.7
621.47144	2.0
622.16376	8.9
622.32672	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01865	6.8
55.05502	19.0
56.34853	0.5
57.03430	8.3
57.07070	0.6
60.57994	0.5
65.03429	0.8
65.03928	2.5
67.05495	30.6
69.03414	14.3
69.07057	8.1
69.71126	4.6
71.01336	0.9
71.04985	6.2
73.01304	0.5
73.02899	0.7
77.03918	0.8
79.05482	28.6
79.62688	0.5
81.03407	100.0
81.07045	31.1
83.01312	0.5
83.04967	13.8
83.08606	21.2
85.02895	20.8
85.06536	1.7
87.04437	0.5
91.05470	34.6
92.05809	0.7
93.07034	22.7
93.44296	0.5
95.01311	0.8
95.04955	34.8
95.08591	10.8
97.02877	13.6
97.06515	5.9
97.10167	8.4
99.04449	4.1
99.08080	2.3
103.03939	1.1
103.05451	1.6
103.60278	0.5
105.03379	0.7
105.04539	0.7
105.07021	27.5
107.04948	12.2
107.07819	0.3
107.08572	13.7
109.02867	21.8
109.06503	6.9
109.10141	4.4
111.04433	8.6
111.08073	8.8
113.05994	1.4
115.05437	2.9
116.06220	0.5
117.07012	7.6
119.04884	2.6
119.07713	1.0
119.08565	17.9
121.02853	1.1
121.06487	7.2
121.10130	11.1
123.04413	5.3
123.08052	3.8
123.11697	2.4
125.02334	3.2
125.06003	1.6
125.09621	6.2
127.03906	7.8
127.07533	0.8
128.06224	1.9
129.05524	1.2
129.06990	15.4
131.04951	4.6
131.08551	12.9
133.06491	5.8
133.10120	9.5
135.04417	1.7
135.08061	3.4
135.11647	3.4
137.05963	1.9
137.09575	2.6
141.06998	2.0
141.09106	0.5
142.07748	2.8
143.08533	3.3
145.06459	6.3
145.10101	5.8
147.04381	3.8
147.08040	6.6
147.11662	16.5
149.05988	2.8
149.09586	6.2
149.13300	0.8
151.03894	0.9
151.11162	1.4
153.07013	0.7
153.09109	1.7
153.12733	1.2
155.08556	2.4
157.06482	2.6
157.10112	12.2
159.04433	1.3
159.08054	2.2
159.11682	2.0
161.05971	4.1
161.09610	1.8
161.13278	0.9
163.03885	1.2
163.07513	0.9
163.11174	6.1
165.05447	1.2
165.12737	3.7
167.08563	2.1
169.06477	1.2
169.10120	2.5
171.08002	2.9
171.11612	2.5
171.84811	0.5
173.04472	6.2
173.05978	1.9
173.09599	2.7
175.03835	0.5
175.07607	1.5
175.11151	11.9
177.05490	1.0
177.12845	1.4
179.08461	0.6
179.14378	0.7
181.06522	0.8
181.10123	1.3
181.12228	2.0
183.08028	1.2
183.11731	1.1
183.13844	0.6
185.06010	1.0
185.09563	1.3
185.13281	1.5
187.07498	1.2
187.11186	1.0
189.05478	2.8
189.09196	1.0
189.11200	2.9
189.12830	1.4
191.07053	0.8
191.10616	2.7
193.12221	34.8
194.12540	0.8
195.11732	0.7
197.05832	0.6
199.07545	0.8
199.11183	1.7
201.05260	0.6
201.09209	0.7
201.12740	0.8
203.10805	0.5
203.14360	0.6
205.12265	1.3
207.13667	1.1
209.11526	0.8
209.13324	1.2
211.13255	41.4
212.13655	1.2
213.12761	1.1
217.12111	1.2
219.13773	0.6
221.09633	0.6
223.11197	0.7
223.13283	1.5
225.12592	0.6
227.07199	0.6
227.12589	5.0
227.14691	0.9
229.14374	1.5
231.13744	1.7
233.15431	0.9
235.13280	2.6
237.12839	1.2
241.12250	0.8
243.13811	0.9
245.15396	1.1
247.13347	1.2
249.14810	3.4
255.13850	2.7
257.15366	1.2
259.13214	2.5
261.14972	0.7
265.14578	0.7
267.15878	14.0
271.13397	0.8
273.14844	10.8
275.16443	0.8
277.14474	1.6
283.13217	2.0
283.15781	0.9
285.14307	0.9
285.17014	9.4
287.16739	0.7
289.14429	2.0
291.15958	1.5
301.14258	11.1
301.17368	0.8
303.15909	1.6
309.17130	0.9
313.16400	1.1
319.15417	5.9
337.16547	5.3
341.17563	0.8
347.18600	0.7
351.17856	0.7
355.17477	1.9
357.16736	0.7
363.18195	0.7
367.22784	2.1
369.19107	0.8
375.17957	5.5
385.23764	2.9
393.18997	7.1
403.24747	1.7
411.20084	2.0
421.25986	1.2
441.26389	0.7
459.27451	7.6
465.26270	0.7
477.28601	6.1
482.18701	0.6
483.27487	0.8
489.28406	0.6
493.26184	1.7
495.29428	7.5
501.28381	1.6
511.27084	1.2
513.28473	0.8
519.29291	0.7
529.27765	1.0
539.29956	1.2
543.29364	1.6
547.28625	0.9
555.29749	0.6
557.30865	1.5
561.30231	1.1
567.29535	2.0
573.31018	2.9
585.30475	11.3
603.31537	13.0
604.32202	0.8
621.32611	69.8
622.32721	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	621.2696
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05502	0.7
57.03410	0.6
57.07068	1.1
67.05478	1.2
69.62395	0.4
69.99172	2.7
70.58855	0.4
71.08624	0.8
79.05496	0.9
81.07043	1.4
83.08593	0.5
85.10180	0.6
91.05460	0.8
93.07041	0.6
95.04959	0.6
95.08585	1.0
98.98467	1.0
105.07004	1.5
107.08599	0.5
109.10157	0.9
119.08570	0.8
121.10178	0.4
131.48801	0.4
155.01054	0.6
183.00536	0.4
211.13321	2.2
218.06367	0.5
309.11243	0.5
313.27643	0.5
327.23013	0.4
366.14484	0.6
374.15308	0.6
375.16272	0.8
380.25732	0.6
383.14621	0.7
386.15942	0.4
388.16730	0.8
389.17584	2.0
390.18484	0.8
391.19376	0.6
401.17621	0.8
402.18430	0.7
403.19379	3.4
404.20123	1.8
405.20856	1.3
413.18243	0.5
415.19351	0.9
416.15616	0.8
416.20410	0.9
417.16699	1.3
417.21768	2.0
418.21619	1.2
419.22321	4.4
429.21454	0.7
430.17383	0.8
431.18057	3.4
431.23663	0.7
432.19153	0.9
433.19843	0.8
445.20563	3.9
446.20972	3.0
447.21841	6.9
459.18143	2.8
460.18137	0.8
461.19336	2.1
473.19867	1.9
474.20438	7.1
475.21237	11.9
487.21286	3.3
488.21997	1.3
490.23734	0.6
501.22711	2.6
505.25757	1.6
517.22003	0.5
519.20886	1.1
523.39630	1.5
529.22601	0.7
533.25568	7.3
561.24890	33.4
562.25378	1.6
589.24469	1.4
605.48053	0.5
621.26990	100.0
622.27368	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	621.2694
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
71.60983	0.5
90.81845	0.2
96.11555	0.2
104.70192	0.2
125.13835	0.2
142.94728	0.2
207.39163	0.2
209.10811	0.3
286.13428	0.2
374.15228	0.3
375.16098	0.7
376.18259	0.2
386.16214	0.3
387.16461	0.6
388.16809	0.8
389.17557	2.0
390.18475	0.9
391.19565	0.4
400.17389	0.2
401.17883	0.4
402.14212	0.4
402.18506	0.8
403.19437	2.6
404.20068	1.3
405.20618	1.6
413.17596	0.3
415.19339	0.6
416.16470	0.9
417.17014	2.2
417.20917	2.1
418.17154	0.6
418.21774	0.7
419.22357	4.9
420.22894	0.4
430.17050	0.9
431.18100	4.8
432.19067	1.6
433.20023	1.8
440.15964	0.2
443.18854	0.6
444.19608	0.4
445.20007	4.4
446.20950	4.5
447.21735	6.9
448.22250	0.5
458.21188	0.4
459.21841	1.7
460.18243	0.4
460.23471	0.3
461.19745	0.8
473.19724	0.8
473.24515	0.4
474.20239	4.2
475.21213	5.2
476.21854	0.4
477.22983	0.5
487.21329	2.2
488.21774	0.6
491.20926	0.7
492.25208	0.2
501.22995	1.4
503.20264	0.3
505.27045	1.1
518.23285	0.4
519.19904	1.0
529.22168	0.6
533.25458	11.0
534.25281	0.4
546.22650	0.4
561.24921	16.0
562.24860	1.1
589.24042	0.6
593.27618	1.9
621.26990	100.0
622.27252	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	620.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.0
57.07049	0.6
71.08622	0.5
71.81752	0.8
79.05476	4.8
95.04935	1.3
103.05444	3.8
103.80688	0.5
105.02245	0.5
105.07008	100.0
106.07342	1.3
204.23643	0.5
226.12210	1.1
239.14464	0.4
268.13272	0.7
276.19482	2.1
366.24380	0.6
380.25769	60.0
381.26172	2.3
436.31924	0.9
476.38742	0.6
492.38348	2.2
493.38947	1.3
494.39810	10.6
618.52429	0.6
620.53876	82.4
621.26843	0.7
621.54047	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	621.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24686	0.2
57.50854	0.2
64.23041	0.2
71.04314	0.7
80.57592	0.2
94.66263	0.2
146.05743	0.2
170.25471	0.2
209.10655	0.4
221.10696	0.3
249.10210	0.2
322.12753	0.2
324.14880	0.2
351.13275	0.2
372.14841	0.2
373.14655	0.3
374.15186	0.4
375.16052	0.7
376.17245	0.3
386.16034	0.4
387.16058	0.9
388.16791	1.0
389.17590	2.7
390.18231	1.4
391.19092	0.3
396.16501	0.2
400.17325	0.4
401.17484	0.9
402.13983	0.4
402.18726	1.4
403.19354	4.6
404.19940	2.9
405.21066	1.1
414.18149	0.3
415.19064	0.9
416.15466	1.0
416.20712	0.4
417.16937	3.6
417.20914	2.5
418.17078	0.6
418.21518	1.0
419.22324	7.5
420.22891	0.7
429.16464	0.4
429.21344	0.3
430.17181	1.5
431.17975	6.6
431.23044	0.9
432.18933	2.4
433.19833	1.4
443.18616	0.7
444.19321	0.7
445.20029	6.2
446.20920	5.0
447.21735	10.9
448.22382	0.6
457.20236	0.3
459.17871	1.9
459.22385	1.3
460.17953	0.5
460.23322	0.5
461.19205	1.1
463.03696	0.2
471.18228	0.3
473.18115	1.2
473.23956	0.8
474.20346	10.0
475.21204	15.2
476.21716	0.9
477.22806	0.3
486.20154	0.3
487.21249	3.9
488.22235	1.4
489.22797	0.4
490.24173	0.3
491.19995	0.4
501.22867	2.2
502.23157	0.8
505.26453	1.8
506.22812	0.4
517.21967	0.3
518.23157	0.8
519.22681	0.4
523.40088	0.4
529.22260	0.7
533.25415	11.9
534.26263	1.0
546.22656	1.0
561.24884	72.4
562.25183	3.3
589.24329	1.6
593.27618	3.2
599.47705	0.2
621.26978	100.0
622.27234	4.7
622.36517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.1
56.05008	2.2
57.07066	9.3
67.05511	9.6
67.05812	2.6
69.03394	2.5
69.07037	5.2
70.06583	3.8
71.08618	13.1
71.78854	2.2
74.02520	1.4
77.85062	1.4
79.05467	2.8
81.07045	13.7
82.06603	1.7
83.08601	2.5
84.04493	1.9
85.10188	7.5
86.06043	9.1
87.04456	17.2
95.08575	12.2
96.08118	6.1
97.10174	1.5
98.06046	17.0
105.06985	9.2
106.06544	1.5
109.10143	3.4
112.07584	8.1
122.06023	6.3
123.11601	1.7
124.07586	18.5
136.07588	1.6
144.98810	1.3
152.07042	4.1
154.72012	1.6
206.19092	9.2
208.09663	20.7
208.20573	2.2
250.21686	3.7
268.22693	19.4
276.23288	3.4
278.21069	1.8
284.22238	2.9
292.22729	12.9
294.24200	15.4
295.24680	1.7
296.22253	4.3
320.22232	1.6
321.22940	4.1
322.23563	1.9
355.03259	1.7
380.25583	1.8
404.35361	2.3
422.36224	47.5
423.36722	3.1
431.23596	1.5
446.36096	2.0
448.37799	51.8
449.37585	2.9
602.51300	1.8
610.62634	1.4
620.52448	100.0
621.26563	3.5
621.52789	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	619.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.0
53.03934	9.2
55.01865	13.0
55.05503	37.5
55.50117	1.1
57.03423	12.8
57.07082	1.1
59.04979	2.9
59.17137	0.9
65.03923	3.1
67.05125	1.8
67.05493	37.1
69.03418	15.1
69.07056	9.6
71.01333	1.8
71.04980	7.4
71.08624	0.8
71.79189	1.6
74.39061	0.9
77.03942	1.3
79.05482	43.0
80.95657	1.0
81.03407	89.7
81.07041	35.4
83.01328	5.0
83.04974	19.3
83.08608	23.0
85.02895	16.5
85.06550	1.4
87.20887	0.9
91.05467	36.8
93.07030	32.5
95.01308	2.0
95.04953	32.0
95.08590	15.0
97.02882	17.2
97.06528	5.9
97.10152	22.0
99.04450	4.8
99.08073	2.0
103.05450	2.3
105.03365	1.8
105.04494	1.4
105.07013	24.8
105.59612	1.0
107.04937	23.7
107.08575	21.8
108.05202	0.9
109.02863	25.4
109.06491	10.0
109.10145	6.8
111.04427	10.8
111.08047	5.8
113.06021	1.4
115.05458	3.8
116.06213	1.2
117.07011	13.5
119.04956	3.8
119.08566	18.3
120.08774	1.1
121.02870	3.2
121.06487	9.8
121.10131	10.1
123.04426	8.0
123.08041	7.7
123.11649	1.2
125.02327	17.3
125.05992	1.9
125.09619	17.3
127.03890	10.8
128.06224	3.7
129.05463	1.4
129.06985	11.3
131.04890	4.9
131.08543	12.9
133.06479	7.5
133.10135	7.6
135.04434	3.8
135.08023	5.7
135.11673	8.9
137.02419	1.6
137.05969	3.5
137.09616	3.0
141.06984	4.6
142.07802	2.0
143.08586	4.5
145.06451	9.5
145.10097	13.7
147.04388	6.4
147.08009	6.7
147.11694	8.4
149.05925	6.1
149.09641	4.1
151.03944	1.2
151.07524	1.2
151.11295	1.2
153.06929	1.4
153.09114	4.2
153.12732	3.8
154.07689	1.4
155.08554	4.3
157.05330	1.2
157.06523	4.2
157.10095	8.4
159.04424	1.9
159.08044	4.1
159.11682	2.4
161.05980	7.5
161.09624	3.5
161.71063	1.1
163.03838	1.5
163.07558	1.8
163.11163	18.7
165.05501	2.1
165.06956	1.3
165.12796	3.1
167.08508	2.2
169.06465	1.4
169.10162	2.2
171.04405	1.3
171.07951	4.5
171.11702	2.8
173.04471	4.3
173.05998	5.6
173.09599	5.3
175.03842	1.1
175.07509	1.9
175.11206	6.9
176.13052	1.0
177.09035	1.0
177.12729	1.7
181.10144	1.7
181.12241	4.9
183.08067	2.3
185.05951	2.0
185.09656	1.7
185.13216	1.8
187.03918	1.2
187.07542	3.0
187.11186	1.1
189.05496	3.7
189.09225	2.7
189.11212	10.3
189.12730	1.5
191.10649	7.8
193.12210	16.7
195.08093	2.0
195.11615	1.4
197.06003	1.2
197.09560	1.5
199.07526	1.7
199.11148	1.2
201.05464	1.6
201.09106	1.7
201.12651	1.4
203.07056	1.5
203.10663	1.4
203.14311	2.4
205.12225	3.6
209.09753	1.9
209.11740	6.1
211.11339	1.7
211.13243	14.5
213.12778	1.9
217.12410	1.3
219.13904	1.4
223.13278	2.2
227.12639	11.4
229.12206	1.1
231.13806	2.6
235.11053	1.3
235.13284	1.4
237.12939	1.2
243.13739	2.1
247.13322	1.9
249.14923	2.1
255.13828	1.7
259.13339	2.9
261.14886	1.9
267.15900	11.5
271.13272	3.3
273.14853	7.6
277.14282	1.6
281.11697	1.2
283.12665	1.0
283.15424	20.2
285.14563	1.6
287.05539	1.1
289.14301	4.8
291.16043	1.5
299.12622	2.5
301.14362	11.3
307.15491	1.6
311.16299	2.7
317.13953	2.1
319.15308	11.9
323.03882	1.2
335.15134	1.3
337.16507	2.0
339.15878	3.1
345.16937	1.6
347.18698	1.6
353.15921	2.0
357.16714	2.2
365.21237	1.3
375.17911	4.8
383.22067	8.3
391.17337	3.2
393.19000	5.0
401.22955	5.5
409.18558	1.5
419.24451	3.0
447.27505	1.5
449.22858	1.3
457.25800	5.4
475.26788	15.3
481.25629	1.8
491.24820	1.9
493.27771	10.6
499.26648	2.6
509.25250	2.6
511.26633	1.3
527.26251	3.5
541.27972	2.1
545.27551	2.8
553.27771	2.0
555.29352	1.7
559.28009	1.1
565.28021	3.3
571.29083	3.0
583.28986	10.6
601.29913	21.8
619.31055	100.0
620.31158	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	618.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02337	1.9
53.03935	6.6
55.01860	6.0
55.05498	47.9
57.07061	9.0
59.04977	4.7
65.03923	5.7
67.05494	30.5
69.03414	11.2
69.07056	24.1
70.99837	2.3
71.00194	5.3
71.04980	7.7
77.03886	2.8
79.05474	39.3
80.06281	3.4
81.03404	2.1
81.07037	59.7
83.04959	22.1
83.08603	68.0
85.02885	3.7
85.06546	9.9
87.04443	4.8
91.05460	57.6
93.07022	70.0
95.04946	38.8
95.08588	35.6
97.06513	24.4
99.04440	7.7
103.05463	5.2
104.10745	2.9
105.07009	100.0
107.04929	6.8
107.08569	83.5
109.06498	19.6
109.10133	38.3
111.08066	6.7
113.05980	3.0
113.09639	11.7
115.05431	9.1
116.06201	2.1
117.06992	26.0
119.04946	2.9
119.08560	94.5
120.09388	4.2
121.06461	12.5
121.10120	59.1
122.07274	2.7
122.10539	2.1
123.08035	24.2
123.11704	8.3
125.09595	25.5
125.67736	1.9
128.06198	16.8
129.06982	21.6
130.07756	10.3
131.08539	53.1
132.09325	5.7
133.06502	3.8
133.10098	55.8
134.10834	2.2
135.08041	15.2
135.11673	14.5
137.09613	7.1
139.11151	19.9
141.06931	11.8
142.07751	32.6
143.08534	52.3
144.09311	17.4
145.06464	8.8
145.08945	4.5
145.10095	79.8
146.07285	2.8
146.10841	3.7
147.08038	15.1
147.11642	26.4
149.09630	15.7
149.13260	5.8
151.07492	3.0
151.11163	3.8
153.06978	5.1
153.09062	2.1
154.07739	5.6
155.08563	22.5
155.10605	17.7
156.09322	24.7
157.10095	64.7
158.07164	2.6
158.10902	9.6
159.08049	20.1
159.11682	41.5
160.08781	13.4
160.12268	3.0
161.09607	20.8
161.13222	7.5
163.11168	7.9
165.06973	8.7
165.09087	2.4
165.12926	2.5
166.07805	3.6
167.08513	14.0
167.10619	22.9
167.14276	5.0
168.09314	8.6
168.11188	2.3
169.10088	37.4
169.12239	3.2
170.10861	11.4
171.08032	3.4
171.10165	5.8
171.11629	36.2
172.08755	2.5
172.12392	4.8
173.09569	10.9
173.13248	16.9
174.10429	2.6
175.11215	12.9
175.14803	5.6
177.12691	3.6
179.08534	14.8
179.10625	2.4
179.14276	6.7
180.09299	7.1
181.10118	21.3
181.12213	27.3
182.10890	14.1
183.08058	2.3
183.11647	29.7
183.13435	2.8
184.12422	8.6
185.09636	3.7
185.13199	26.3
186.10471	2.2
186.14000	4.2
187.11168	6.0
187.14784	9.9
188.98322	2.0
189.12715	7.0
190.13484	3.9
191.08440	3.0
191.14258	12.1
192.09349	5.7
193.10075	17.9
194.10875	10.4
195.11649	33.3
195.13606	3.4
196.12411	12.0
197.09546	4.7
197.13234	44.4
198.13954	5.0
199.11145	7.5
199.14748	14.6
200.15445	2.9
201.12762	5.6
201.16420	3.9
203.14206	10.0
205.10164	3.6
205.15881	3.3
206.10841	8.2
207.11668	22.5
207.13814	6.0
208.12448	9.8
208.14493	4.5
209.13237	23.6
209.15210	4.1
210.13873	5.5
211.11189	5.9
211.14783	19.6
212.15523	4.8
213.12766	8.5
213.16339	7.4
215.14290	22.7
217.10141	3.7
217.15880	3.6
218.16682	4.5
219.11693	9.6
219.13669	3.0
220.12418	6.0
221.13199	15.6
221.15358	25.2
222.13977	4.9
223.11259	3.3
223.14836	15.8
224.15433	3.0
225.12706	5.0
225.14818	16.5
225.16493	5.8
227.14284	8.2
227.17973	2.2
229.10136	2.1
229.15840	4.1
231.11702	6.2
231.17480	4.8
232.12589	2.6
233.13188	7.6
233.15288	50.4
234.13953	3.9
234.16043	4.5
235.14824	11.9
235.16849	2.3
236.15506	3.2
237.16443	14.7
239.14301	3.9
239.17818	3.7
241.15810	5.2
243.17430	2.4
244.12340	4.8
245.13202	6.0
246.13963	4.1
246.16158	4.9
247.14735	8.9
247.16931	7.3
248.15581	3.3
249.16296	13.5
250.17146	2.3
251.18027	6.3
253.15817	4.5
255.17409	43.8
255.19937	3.7
257.12988	2.5
257.19009	5.4
259.14740	6.1
260.15607	3.9
261.16150	9.7
262.17050	2.5
263.17889	9.7
265.19446	7.6
267.17383	5.4
268.18246	3.0
269.19073	7.6
270.19760	11.1
271.20447	3.0
273.16190	5.6
273.18521	7.1
274.16763	2.3
275.17770	4.8
277.19440	5.5
279.17371	4.4
281.19131	6.1
282.19675	5.5
283.20483	4.7
285.18637	3.7
286.19302	6.3
287.20047	5.6
289.19473	4.1
293.19049	3.1
295.20551	4.4
297.18390	2.6
298.19153	2.6
299.20096	5.5
303.21103	2.9
307.20285	3.4
311.20279	2.9
323.20303	2.7
323.23782	2.6
325.21851	2.4
331.24185	2.5
334.22836	5.1
335.23465	3.7
337.25238	7.5
340.24216	2.5
345.22437	2.6
347.23636	5.3
348.24243	2.2
349.25244	5.8
359.23706	3.1
360.24420	4.6
365.24728	11.1
367.26233	6.3
383.25931	15.4
399.26770	5.1
401.28235	2.3
414.29141	5.2
429.31537	3.1
457.30731	4.0
526.36877	2.7
582.40491	4.9
600.41669	7.6
618.42480	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	618.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
53.96833	1.2
55.01856	2.5
55.05501	20.2
57.07071	10.1
59.04971	2.4
64.70491	1.2
65.03916	1.6
67.05486	10.8
69.03416	7.3
69.07049	4.9
70.32735	1.1
71.04972	2.9
71.08629	1.4
75.35349	1.2
79.05468	14.8
80.67559	1.1
81.07043	21.4
83.04964	5.7
83.08149	2.1
83.08608	28.9
83.62785	1.2
84.04470	2.0
85.06522	5.2
85.77473	1.1
87.04462	23.1
89.20256	1.1
91.05466	20.0
93.06480	2.3
93.07024	27.2
94.07761	1.1
95.04948	16.8
95.08585	13.9
96.05728	1.9
97.06534	10.4
99.04432	2.2
103.05413	1.7
105.07013	40.8
107.04945	2.4
107.08572	23.9
108.24150	1.3
108.52850	1.1
109.06521	9.1
109.10137	10.0
111.08070	3.3
113.05952	1.4
113.09620	3.7
115.05382	1.6
116.06258	1.3
117.06999	10.2
119.04912	1.5
119.07702	2.3
119.08562	35.3
120.09384	1.4
121.06479	5.2
121.10147	16.3
123.08055	14.0
123.11658	1.3
125.05934	2.4
125.09612	4.1
128.06203	4.4
129.06976	10.0
130.07761	3.4
131.08549	22.2
132.09320	3.5
133.06442	2.1
133.10110	22.7
135.08044	11.2
135.11639	4.3
137.05963	1.7
137.09584	6.7
139.11147	4.5
141.06929	2.6
142.07735	10.4
143.08549	19.6
144.09326	6.0
145.06490	2.7
145.10098	33.0
147.08040	13.1
147.11670	6.0
149.09596	7.1
150.10222	1.8
151.07494	6.5
153.08975	1.6
155.08504	7.6
155.10616	3.2
156.09309	9.0
157.10123	27.1
158.10880	6.6
159.08060	6.4
159.11662	18.7
160.08801	7.1
160.12485	1.3
161.09570	7.6
161.13220	4.7
162.10272	1.4
163.11165	8.3
165.06989	2.0
165.09090	17.6
167.08511	3.9
168.09296	3.5
169.10100	11.5
170.10838	3.0
171.10272	2.4
171.11636	12.6
172.08852	1.7
172.12402	3.6
173.09569	5.3
173.13242	6.0
175.11145	12.5
175.14783	2.1
177.09166	2.1
177.12651	1.7
179.08525	2.7
179.10664	1.6
180.09297	2.1
180.11353	1.6
181.10074	4.8
181.12178	11.1
182.10898	4.7
183.11696	11.9
184.12474	1.7
185.09558	2.1
185.13226	9.2
186.13858	1.5
187.11160	4.4
187.14755	3.6
189.12686	4.9
190.13516	4.8
191.10759	1.4
191.14282	2.3
193.08569	2.0
193.10167	3.0
193.12207	5.2
194.10925	2.3
194.12990	1.3
195.11662	8.2
195.13528	1.4
196.12427	3.2
197.09526	1.5
197.13248	8.5
198.13889	1.5
199.11177	3.0
199.14809	2.4
201.12709	4.7
203.14253	9.8
206.10777	1.4
207.11690	4.7
207.13780	7.4
208.08894	1.7
208.12650	2.7
208.14575	7.1
208.17795	1.3
209.13338	9.4
209.15163	2.3
211.11165	2.7
211.14737	6.3
213.12708	4.3
213.16324	1.6
215.14218	1.8
219.13742	2.5
220.12221	1.4
221.13289	3.9
221.15311	43.0
223.11252	1.9
223.14774	4.4
224.15491	1.6
225.12689	2.4
225.14589	9.0
225.16696	2.1
227.17834	1.7
229.15993	1.9
231.13887	3.0
233.15329	6.9
234.16101	11.9
235.14697	3.3
236.15450	1.7
237.12675	4.2
237.16443	3.1
239.17967	1.7
247.14755	2.0
247.16878	8.4
249.16412	1.9
251.14200	1.9
253.15839	2.4
265.15933	1.9
265.19119	1.5
267.17419	2.0
269.19064	2.0
271.16846	4.1
272.17657	1.6
273.18442	3.5
274.18954	2.0
281.18930	2.0
283.16983	1.5
285.18546	1.6
286.19189	5.6
287.20016	32.0
290.08066	2.1
291.08630	5.3
292.09109	3.0
299.20032	8.3
300.20596	2.0
303.19400	2.2
306.11240	9.0
307.11496	11.7
310.19189	2.1
311.20084	2.5
312.20749	3.1
313.21500	3.5
318.11246	2.3
319.11392	2.4
319.20428	1.7
325.21713	8.2
326.22333	1.6
329.21106	3.0
337.21429	6.1
339.23178	4.0
352.23920	60.4
353.24567	3.5
365.24680	11.7
367.26166	3.9
391.26160	2.5
395.25620	5.1
409.28241	1.4
438.31113	2.8
446.30243	1.7
463.15045	5.4
464.15158	12.5
464.37018	1.5
472.31848	6.4
475.32269	1.5
520.36456	2.9
524.35193	1.7
525.35431	8.3
538.36493	100.0
539.36823	4.0
592.59235	1.4
600.41858	1.6
618.28589	4.9
618.42413	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	618.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01877	3.5
55.05500	23.3
57.03419	2.2
57.07063	10.0
59.04984	3.7
67.05488	16.8
67.42129	1.7
69.03426	9.2
69.07049	10.2
70.00009	1.9
70.37884	8.4
71.04981	4.2
76.88093	1.6
79.05480	22.7
80.06271	2.4
81.07043	31.8
83.04957	9.9
83.08602	38.9
84.08889	2.1
85.06530	7.2
87.04458	2.6
91.05463	25.8
93.07023	32.6
95.04957	21.8
95.08598	23.8
97.06517	13.7
98.21366	2.4
99.04420	1.8
105.06319	2.8
105.07014	51.2
107.04935	4.2
107.08575	40.9
108.09382	2.0
109.06491	13.5
109.10141	15.6
111.08048	4.9
113.09641	4.8
115.05394	3.5
117.07000	14.1
119.08557	55.3
121.06448	7.4
121.10113	25.9
122.24777	1.9
123.08054	20.1
123.11678	4.9
125.06009	3.6
125.09576	9.3
128.06224	3.8
129.07013	12.2
130.07771	5.3
131.08534	32.4
132.09402	2.3
133.06454	3.0
133.10097	28.1
135.08029	13.4
135.11665	7.7
137.05902	2.9
137.09586	8.3
139.11154	5.9
141.06956	4.6
142.07721	14.0
143.08560	29.9
144.09380	10.0
145.06474	2.9
145.10103	46.3
146.10732	2.3
147.08015	16.4
147.11699	11.1
148.08719	2.8
149.09633	12.3
151.07512	10.3
151.11134	3.6
154.07741	2.7
155.08565	10.1
155.10631	6.4
156.09320	10.0
157.10104	40.9
158.10834	6.4
159.08018	8.7
159.11678	25.8
160.08815	8.4
161.09584	10.8
161.13177	5.9
163.11130	12.6
165.06999	3.4
165.09100	22.7
167.08578	3.8
167.10645	7.2
168.09311	3.3
169.10078	15.5
170.10880	5.4
171.10184	3.2
171.11647	25.1
172.12390	5.5
173.09589	6.3
173.13210	11.7
175.11142	9.8
175.14902	2.2
178.09828	2.1
179.08479	4.7
179.14224	3.3
181.10188	9.1
181.12183	15.9
182.10866	6.5
183.11670	15.7
185.13214	11.8
187.11168	6.6
187.14848	6.2
189.12750	8.2
190.13554	7.9
191.14290	6.6
192.43256	2.0
193.10094	5.1
193.12158	4.4
194.10870	4.1
195.11668	13.3
195.13611	2.9
196.12421	6.5
197.09616	3.5
197.13242	19.3
198.13669	2.4
199.11215	7.0
199.14836	4.7
201.12730	5.5
203.14264	14.0
206.10759	2.7
207.11574	5.9
207.13766	9.1
208.12489	4.9
208.14595	9.9
209.13208	12.9
209.15224	4.6
210.13953	2.2
211.11177	3.5
211.14818	8.0
213.12750	5.9
213.16434	3.7
215.14331	5.8
216.14725	2.0
217.15962	2.6
219.11707	4.0
219.13728	4.0
220.12247	2.7
221.13213	5.3
221.15306	64.2
222.13826	2.7
222.15785	4.0
223.14819	6.1
224.15604	4.0
225.12810	3.3
225.14819	14.1
227.14255	3.4
231.13763	4.4
233.13239	4.0
233.15323	17.2
234.16066	16.3
235.14799	4.4
235.16945	3.2
237.12680	2.7
237.16391	2.8
239.17943	2.8
241.15744	3.3
243.13943	2.0
246.16168	2.2
247.16917	7.7
253.15852	2.6
255.17451	7.4
261.16370	3.4
267.17398	3.0
269.18887	2.3
271.16910	2.7
271.20428	2.0
273.18442	5.8
279.17508	2.8
286.19339	6.6
287.20038	32.1
293.18811	2.2
297.18381	2.4
299.20206	9.6
300.20648	2.2
303.19592	4.0
310.19366	2.2
311.19958	2.7
312.20813	4.7
313.21436	3.6
314.22256	1.9
325.21588	11.8
329.21243	5.3
337.21671	4.9
339.23068	3.8
352.23877	64.5
365.24588	15.5
367.26328	3.3
383.25705	3.1
395.25681	5.9
414.28928	2.0
425.57401	2.3
438.31122	2.4
446.30209	2.0
472.31540	4.7
480.32651	2.3
525.35492	10.2
526.35840	3.0
538.36487	100.0
539.36920	3.0
582.40179	3.8
600.41180	7.2
618.42523	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00955	1.4
53.03918	2.8
55.01854	1.8
55.05502	17.3
57.03417	1.9
57.07061	11.8
59.04984	3.6
65.03892	1.6
67.05487	14.8
69.03414	5.5
69.07060	7.5
70.06591	1.7
71.04974	3.2
71.82029	1.9
76.38227	1.9
77.03915	2.0
79.05479	12.7
80.06255	1.3
81.07044	23.9
81.65944	1.3
83.04956	6.8
83.08604	26.0
85.06515	5.9
87.04449	43.1
91.05468	22.9
93.07027	26.9
95.04954	14.9
95.08586	21.1
97.06503	7.8
99.04462	2.6
103.85003	1.5
105.07010	39.3
106.07299	2.0
107.08569	26.0
109.06480	8.3
109.10124	8.2
111.08025	2.3
113.09605	2.2
115.05351	1.7
117.06976	6.8
119.08566	39.3
121.06456	7.7
121.10133	18.6
123.08041	14.6
123.11736	1.8
125.05981	3.9
125.09615	5.5
128.06219	4.7
129.06950	8.8
130.07777	4.0
131.08545	21.8
133.06525	2.1
133.10088	18.9
135.08028	10.1
135.11694	7.2
137.09621	6.2
139.07518	2.6
139.11205	2.4
140.28284	1.4
141.06967	3.6
142.07753	8.4
143.08525	16.2
144.09312	6.1
145.06479	2.4
145.10100	34.5
145.11192	2.4
146.10690	1.6
147.08009	16.7
147.11662	10.0
149.09608	6.4
151.07576	8.3
155.08548	6.4
155.10612	3.3
156.09323	6.2
157.10107	31.2
158.10837	4.6
159.08041	4.3
159.11659	19.8
160.08836	8.1
161.09605	5.4
161.13280	3.5
162.87981	1.6
163.09955	1.5
163.11111	9.1
165.06972	2.2
165.09114	21.5
167.08621	5.2
167.10609	2.7
168.09274	1.9
169.10114	11.9
170.10805	3.8
171.07819	1.7
171.10258	3.1
171.11641	17.3
172.12381	3.9
173.09560	4.6
173.13217	8.3
175.11128	8.4
175.14775	2.2
177.09126	2.8
179.14276	1.9
180.09256	2.2
181.10072	6.4
181.12177	13.7
182.10823	4.3
182.12520	1.4
183.11668	10.8
183.13142	1.3
184.12372	2.6
185.09534	2.7
185.13142	7.6
187.11192	5.0
187.14812	2.6
189.12740	5.1
190.13556	5.2
191.10593	3.8
191.14307	4.4
193.10191	3.8
193.12219	5.0
194.10779	3.4
195.11620	6.7
196.12325	3.0
197.13254	9.1
199.11198	4.1
199.14839	2.8
201.12646	3.2
203.14293	10.2
205.10063	2.1
206.10944	2.1
207.11740	3.9
207.13794	7.8
208.12714	1.8
208.14571	7.1
209.13231	11.6
209.15083	2.8
210.13959	2.2
211.11171	1.9
211.14790	4.7
213.12787	3.9
219.13974	2.0
221.13290	3.3
221.15302	47.1
221.17462	2.7
222.13901	2.8
222.15878	1.9
223.14807	4.4
225.12793	3.1
225.14632	9.6
227.14162	1.9
227.17903	2.5
231.13823	3.2
233.13162	2.6
233.15288	5.6
234.16084	10.8
237.12700	3.5
237.16307	3.7
238.16994	1.7
241.16029	2.1
243.14001	1.9
247.14696	2.2
247.16914	8.0
249.16307	3.6
251.17830	2.2
253.15863	2.2
259.16904	2.0
269.19107	2.6
271.16888	3.5
273.18625	2.2
274.19345	2.4
278.24692	1.9
281.18802	2.3
285.18610	2.2
286.19147	5.4
287.20020	36.5
299.20068	8.3
300.20645	2.9
312.20798	4.0
313.21359	2.9
319.20743	2.0
325.21552	8.6
329.20984	2.7
337.21695	5.2
339.23282	3.2
352.23911	63.1
353.24429	3.6
365.24716	13.5
367.26233	3.8
391.25967	1.9
392.27350	1.7
395.25620	4.4
428.29276	1.6
438.31146	2.7
446.30203	1.7
472.31720	6.3
525.35352	7.8
538.36462	100.0
539.36713	5.2
600.41473	3.1
618.42426	26.2
619.40814	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.3
55.39336	0.5
56.04992	1.4
57.07067	3.0
61.21978	0.5
67.05497	2.7
68.05009	2.9
69.07022	0.8
71.08576	2.2
75.33093	0.6
79.05438	1.9
81.07040	3.8
83.04942	0.9
84.04491	11.0
85.02861	2.0
85.10139	1.3
91.05445	1.0
93.06982	1.9
95.04918	0.8
95.08564	3.4
96.04434	1.3
97.02847	0.7
97.06443	0.7
102.05519	4.0
105.07024	3.9
107.08517	1.7
109.06459	0.6
109.10087	1.4
112.03949	0.9
114.05455	1.9
119.08515	1.7
121.10078	2.1
123.08029	1.1
130.04897	1.4
131.08521	1.0
133.10043	1.2
135.08026	0.6
140.03351	0.6
143.08485	1.0
145.10110	1.1
147.11601	0.6
151.07489	0.7
157.10051	1.4
163.11226	0.7
167.10675	0.7
170.86604	0.8
171.11673	0.7
181.12198	1.0
189.12675	0.6
195.11603	0.7
209.08238	0.7
221.15312	1.2
233.08208	0.5
234.09000	1.7
237.07892	0.6
246.08981	1.0
247.09808	1.0
248.06952	2.5
249.05435	2.6
249.07645	0.7
261.07782	1.4
261.36740	0.6
262.08603	9.6
263.09308	2.6
264.06757	0.6
272.06918	1.2
273.07861	1.4
273.10739	0.5
274.08615	6.8
275.09335	1.3
276.06561	1.5
277.07224	2.2
278.11621	1.2
286.08334	0.8
289.07233	1.4
290.08038	18.9
291.08832	29.0
292.09451	1.7
301.07187	0.6
302.08060	9.4
303.08801	5.4
306.11200	85.6
307.11325	2.6
316.09625	0.8
317.09393	2.1
318.11194	19.1
330.11136	1.4
333.12085	1.2
334.10553	4.0
385.11887	0.8
396.47827	0.7
401.14890	0.8
417.14301	1.2
419.16092	1.2
445.13892	6.9
460.24835	4.7
463.14938	100.0
464.15228	5.1
470.23270	1.7
522.59497	0.6
555.27875	0.7
572.77063	0.7
616.50665	0.8
617.28540	25.1
617.40918	2.0
617.50751	0.9
618.29089	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.05501	15.3
57.03420	4.8
57.07059	4.3
67.05492	38.1
69.07053	18.2
71.08613	2.1
74.09686	1.0
79.05484	19.7
81.07043	39.3
83.04972	1.6
83.08602	8.4
85.06540	2.0
89.06027	2.5
91.05468	14.6
93.07029	27.6
95.04937	2.1
95.08595	36.3
95.09192	2.2
97.06520	2.9
97.10156	4.3
99.08067	2.4
99.13226	1.1
103.21427	1.1
105.07019	16.0
105.37506	1.0
107.08575	18.3
109.06516	1.7
109.10154	15.5
111.08056	1.7
111.11708	2.5
117.07009	5.0
119.08567	16.2
121.10133	12.9
123.11691	7.9
129.07016	2.1
131.08546	9.2
133.08563	1.4
133.10106	13.9
135.11684	9.6
137.13220	2.2
143.08536	2.3
145.10103	9.7
147.11674	9.8
149.13222	7.6
151.14821	1.8
157.10158	2.0
159.11621	7.0
161.13271	5.9
163.11203	1.2
163.14793	2.3
171.11743	2.4
173.13203	5.0
175.14783	4.2
177.16336	1.6
185.13200	1.9
187.14801	3.5
189.16406	2.5
201.16447	2.1
203.17967	1.5
215.17976	1.4
220.01886	1.0
233.22421	1.2
241.19565	1.9
243.21106	1.8
245.22585	1.0
258.28058	1.1
259.20563	4.3
261.22067	6.2
263.23663	1.4
289.24991	1.0
324.43323	1.2
333.24222	2.1
335.25732	6.4
337.27301	10.3
339.28937	2.5
351.36295	1.0
416.25607	1.3
523.44910	3.5
541.45819	1.7
597.48706	10.2
615.49701	100.0
616.50122	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	615.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
53.41910	0.5
55.01839	1.1
55.05500	15.7
57.03424	4.7
57.07066	4.8
65.03921	1.6
67.05492	38.3
68.05826	0.5
69.07056	20.5
70.71474	0.4
71.04964	1.5
71.08610	2.3
71.38361	0.5
71.38685	0.9
79.05476	22.9
81.07040	44.6
82.07384	0.5
83.04976	1.3
83.08601	12.5
85.06521	1.9
85.07627	0.8
85.10175	1.3
89.06014	0.6
91.05466	14.6
92.10086	0.4
93.07027	26.0
95.04951	2.3
95.08590	41.3
96.08861	0.6
97.06509	2.4
97.10150	6.9
99.08064	1.4
105.07009	17.5
105.07697	1.0
107.08576	19.0
109.06509	1.0
109.10139	17.2
111.08069	2.1
111.11711	1.5
113.09598	1.0
115.05379	0.5
117.06998	5.9
119.07713	0.8
119.08567	17.4
121.10122	17.8
122.10412	0.5
123.08047	0.8
123.11682	8.3
125.09618	1.2
129.06996	2.1
131.08534	9.3
133.10106	14.7
133.11111	0.7
133.41716	0.6
134.10283	0.5
135.11667	12.6
137.09547	1.1
137.13269	2.6
139.08714	0.5
139.11142	0.6
143.08536	2.3
145.10091	8.6
147.11664	8.8
149.13231	7.9
151.11194	0.6
151.14799	1.6
155.08566	1.4
157.10071	3.2
159.11676	7.3
159.69783	0.5
161.13237	7.0
163.14787	4.6
165.16362	0.9
169.10031	1.2
171.11620	2.9
173.13237	6.6
174.13716	0.5
175.14799	5.1
177.16371	1.2
179.14401	0.6
183.11694	0.8
185.13202	3.0
187.14787	3.1
189.16367	2.1
191.17938	1.3
197.13301	0.8
199.14807	1.9
201.16331	1.6
203.17976	1.6
205.15845	0.6
205.19569	1.4
211.14795	0.9
213.16397	1.0
215.17891	0.9
217.19455	1.2
219.21062	0.8
225.16426	0.8
227.16132	0.6
227.18056	0.5
229.19496	0.8
231.20970	1.1
233.22600	1.0
241.19537	1.8
243.21143	1.7
245.22676	1.6
247.20593	1.0
247.24191	0.7
254.42819	0.5
259.20535	3.9
261.22101	9.6
263.23746	1.4
271.20703	0.6
273.22064	1.0
275.23621	1.1
279.23175	1.0
287.23602	1.0
299.23764	0.6
301.25311	0.8
303.26886	0.6
315.26828	0.8
317.24725	1.9
323.26059	0.7
329.28455	0.8
331.26038	0.5
333.24225	2.1
335.25778	9.2
335.29636	0.7
337.27322	11.0
338.27692	0.7
339.29050	3.5
343.29797	0.6
347.25690	0.9
351.25223	0.6
357.31735	1.0
361.28104	0.6
400.21765	0.6
402.72177	0.5
459.38599	0.6
491.37701	0.7
503.37732	0.9
505.38336	0.7
505.44629	0.8
517.38428	0.7
519.40179	0.6
523.45367	3.5
531.40704	1.5
533.42377	0.7
541.46356	2.3
545.42004	1.2
579.47913	0.7
597.48590	12.3
598.48523	0.8
615.49719	100.0
616.50012	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	615.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.0
52.74625	0.8
53.03938	2.6
55.01865	1.3
55.05495	7.5
57.07067	7.5
59.04985	10.0
65.03925	1.6
67.05488	16.0
69.03419	4.1
69.07049	6.9
69.38216	1.0
69.79158	6.5
71.04958	1.5
73.06548	2.6
77.03897	1.1
79.05051	1.8
79.05473	11.3
81.03403	1.6
81.06586	1.7
81.07042	18.2
83.04964	4.3
83.08601	4.6
84.35751	1.0
85.06527	13.0
89.06012	3.2
90.06329	1.0
91.05463	25.1
93.07025	34.5
94.38091	1.0
95.04945	8.1
95.08579	24.3
97.06502	3.1
97.10199	1.9
98.20609	1.3
99.08070	2.2
103.05453	2.1
105.07010	32.6
107.08568	23.8
109.06491	5.9
109.10151	12.9
111.08040	6.9
115.05448	2.0
117.07014	7.9
119.08558	48.1
120.09074	1.0
121.06464	5.9
121.10124	23.8
122.07300	1.6
123.08046	29.6
123.11700	2.9
125.05966	3.0
125.09612	8.4
125.22950	1.1
128.06218	2.9
129.06963	5.1
130.07777	2.3
131.08534	18.8
131.09435	1.7
133.06465	3.3
133.08578	1.3
133.10106	33.7
133.11121	1.6
135.08046	7.1
135.11653	11.5
135.12502	1.3
137.05966	1.6
137.09599	7.9
139.07498	2.4
139.11212	2.0
141.06938	1.9
142.07742	7.3
143.08551	13.0
144.09351	2.4
145.06480	1.2
145.10095	23.8
146.10956	1.3
147.04375	1.3
147.08015	10.6
147.11641	13.1
149.09564	7.9
149.13193	2.0
151.07518	28.4
151.11133	5.9
153.07060	1.2
153.09042	1.5
154.07736	2.0
155.08551	3.5
156.09302	5.0
157.10110	20.3
158.10898	4.3
159.07996	2.8
159.11661	15.1
161.09586	8.3
161.13261	4.6
163.11157	6.5
165.06998	1.3
165.09097	19.3
165.12756	1.8
167.08508	2.8
169.10104	6.1
170.10905	2.8
171.11653	10.7
172.08824	1.2
172.12347	1.4
173.09669	1.9
173.13228	14.4
175.11194	3.6
175.14787	10.8
177.12787	1.9
179.08586	2.8
179.10628	1.8
179.14346	1.8
180.09332	1.3
180.70807	1.2
181.10167	4.5
181.12193	6.8
182.10812	3.6
183.11646	8.0
185.09654	1.7
185.13214	7.1
186.10286	1.1
187.11218	2.9
187.14764	5.9
189.12724	9.7
191.10736	1.5
191.14267	4.3
193.10173	4.0
193.12169	2.2
194.10971	2.3
195.11693	7.9
196.12358	2.0
197.13194	9.2
199.11279	1.7
199.14857	3.8
201.12729	2.5
201.16383	3.0
203.14275	10.2
206.10927	1.6
207.11693	5.0
207.13812	12.3
208.12488	1.6
209.13271	7.9
209.15114	1.8
211.11339	1.9
211.13092	8.5
211.14870	3.3
213.12679	1.5
213.16393	1.8
215.14362	1.7
217.15831	2.2
219.11740	1.8
221.13324	4.9
221.15314	61.5
222.13824	1.6
222.15796	1.5
223.14766	3.6
223.16934	6.9
225.12715	1.8
225.16441	2.3
227.14394	2.3
229.15887	1.7
231.17444	2.2
233.13248	2.6
233.15373	1.7
235.14832	4.0
237.16402	2.3
239.18040	1.5
241.15871	1.2
241.19766	1.4
243.17413	1.2
245.13232	1.2
246.14017	1.4
247.14766	2.3
247.16934	3.1
249.16306	2.8
249.18597	1.6
251.16220	5.5
251.84418	1.1
255.17433	1.5
263.17926	2.6
265.19571	1.5
271.16986	1.2
275.17984	1.4
281.18781	1.1
283.20459	2.4
286.19284	1.8
287.20029	2.8
297.22144	2.5
299.20041	6.6
301.21796	1.8
309.22437	1.4
331.24316	1.1
375.26923	6.1
377.24515	1.6
385.27603	1.5
403.29800	2.4
407.29648	1.2
425.30481	1.9
439.31598	1.6
491.35178	8.5
509.34857	1.1
511.37454	1.1
525.67664	1.3
565.40057	4.8
583.41321	21.6
584.41449	1.3
597.42950	9.7
615.43964	100.0
616.44342	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	614.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01865	2.3
55.05501	20.0
57.03189	1.5
57.03428	17.8
57.07057	6.5
65.59354	1.2
65.70395	1.2
67.05493	53.9
69.03414	3.1
69.06682	1.6
69.07060	23.6
69.64802	11.7
71.04974	4.5
71.08629	2.1
75.04449	2.2
79.05481	25.5
81.03403	75.4
81.07040	57.5
81.07536	2.3
83.04958	4.2
83.08604	23.5
85.06518	2.9
89.06017	6.9
91.05457	26.1
91.30643	1.2
93.07027	25.1
95.04942	23.3
95.07983	2.5
95.08591	42.0
97.02834	1.7
97.06493	4.6
97.10144	9.2
98.20687	2.8
99.08099	2.0
104.92845	1.2
105.07006	21.8
107.04924	5.1
107.08571	12.9
109.06498	4.0
109.10136	13.5
111.04409	3.2
111.08086	7.1
111.11704	1.2
115.05411	1.9
117.06979	4.3
119.08561	19.9
121.06483	2.5
121.10136	14.6
123.08060	2.6
123.11676	4.9
125.09578	2.9
128.06195	1.5
129.07011	8.3
131.08543	10.2
133.06482	3.6
133.08574	5.6
133.10080	10.8
135.08052	2.0
135.11678	4.6
137.09569	2.6
137.13225	2.1
142.07759	2.4
143.08539	5.2
145.10095	7.5
147.08020	4.0
147.11647	10.8
149.09598	4.5
149.13187	2.1
157.10141	11.5
159.08081	1.8
159.11693	2.3
161.09666	1.7
161.13277	3.2
163.11188	3.9
163.14792	1.8
165.12695	1.6
169.26559	1.4
171.11740	2.0
172.15341	1.4
175.11121	7.5
175.14809	2.9
177.11153	3.1
181.10117	2.0
181.12175	2.3
185.13091	1.5
189.16386	1.6
193.12215	21.5
195.11632	1.7
195.95528	1.2
211.13177	1.7
213.12633	1.6
227.12709	3.0
245.22638	2.7
249.14806	2.8
263.23758	4.8
267.15866	100.0
275.20081	1.6
275.84683	1.3
289.21695	1.9
303.26895	2.3
337.27292	77.7
338.27505	2.3
352.23764	3.8
384.23026	1.8
415.25256	3.7
433.38272	1.5
437.33997	2.5
455.35187	4.2
473.36032	2.9
529.38837	59.5
530.39252	2.5
547.39844	30.8
561.41095	2.6
614.39380	3.7
614.48401	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	613.4816
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.66690	0.7
50.76429	0.7
53.03936	1.1
53.80669	0.6
55.01846	0.9
55.05503	6.8
55.67314	0.7
57.03427	2.6
57.07070	3.8
57.07300	0.6
59.05001	1.0
65.03929	1.2
67.05496	22.9
69.07057	10.7
70.15352	2.8
70.15762	1.2
71.04974	1.4
71.08639	1.1
73.06537	0.6
74.09708	1.2
79.05480	12.7
81.07042	24.8
83.04981	1.1
83.08607	5.6
85.06526	1.6
85.10173	0.8
89.06018	0.9
91.05430	10.5
92.05725	0.8
93.07028	15.8
95.04942	2.4
95.08591	21.7
95.09187	1.3
97.06509	1.8
97.10145	3.1
99.08064	0.7
105.07011	15.9
107.08574	12.1
109.06530	1.0
109.10133	9.9
111.08061	0.8
113.09666	0.7
117.07017	6.5
119.08556	14.7
121.10110	8.2
123.08093	1.0
123.11679	3.8
125.09631	1.0
128.06157	0.8
129.07004	4.3
131.08542	11.6
133.10117	9.1
135.08073	0.8
135.11667	5.8
137.05936	0.9
137.09575	0.6
137.13260	1.4
141.06950	1.1
143.08536	5.0
145.10110	12.1
147.11642	6.4
149.09607	1.0
149.13205	3.1
155.08577	2.6
157.10098	4.3
159.11679	8.9
161.13243	4.6
162.51062	0.7
163.11116	0.7
163.14815	1.4
169.10139	2.9
171.11671	4.9
173.13234	5.4
175.14810	3.1
177.16293	1.2
179.14305	0.9
181.10060	1.0
183.11682	2.4
185.13196	4.0
187.14766	3.9
189.16394	1.9
195.11700	1.2
197.13310	2.4
199.13191	0.7
199.14835	3.6
201.16399	3.1
203.17961	1.0
209.13295	0.7
211.14835	1.7
213.16469	1.8
215.18074	0.9
217.19385	0.7
223.14854	1.0
225.16396	0.8
225.57193	0.6
227.17931	0.9
231.21071	0.8
241.19635	1.2
243.21120	0.7
245.22803	0.7
246.19040	0.7
259.20602	2.4
261.22134	2.2
333.24292	1.1
334.96698	0.7
335.25806	2.5
337.27338	1.8
375.70117	0.8
501.35403	0.8
521.43469	6.1
529.39178	1.2
539.44550	2.8
543.40356	1.3
557.42963	0.7
577.46039	0.8
595.47070	7.2
611.75885	0.8
613.48206	100.0
614.48169	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4816
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.70977	0.6
53.03934	1.5
55.05261	1.1
55.05504	13.7
57.03434	5.3
57.07058	2.6
65.03928	2.7
67.05495	40.6
69.03384	0.6
69.07056	17.7
69.07413	1.1
70.08398	3.0
70.08810	1.1
71.04975	2.1
71.08605	1.0
72.28798	0.6
79.05013	1.0
79.05479	24.4
81.07042	50.7
83.04956	1.0
83.08607	9.6
84.06479	0.7
85.06541	1.8
91.05466	19.0
93.07025	30.8
94.07414	1.0
95.04974	1.8
95.08591	39.4
97.06521	1.7
97.10155	4.7
98.20701	0.7
99.08099	1.5
105.07011	22.2
107.08578	21.1
109.06486	1.2
109.10143	21.0
111.08070	1.5
111.11668	1.3
117.07007	9.1
119.07715	1.3
119.08562	19.6
120.05865	0.6
121.10124	18.3
121.10947	1.3
121.27681	0.6
123.08080	1.2
123.11688	9.0
125.09602	0.9
127.84394	0.6
129.06963	3.4
131.08543	17.1
133.10106	17.9
133.11108	1.0
135.11667	13.8
137.09650	0.9
137.13261	2.4
141.07071	1.0
142.07748	0.7
143.08534	6.0
145.10097	15.4
147.11667	14.1
149.09575	1.0
149.13245	7.0
151.14783	1.6
153.12700	1.0
155.08563	1.6
157.10123	5.2
159.11662	12.6
160.17966	0.8
161.13240	9.2
163.14784	3.9
165.16460	0.7
169.10101	2.4
171.11636	5.4
171.93150	0.6
173.13220	9.1
175.14789	4.8
176.15347	0.8
177.16373	1.5
179.14392	1.1
181.10062	1.4
183.11708	2.2
185.13297	3.8
187.14758	5.4
189.16331	3.4
195.11734	1.2
197.13249	2.0
199.14851	3.0
201.16299	3.5
203.18024	1.9
205.15892	1.0
205.19560	1.1
211.14931	1.2
213.16414	2.5
215.17938	1.7
217.19508	0.9
223.14758	1.0
225.16510	1.0
227.17993	1.1
229.19548	1.3
231.21025	1.6
235.20604	0.8
241.19572	2.7
243.21141	1.5
259.20563	6.4
261.22079	8.2
263.23752	1.3
273.22253	1.6
277.21722	1.1
285.22208	1.8
287.23749	1.3
299.23459	1.0
303.23306	0.8
311.23575	0.9
313.25281	1.0
317.24667	1.5
323.26352	0.9
325.25403	0.7
333.24213	5.4
335.25735	14.0
337.27350	7.4
341.28500	1.1
347.25690	1.4
349.27493	1.2
373.27136	0.8
375.20184	0.7
451.35031	0.8
489.36136	2.2
491.37067	0.8
503.37039	1.6
517.38989	1.1
521.43542	4.9
531.40570	1.1
539.44427	4.1
543.40424	2.5
546.31537	0.7
595.47101	11.3
613.48169	100.0
614.48578	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	613.4812
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.15309	0.7
53.03931	2.4
55.01870	1.1
55.05501	17.0
57.03426	6.0
57.07060	3.7
65.03918	2.3
67.05492	50.9
69.07056	17.0
71.04987	1.1
71.05909	1.6
71.06303	1.4
71.08637	1.0
72.74187	0.6
77.03897	1.3
79.05475	26.8
81.07040	52.6
83.04979	1.6
83.08606	10.0
85.06513	1.5
91.05463	23.1
91.06024	1.6
93.07024	32.6
95.04945	2.6
95.08586	46.1
97.06513	2.8
97.10133	4.1
99.08101	1.2
105.07008	24.4
107.08568	22.9
109.06511	1.4
109.10134	24.0
111.08045	1.8
115.05374	0.7
117.07007	10.6
119.08561	23.3
121.10121	19.8
123.08057	2.2
123.11675	8.8
125.09632	1.2
128.06178	1.2
129.06995	3.0
130.07727	0.9
131.07518	0.9
131.08530	17.8
133.10100	18.3
135.11664	13.9
137.09561	0.8
137.13228	3.0
139.11168	1.4
143.08531	5.8
144.09268	0.9
145.10092	16.7
147.11655	14.0
149.09595	1.2
149.13235	6.5
150.20010	0.7
151.11174	0.7
151.14816	1.1
155.08568	2.1
156.09270	0.9
157.10097	6.0
159.11661	13.0
161.13228	10.1
163.14767	3.3
167.08559	1.0
169.10104	1.7
171.11647	5.5
173.13219	12.1
175.14792	5.0
177.12625	0.8
177.16331	2.2
183.11707	2.0
185.13274	4.8
187.14781	5.9
189.16373	2.2
191.17920	1.4
197.13264	1.7
199.14798	4.2
201.16351	3.2
203.17906	2.0
209.13177	0.8
211.15015	1.1
213.16400	2.1
215.17998	1.2
217.19542	1.1
225.16406	1.5
227.18062	1.2
229.19411	1.1
233.18832	0.9
239.17879	1.3
241.19484	2.3
243.21097	2.0
245.19048	0.8
245.22604	1.0
247.20424	0.9
259.20572	7.3
261.19415	1.1
261.22095	9.2
273.22153	1.5
279.23062	0.9
299.23618	1.7
301.25308	1.4
310.94553	0.8
313.25266	1.3
315.23077	0.8
315.26660	1.2
317.24777	2.0
321.24396	1.0
333.24228	5.0
335.25696	14.2
337.27386	8.0
341.24301	0.9
355.29871	1.8
423.32071	0.7
475.34473	0.8
489.35812	1.6
491.37540	0.8
503.37073	1.3
517.38806	1.3
521.43555	4.6
531.40326	1.2
539.44556	1.9
543.40448	1.0
595.47144	11.9
613.48132	100.0
614.48389	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2649
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.05493	0.7
67.05492	2.2
69.07061	0.8
70.04456	0.8
70.04849	2.1
79.05493	1.8
79.77658	0.3
81.03403	0.8
81.07055	2.5
83.08633	0.5
91.05488	1.8
93.07045	1.9
95.04945	1.0
95.08588	1.4
101.59216	0.3
101.71776	0.3
105.06992	1.8
107.04960	0.7
107.08571	1.6
109.06513	1.6
109.10152	0.9
119.08572	1.2
121.06597	0.4
121.10143	1.4
125.57061	0.3
129.06972	0.7
131.08572	0.7
133.06534	0.4
133.10138	1.0
135.11674	0.6
139.11165	0.4
145.10081	0.9
146.67470	0.3
147.04384	0.8
147.11632	0.4
147.16827	0.4
148.04698	0.4
157.10100	0.8
163.11162	0.6
167.10646	0.5
171.11761	0.4
183.09198	0.4
191.14384	0.5
195.11679	0.6
200.74643	0.3
201.12724	0.4
227.02472	0.3
259.13092	0.8
261.13937	0.4
285.16959	0.4
293.21057	0.4
294.21411	0.9
306.11307	0.6
339.16104	0.6
352.17435	0.4
365.17834	0.4
366.14996	0.7
367.15363	0.9
367.19504	0.7
368.20163	0.4
379.15601	1.0
380.16287	1.0
381.17123	2.4
393.17062	0.9
394.17853	0.9
395.14566	0.7
395.18781	3.7
396.19482	3.6
397.20309	1.0
403.93359	0.4
409.15897	1.8
409.21152	0.5
410.21375	0.7
411.21994	1.5
423.17758	3.3
424.18747	3.0
425.19861	0.7
435.18274	0.6
437.15814	1.3
437.20102	1.3
438.20691	2.2
439.21417	5.1
449.19614	0.7
451.16821	3.9
452.18042	2.2
453.19217	1.2
455.20758	0.7
465.19254	1.5
466.19739	3.9
467.20450	2.5
479.20663	3.2
482.23260	0.7
483.23819	1.1
493.22446	1.8
495.20221	0.6
497.18222	0.5
497.25510	1.2
510.22308	1.7
511.23386	0.5
521.21796	0.9
525.24969	9.8
526.24744	0.4
535.23676	0.8
536.24280	0.5
538.21631	2.0
539.23334	0.9
553.24396	16.2
554.24640	0.9
578.37225	0.6
581.23505	0.8
581.38300	0.4
585.26294	0.5
598.24280	0.6
613.26514	100.0
614.26849	6.4
627.96857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.2
57.03422	0.4
57.07066	4.3
67.05490	2.6
69.07053	2.6
70.99850	0.9
71.04980	0.3
71.08617	4.9
73.02891	0.3
73.58621	0.2
74.70802	0.2
77.80620	0.2
79.05473	1.1
81.03384	0.4
81.07042	4.1
82.06569	0.3
83.04964	0.6
83.08590	0.6
85.10162	2.6
91.05449	0.5
93.07030	0.8
95.04945	1.0
95.08590	3.2
99.04420	2.5
105.07024	0.6
107.08578	0.8
109.02867	1.0
109.06492	0.6
109.10096	0.3
111.08032	0.3
119.08562	0.3
121.10123	0.6
123.04390	1.0
125.05973	0.5
133.10054	0.5
135.11589	0.2
147.11604	0.4
155.14285	2.8
172.21222	0.2
178.36940	0.3
198.18475	0.4
199.16907	5.6
202.85011	0.3
207.17390	2.8
209.19089	0.3
224.19930	0.5
225.18457	5.5
226.89265	0.3
235.16896	1.2
249.18460	1.4
300.32291	0.3
318.48123	0.2
361.30945	100.0
362.31293	3.9
363.32547	0.7
379.31924	0.8
549.13501	0.3
565.90814	0.3
612.58893	0.5
613.47711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.6
55.01857	5.6
55.05505	23.9
57.03426	20.4
57.07059	6.1
58.25086	1.6
59.04982	2.0
65.03924	3.8
67.05492	90.1
67.47800	1.6
67.63330	1.5
69.03387	2.4
69.07059	24.1
69.48476	3.4
69.48878	19.4
70.07381	4.1
71.04982	4.4
71.08633	4.2
79.05481	63.0
80.05817	5.9
81.03403	71.5
81.07042	83.5
82.07373	6.8
83.04962	5.7
83.08607	24.8
85.06527	4.8
85.10198	2.4
87.04443	5.1
91.05459	53.6
92.05806	6.0
93.07030	70.6
94.07362	5.2
95.04950	26.0
95.08587	58.4
96.08933	6.1
97.06522	6.0
97.10155	8.0
99.08018	2.1
105.07017	42.8
105.07701	2.7
106.07346	4.2
107.04945	6.6
107.08582	38.7
108.08921	4.9
109.06495	3.3
109.10140	24.2
111.08061	7.5
111.11690	2.1
115.05391	2.3
117.07005	15.3
119.07713	3.2
119.08559	40.7
120.08920	6.0
121.06478	4.2
121.10128	28.8
122.10454	3.5
123.08103	4.3
123.11681	8.8
124.11979	2.3
125.09614	3.1
129.07001	13.6
131.08560	33.9
132.08897	5.2
133.10110	28.5
134.10448	7.0
135.08026	2.9
135.11678	23.0
136.11989	3.7
137.09602	3.5
137.13216	2.5
142.07744	3.0
143.08560	12.3
144.08913	3.1
145.10118	20.9
146.10477	6.1
147.08009	3.6
147.11667	21.2
148.12039	4.5
149.09612	5.2
149.13219	8.7
150.13606	4.0
155.08501	3.1
157.10083	20.4
159.11659	18.6
160.12071	5.0
161.13220	10.9
162.13605	3.3
163.14758	4.4
169.10133	5.3
170.10489	3.5
171.11676	7.8
172.12004	4.2
173.13228	10.9
174.13586	4.9
175.11212	9.2
175.14836	8.2
183.11685	5.5
185.13269	7.0
186.13622	3.2
187.14851	6.1
189.11186	2.8
193.12228	20.5
197.13266	4.8
199.14828	4.0
200.15309	2.4
201.16388	3.2
211.14897	3.3
213.16441	2.1
215.17874	3.0
225.16443	2.1
225.67728	1.8
227.12827	6.9
241.19473	6.6
243.21100	5.5
259.20486	11.2
260.20963	8.0
261.22125	14.9
267.15869	93.1
268.16272	2.5
301.25247	4.5
306.11246	2.0
315.23291	2.4
317.24472	3.0
333.24246	8.3
334.24670	8.8
335.25748	85.1
336.26160	15.1
354.28717	2.0
358.70978	1.9
435.32748	3.1
453.33911	4.7
471.34970	5.1
520.42303	6.5
527.37317	49.3
528.37964	3.4
538.43536	2.6
540.59406	1.9
545.38348	27.0
546.38910	3.0
594.45325	11.7
612.46936	100.0
613.47113	3.7
627.43396	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01842	1.5
55.05501	15.0
57.03434	6.3
57.07061	3.9
57.50441	0.6
58.13851	0.5
59.04982	0.8
65.03924	1.7
67.05493	43.2
69.03386	0.8
69.07056	13.7
70.11575	0.6
70.48589	0.6
70.76170	2.4
71.04971	2.2
71.08616	2.0
71.19523	0.7
75.04451	1.0
79.05479	31.0
80.05793	0.9
81.03419	3.3
81.07041	40.2
82.07359	1.0
83.04977	1.9
83.08607	7.7
84.91731	0.6
85.06526	3.0
85.10150	0.8
89.05994	1.2
91.05453	28.2
93.07029	35.7
95.04924	3.9
95.08588	36.6
96.08879	0.8
97.06515	2.8
97.10149	3.5
99.08073	1.5
103.05489	1.0
105.04543	0.8
105.07011	29.7
107.08576	21.8
109.06506	1.9
109.10134	17.3
111.08067	1.5
115.05412	1.4
117.06995	11.3
117.07768	0.9
119.08556	26.3
120.40271	0.6
121.06493	4.2
121.10120	17.6
122.94936	0.6
123.08015	1.4
123.11689	4.2
125.09623	1.1
128.06221	1.6
129.05487	0.6
129.06981	8.3
130.07787	1.2
131.08545	20.3
133.10112	20.8
133.11127	1.2
135.11674	11.9
137.09599	1.2
137.13237	1.5
140.52170	0.6
141.06963	2.1
142.07759	1.2
143.08540	12.4
143.09610	1.1
144.09311	1.0
145.10103	22.3
147.11656	18.2
149.09616	1.3
149.13229	6.3
151.14828	1.1
155.08511	4.7
157.10088	11.2
157.26872	0.7
159.11659	15.8
161.13234	14.0
161.14500	1.0
163.11153	1.4
163.14792	3.2
165.12762	0.7
167.08601	1.5
168.09351	0.9
169.10097	5.9
171.11665	10.8
173.13248	12.0
175.11185	1.5
175.14781	6.9
177.12674	1.2
177.16342	1.4
181.10106	2.0
182.11026	0.8
183.11659	4.9
185.13225	10.3
187.11269	0.6
187.14758	5.1
189.12726	1.0
189.16437	2.2
191.14221	0.8
193.10106	0.9
193.12163	1.1
193.15784	0.6
195.11737	2.0
197.13214	4.8
199.14799	7.1
201.16351	2.9
203.17902	0.9
209.13268	1.6
211.14815	2.2
213.12944	0.6
213.16391	2.9
215.17944	2.6
217.19559	0.9
223.14906	0.9
225.16405	1.5
227.16133	0.7
227.18056	1.5
229.19528	1.8
231.21059	2.3
237.16316	1.1
239.18002	2.6
241.19548	10.6
242.19916	0.6
243.21085	3.0
253.19485	1.4
255.21120	0.7
257.18912	4.2
259.20508	18.0
260.21017	1.0
261.22064	4.9
263.23721	0.6
267.15848	4.4
275.20123	1.5
277.21619	0.9
283.20413	0.9
285.22275	1.0
297.22119	1.2
299.23712	1.3
301.25296	1.1
311.23639	1.4
313.25290	1.4
314.41135	0.7
315.23285	1.6
325.25290	1.0
327.23172	1.1
331.22681	1.3
333.24158	12.0
334.24451	0.8
335.25748	29.4
336.25998	0.8
337.27420	2.0
339.26935	1.0
351.26312	0.8
353.28357	1.0
419.33499	0.9
426.20731	0.7
475.34103	1.0
489.35886	1.3
503.37299	1.1
519.41840	6.1
527.36908	3.4
529.38531	1.0
537.42987	4.0
541.38391	1.0
545.37689	1.1
593.45093	12.0
611.46576	100.0
612.46820	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	611.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
52.20044	0.6
53.03934	1.9
55.01854	2.0
55.05501	19.4
57.03426	7.0
57.07074	3.4
60.67215	0.7
65.03925	3.0
67.05494	55.7
69.07059	20.7
69.07415	0.6
70.34237	0.6
71.04971	1.9
71.07234	2.2
71.08627	1.0
77.03924	0.9
79.05009	1.7
79.05479	41.7
81.07042	52.4
83.04940	1.6
83.08602	9.6
85.06531	2.8
87.88604	0.6
88.95724	0.8
91.05463	35.3
93.07027	47.0
95.04961	5.4
95.08592	43.8
97.06522	4.1
97.10163	4.6
99.08077	2.4
105.07014	40.0
107.08574	28.8
109.06490	1.6
109.10142	18.8
111.08070	1.9
113.09654	1.1
115.05452	2.0
116.06231	0.7
117.06998	16.8
119.08564	31.1
121.10122	21.8
121.10949	1.5
123.11691	5.3
125.09638	1.3
128.06229	2.2
129.06976	10.9
130.07742	1.5
131.08551	26.5
133.10112	26.1
135.08070	0.9
135.11673	14.3
137.09596	0.8
137.13246	1.9
139.11169	1.5
141.06982	2.7
142.07793	2.2
143.08543	12.9
144.09290	1.5
145.10095	25.0
147.11664	21.0
149.09554	1.5
149.13242	8.9
151.11185	1.4
151.14861	0.8
153.84196	0.7
155.08502	4.5
156.09314	1.2
157.10106	14.2
159.11667	21.6
161.09547	0.9
161.13237	15.2
163.11182	1.5
163.14766	4.6
167.08630	1.2
168.09406	0.8
169.10106	7.5
171.11676	16.1
173.13231	13.9
175.14816	7.7
177.16353	1.1
179.08524	0.9
181.10077	2.6
183.11674	6.8
185.13228	12.1
187.14781	7.5
189.12808	0.9
189.16374	2.3
191.14243	0.9
195.11688	2.5
197.13240	5.8
199.14799	8.0
201.16368	3.2
203.17900	1.4
209.13232	2.4
211.14734	3.5
213.16429	3.9
215.17838	3.5
217.19496	1.4
221.13255	1.1
223.14830	1.6
225.16377	1.9
227.17993	1.7
228.88861	0.7
229.19495	2.0
231.17636	0.9
231.21123	2.7
235.14714	0.9
237.16403	1.6
239.04926	0.7
239.17976	2.9
241.19559	9.8
243.21194	1.3
245.22638	0.7
251.17854	1.6
253.19669	0.8
257.18948	4.4
259.20532	22.6
261.22095	4.8
263.23642	0.8
271.20453	0.9
277.21710	1.5
299.23605	1.0
311.23624	0.9
313.25247	0.9
315.23138	1.5
325.25711	0.8
327.26721	1.2
331.22708	1.2
333.24173	15.4
335.25769	25.5
337.27310	2.4
339.26794	1.7
351.25955	0.9
359.25787	0.7
381.31741	1.0
423.32251	1.4
449.33685	0.8
501.41647	1.4
503.37411	1.4
519.41882	6.6
529.38568	1.5
537.43213	3.4
541.38873	1.5
593.45563	8.1
611.46606	100.0
612.46912	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.0
53.03931	2.3
55.01860	3.5
55.05499	13.9
57.03423	7.7
57.07042	1.0
65.03922	2.8
65.06224	0.8
67.05491	34.2
69.03416	1.5
69.07055	8.6
69.30023	0.8
69.47995	0.8
71.04961	2.5
71.81952	1.8
75.04468	4.3
79.05476	27.6
81.03407	4.3
81.07037	33.3
83.08602	5.8
85.02876	0.8
85.06524	1.1
91.05437	20.3
93.07018	28.4
95.01308	28.9
95.04964	6.9
95.08588	22.7
97.02890	1.0
97.06493	1.8
97.10142	4.2
98.42632	0.8
99.08068	0.9
105.07001	14.9
107.04945	5.9
107.08574	12.2
109.02866	1.2
109.06502	2.2
109.10138	9.7
109.51061	0.9
111.08047	1.6
115.05436	1.9
117.07001	7.6
118.07270	1.3
119.04914	3.9
119.08530	11.0
121.02804	1.1
121.06487	1.7
121.10123	12.4
123.04383	4.2
123.07980	1.4
123.11691	3.5
125.09612	2.4
125.15280	0.8
128.06181	1.0
129.06985	3.7
131.04883	3.0
131.08540	10.9
133.06429	2.5
133.10110	5.9
135.04373	1.8
135.11668	6.5
137.09567	1.2
141.06987	2.0
143.08545	3.2
145.06470	4.8
145.10124	3.7
147.04375	100.0
147.08051	2.5
147.11601	4.2
148.04739	1.5
149.05875	1.1
149.09613	3.1
149.13229	2.9
155.08566	1.9
156.09317	1.1
157.06514	3.2
157.10091	3.3
159.08035	1.7
159.11627	3.4
161.05937	6.3
161.13275	2.4
163.07524	1.2
163.11159	2.3
163.14806	2.7
164.02312	0.9
165.06966	1.5
169.06454	1.4
169.10188	1.4
171.04428	2.0
171.08034	1.8
171.11642	1.8
173.05917	1.6
173.13205	2.5
175.14711	1.5
181.06473	1.3
185.05991	1.8
185.09419	1.5
185.13231	1.9
189.11159	0.9
195.11676	1.4
197.09491	1.0
197.13263	1.2
213.12729	2.2
223.11131	1.8
241.12181	2.6
243.20995	1.0
259.13248	89.9
260.13638	3.7
261.19632	1.1
261.22064	6.0
277.14328	5.2
289.14288	5.9
297.14813	2.7
299.05991	1.0
315.15756	9.0
333.16898	24.7
335.25745	47.6
336.26071	1.2
351.17789	1.1
375.91092	1.1
519.34369	2.1
537.35980	1.6
593.38129	8.7
611.28534	2.6
611.38251	16.1
611.47894	1.6
612.38727	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.2
53.03933	0.3
55.01868	0.3
55.05497	0.3
57.03425	3.2
59.04993	0.2
61.02888	0.2
63.55767	0.1
65.03942	0.2
68.99788	0.4
69.03409	0.5
70.06583	0.2
70.56947	0.1
71.04978	20.7
71.79716	0.3
73.02901	0.4
75.04469	0.8
79.88545	0.2
81.03385	0.2
83.04971	0.7
85.02888	24.2
86.03192	0.2
87.04463	0.5
99.04425	0.3
107.04927	0.2
109.02846	0.5
111.00788	0.7
111.04424	0.5
121.02834	0.7
123.04401	0.3
127.03889	0.5
129.05452	5.6
135.04364	0.2
137.02307	2.7
144.72896	0.1
147.06569	0.9
149.02348	0.3
153.01797	2.7
161.05977	0.2
163.03911	0.8
165.01817	1.7
166.02539	0.2
173.05914	0.2
183.02882	0.5
183.04359	0.2
187.03830	0.3
201.05469	1.2
219.02847	0.2
219.06577	0.3
229.04924	3.7
229.11749	0.2
247.05949	0.7
257.04395	2.9
259.05865	0.2
274.04666	0.6
285.03952	1.4
287.05453	5.3
299.05368	0.2
303.04929	100.0
304.05264	2.1
315.04849	0.2
329.06534	0.2
345.06000	0.4
348.10690	0.1
369.05917	0.2
383.86203	0.2
413.08853	0.2
449.10721	1.2
465.10217	18.7
466.10352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1594
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03938	0.2
55.05501	0.3
57.03425	3.2
60.31065	0.2
61.02898	0.3
68.99783	0.4
69.03427	0.4
71.03386	0.4
71.04981	22.2
73.02891	0.4
74.46381	0.2
75.04454	0.8
83.04978	0.6
85.02892	23.8
87.04444	0.4
93.03352	0.2
96.36452	0.2
104.54804	0.2
108.66904	0.2
109.02862	0.3
111.00775	0.7
111.04404	0.4
121.02878	0.6
129.05460	5.6
135.04431	0.2
136.03572	0.2
137.02327	2.8
147.06471	1.1
149.02351	0.5
153.01796	2.7
159.04434	0.2
163.03882	0.5
165.01804	1.9
173.05923	0.4
176.54984	0.2
183.02856	0.7
187.03922	0.3
201.05473	1.0
209.48273	0.2
229.04924	3.6
247.05931	0.5
257.04395	2.5
274.04782	0.4
274.45187	0.2
275.05371	0.2
285.03882	1.2
287.05463	1.1
287.68762	0.2
303.04941	100.0
304.05283	2.2
315.04803	0.2
345.05872	0.7
357.61578	0.2
413.08615	0.2
431.09891	0.2
449.10608	0.6
465.10223	19.2
466.10522	0.5
485.18552	0.2
521.11627	0.2
523.21783	0.3
554.14917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1591
Annotation	Rutine
Peak:m/z	Relative Intensity
53.59557	0.2
55.01861	0.3
55.06769	0.2
56.30937	0.2
57.03422	1.6
61.02903	0.6
65.03912	0.2
68.99769	0.4
69.03413	1.1
70.18319	0.7
70.18738	0.2
71.01344	0.2
71.04975	10.6
73.02890	0.3
75.04477	0.5
81.03389	0.7
83.04953	0.6
85.02885	12.7
87.04436	0.4
91.03928	0.3
91.99461	0.2
95.04940	0.2
97.02869	1.3
99.04426	0.2
109.02835	0.6
111.00763	0.5
111.04425	0.4
115.96652	0.2
121.02848	0.6
127.03864	0.9
129.05455	3.4
134.09450	0.2
137.02299	2.0
145.04916	0.7
147.06462	1.1
149.02315	0.4
153.01793	2.8
163.03874	0.4
165.01802	1.7
173.06036	0.2
183.02835	0.6
187.03833	0.2
201.05409	1.1
219.06633	0.2
229.04898	3.2
247.06096	0.4
251.27475	0.2
257.04395	2.3
274.04678	0.7
285.03864	1.1
303.04919	100.0
304.05286	1.7
465.10220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1593
Annotation	Quercetin 3-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
52.73466	0.6
53.03931	1.5
55.01857	2.0
55.05505	6.7
57.03431	6.5
61.02916	3.9
65.03920	1.1
67.05479	1.2
68.99778	0.7
69.03421	8.6
69.47854	0.7
71.01331	1.3
71.04599	1.0
71.04981	18.9
71.10528	0.8
71.10851	0.9
73.02899	2.8
75.04456	2.5
79.05486	0.8
81.03399	5.1
83.04969	54.5
85.02892	55.4
87.04442	1.8
87.67102	0.5
89.40810	0.6
91.03925	2.0
91.05453	0.7
93.07083	0.7
95.04942	1.8
97.02885	13.0
97.06509	2.5
99.04434	3.5
101.06007	1.3
109.02859	5.8
111.04426	23.7
121.02826	1.4
123.04391	1.7
127.03892	11.9
129.05460	23.3
137.02313	3.4
137.05988	1.3
139.03825	0.8
145.04922	7.5
147.04387	1.4
147.06456	4.3
148.26331	0.8
151.03854	1.1
153.01750	3.8
159.04460	0.7
161.06024	1.1
163.03879	1.5
163.06046	1.3
163.07426	0.8
165.01811	1.7
173.05957	0.8
183.02879	1.3
189.09013	0.8
199.07509	0.7
201.05415	1.7
203.03433	0.7
207.06361	0.9
215.06996	1.2
229.04970	4.0
237.07588	1.6
255.08669	3.6
257.04385	2.4
273.09515	1.0
274.04593	1.1
285.03912	1.4
287.05508	3.8
303.04953	100.0
304.05261	1.1
315.04855	1.3
317.06577	1.2
323.05463	1.6
345.05927	3.8
356.07077	0.7
365.10153	1.5
391.11789	4.6
401.10226	0.9
409.12854	1.1
413.08655	1.7
419.11279	1.8
431.09555	1.2
437.11838	0.6
449.10382	1.2
611.16791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	2.1
60.27069	0.4
61.02886	0.7
61.78876	0.4
69.03411	1.9
69.67302	1.7
69.67737	2.4
71.04608	0.5
71.04979	10.2
73.02868	0.5
75.04475	0.5
81.03403	1.0
83.04980	0.9
85.02887	15.0
89.06020	2.2
91.05790	0.5
95.04949	0.5
95.08605	0.6
97.02872	1.7
98.21466	0.9
109.02859	1.4
111.00780	0.8
113.09632	0.6
121.02862	0.6
123.04452	0.5
127.03873	1.6
129.05464	4.0
135.06540	0.6
137.02306	2.7
140.16206	0.4
142.89551	0.5
145.04947	1.0
147.06418	0.7
153.01822	2.3
153.12698	0.7
163.02455	0.5
163.03799	0.9
165.01811	1.4
166.02531	0.6
201.05472	1.4
229.04970	3.8
257.04398	2.1
263.78952	0.5
274.04800	0.7
285.03900	0.9
303.04941	100.0
304.05338	2.3
465.10229	0.8
491.16537	0.7
509.17520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01869	1.3
55.05499	2.5
55.27401	0.7
57.03422	8.8
58.45546	0.9
59.04967	0.9
67.05482	1.3
68.99780	1.5
69.03408	3.2
69.07068	1.3
70.06573	1.7
71.04977	69.0
71.81126	1.5
73.02906	2.1
75.04452	2.7
79.05453	1.9
81.03400	2.6
81.07038	2.9
83.04958	7.3
85.02886	77.1
86.09695	1.1
87.04446	2.1
87.07475	0.8
91.05441	2.7
93.07009	1.0
95.04955	2.2
95.08566	1.6
97.02870	2.2
97.06516	5.2
99.04439	2.1
103.03931	1.3
105.03341	1.0
105.07038	2.0
107.04933	1.0
109.02825	4.6
111.00777	2.5
111.04424	3.4
119.04938	1.8
119.08534	1.2
121.02827	1.3
121.06488	1.4
121.10149	1.2
123.04429	2.9
124.07576	1.1
127.03873	5.2
129.05444	17.3
135.04385	1.1
137.02290	3.2
137.05913	1.7
140.04756	0.9
145.02800	1.2
145.04932	1.6
145.06482	1.0
147.04379	7.1
147.06482	2.0
151.03845	1.0
153.01791	11.7
155.07014	1.8
161.02289	1.0
161.05946	1.1
163.03897	2.9
165.01831	2.2
171.02826	0.9
173.02293	2.5
175.03838	1.2
176.50330	0.9
177.05367	2.7
179.03326	2.3
181.04912	2.4
181.08609	1.5
187.03859	2.1
191.03403	1.4
191.08510	1.0
201.05423	1.2
203.03360	2.8
205.11885	0.9
209.08035	2.4
211.04083	1.0
215.03371	2.7
219.02858	3.0
225.05446	1.2
229.01306	1.2
229.04993	2.0
237.05394	2.6
243.02823	2.9
243.06577	1.2
245.04495	2.2
249.05415	1.3
251.19792	1.1
253.04950	4.6
257.04379	3.2
265.04922	2.2
267.06363	1.0
269.04523	1.2
269.21146	1.2
271.02368	7.7
271.05072	1.4
279.06454	1.2
281.04370	7.1
282.05209	1.3
283.05823	1.1
285.03885	8.2
287.05371	10.9
287.10254	2.8
289.03360	3.9
295.05771	1.6
299.05399	9.9
303.04953	33.8
303.08298	2.2
309.04019	1.6
311.05438	1.4
313.03357	22.6
313.06833	1.7
323.05466	2.4
327.05011	4.3
355.04391	61.8
356.04675	2.1
373.10965	1.2
391.11749	6.0
409.12689	2.7
413.97211	0.9
419.11121	3.8
423.06958	1.2
437.12192	1.0
449.10403	1.7
465.08102	100.0
466.08466	5.0
593.16724	1.2
611.18982	1.0
611.32300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
71.78448	0.5
71.78848	1.1
74.84042	0.5
93.71465	0.5
94.92992	1.6
126.11549	0.5
127.61131	0.6
133.39299	0.5
134.96106	2.6
164.93518	4.2
178.95029	2.0
188.93469	1.1
206.94553	0.6
212.83232	0.5
212.85094	0.8
250.93509	1.4
258.93613	0.5
268.94574	100.0
269.94952	1.4
290.66971	0.6
311.21219	0.5
381.07800	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	609.4505
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02361	0.5
53.03929	1.2
55.01849	1.5
55.05501	11.8
57.03430	3.1
57.07074	2.0
59.04979	0.4
65.03917	1.1
67.05494	20.4
69.03407	0.5
69.07056	11.1
70.13766	2.3
71.04981	0.8
71.08634	0.7
76.36564	0.4
79.05012	0.6
79.05480	13.0
81.07041	19.3
83.04953	0.7
83.08607	5.6
85.06525	1.3
91.05456	11.6
93.07029	14.6
95.04935	2.0
95.08591	18.0
97.06503	1.6
97.10152	3.1
98.20789	0.5
98.98431	0.5
99.08092	0.7
103.05446	0.6
105.07006	11.9
107.08567	8.7
109.10133	8.5
111.08044	0.9
111.11666	0.5
115.05469	0.9
117.07001	7.7
119.08564	12.0
119.09399	0.8
121.10129	6.8
123.08057	0.9
123.11715	2.7
123.84591	0.4
125.09628	1.3
128.06194	2.7
129.06981	10.0
129.07932	0.6
130.07704	0.8
131.08545	11.2
133.10110	9.2
135.11681	3.7
137.09532	0.5
137.13266	1.0
139.11118	0.5
141.06949	4.9
142.07777	2.1
143.08540	12.8
145.10094	10.9
147.11665	5.5
149.13260	2.1
153.06987	1.4
154.07753	1.3
155.08525	11.3
156.09302	1.0
157.10103	13.0
159.11668	8.9
161.13211	3.1
163.11140	0.6
163.14761	0.9
165.07027	1.5
166.07724	0.8
167.08542	5.5
168.09331	1.6
169.08627	0.7
169.10098	13.9
170.10878	0.9
171.11664	11.9
173.09656	0.6
173.13252	5.5
175.14816	1.8
177.16364	0.4
179.08507	2.6
180.09254	0.6
181.10074	8.9
182.10875	1.3
183.11661	14.1
184.12474	0.7
185.09615	0.7
185.11639	0.5
185.13211	8.8
187.14824	3.1
189.16336	1.1
191.08423	0.5
193.10139	3.2
194.10870	0.8
195.11655	9.3
196.12430	0.6
197.13222	9.7
198.13817	0.4
199.13136	0.6
199.14799	5.1
201.16348	2.2
203.17868	0.6
205.10204	1.1
206.11046	0.5
207.11678	3.5
209.13231	7.6
210.14058	0.6
211.14793	7.1
213.12704	0.5
213.14651	0.7
213.16353	4.3
215.17896	1.0
219.11728	0.9
221.13177	3.3
223.14786	5.7
225.16316	5.0
227.16093	0.6
227.18031	3.4
233.13219	1.0
235.14708	2.8
237.16368	4.6
239.17911	3.6
241.19571	1.5
247.14761	1.1
249.16396	2.1
251.17926	3.3
253.19624	2.0
255.21291	0.5
257.19000	0.5
259.20523	1.0
261.16309	0.9
263.17969	1.8
265.19498	1.6
267.21173	0.7
277.19446	0.8
279.20944	0.5
281.22699	0.8
283.20389	0.7
285.21823	0.4
291.20795	0.6
293.18829	0.6
293.22552	0.6
295.20337	0.6
297.22168	0.6
299.20160	0.5
307.20389	0.9
309.22092	1.1
311.20123	0.5
311.23529	0.6
313.25266	0.4
321.22018	0.5
323.23666	0.8
325.21637	0.8
325.25211	0.5
327.23145	0.8
335.23721	1.1
337.25250	1.4
339.23105	0.6
339.26846	0.8
341.24780	0.8
349.25195	0.7
351.23001	0.7
351.26862	1.7
353.24759	0.8
355.07159	0.6
355.26346	1.0
361.25143	0.7
363.26587	0.9
365.28320	1.1
369.27679	0.7
371.26401	0.5
377.28192	0.9
379.29929	1.5
381.27820	0.7
391.29919	0.8
393.31491	1.0
395.29105	0.5
409.31061	0.8
421.30646	0.6
429.30954	0.6
433.30399	0.6
435.32391	1.2
439.32376	0.6
447.32129	1.9
449.33945	0.7
461.34027	1.3
499.39392	1.4
501.35864	0.5
511.38223	1.0
513.36346	0.6
517.40411	13.3
521.36194	1.0
525.35773	0.5
527.37140	0.8
535.41467	6.7
539.37177	1.3
541.38593	0.5
553.42084	0.6
555.41943	1.2
573.42828	2.0
591.36670	0.4
591.43976	19.0
609.45001	100.0
610.45093	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4505
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.00292	0.7
53.03930	1.8
55.01852	2.3
55.05262	0.9
55.05503	10.3
57.03429	2.5
57.07076	2.7
65.03917	1.5
67.05493	24.8
69.07059	10.5
71.04989	0.9
79.05479	17.4
81.03411	0.6
81.07040	22.8
83.03190	0.5
83.04963	1.4
83.08603	5.8
85.06526	1.5
91.05451	16.1
92.68311	0.6
93.07026	21.0
95.04942	2.8
95.08591	21.2
97.06507	2.2
97.10175	2.5
103.05475	1.1
105.04455	0.6
105.07016	16.7
105.56727	0.5
107.04887	0.7
107.08577	12.8
109.06506	1.1
109.10132	8.0
111.08044	1.3
115.05447	1.0
117.06995	9.3
119.07716	0.9
119.08566	14.9
121.06443	0.7
121.10131	7.5
123.08050	1.2
123.11671	2.6
125.09604	0.7
128.06229	1.9
129.06958	7.8
130.07744	0.6
131.08553	12.4
133.10100	12.5
135.08037	1.0
135.11691	4.6
137.09576	0.5
141.06975	2.8
142.07732	1.2
143.08524	10.0
145.10094	13.2
145.11182	0.7
147.08075	0.7
147.11653	6.5
149.09631	1.3
149.13263	3.1
153.07043	0.9
154.07764	0.8
155.08551	7.6
156.09320	1.4
157.10088	11.2
158.65070	0.5
159.10384	0.7
159.11665	9.9
161.13266	3.2
163.11215	1.5
165.06956	1.0
166.07684	0.7
167.08522	3.8
168.09314	1.4
169.10104	9.9
169.11459	0.8
171.11665	8.9
173.13208	5.5
175.14835	1.8
177.12817	0.8
179.14363	1.0
180.09349	0.8
181.10051	5.0
181.65437	0.5
182.10922	0.6
183.11668	10.5
185.13211	7.1
187.14778	3.3
189.16376	0.9
190.39241	0.5
191.08519	0.6
191.17889	0.7
193.10168	1.8
195.11682	5.0
196.12497	0.7
197.13242	7.5
197.34682	0.5
199.14784	4.1
201.16394	1.4
203.17935	0.8
207.11737	1.5
209.13219	5.5
211.14784	5.5
213.16293	3.3
215.17952	1.2
221.13220	1.4
223.14798	4.3
225.16325	3.8
227.17989	1.8
229.19487	0.9
230.36610	0.7
235.14784	1.3
237.16325	2.6
239.17949	2.2
241.19675	1.2
243.21263	0.6
249.16302	0.9
251.17975	1.6
253.19582	0.7
257.18967	4.1
259.20508	1.2
261.22131	1.0
263.17929	1.3
265.19397	1.0
267.21228	0.6
275.19995	7.3
283.20389	0.7
291.20935	0.5
297.22113	0.9
303.56244	0.5
307.20752	0.6
309.21869	0.7
313.21744	0.7
321.22241	1.0
325.25134	0.7
331.22696	0.9
335.25894	1.6
337.25238	0.9
339.23273	0.6
349.25488	0.9
351.26804	1.7
353.25027	0.6
365.28500	0.8
367.26291	0.7
393.31644	0.6
447.32382	0.9
461.33231	0.8
475.35376	0.7
499.39575	1.1
501.35760	0.6
517.40338	7.5
535.41431	3.4
539.37268	2.0
540.38220	0.7
573.42706	0.8
591.43951	8.4
609.45032	100.0
610.45111	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	609.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02340	1.3
53.03928	5.3
55.01859	8.0
55.05499	19.4
57.03427	4.1
57.07021	2.5
59.04975	0.9
60.61351	0.6
65.03925	4.3
67.05489	62.5
67.05826	2.1
68.05769	0.6
69.03381	2.0
69.07052	36.1
69.52402	0.7
69.52743	6.8
71.04980	3.0
71.08603	0.9
77.03873	1.3
79.05475	62.3
79.09876	0.6
79.70438	0.5
81.03401	6.9
81.07038	71.3
83.04967	6.6
83.08601	8.6
85.06499	3.0
87.29433	0.7
91.05457	64.1
93.07024	60.5
95.01305	11.8
95.04943	16.7
95.08585	45.1
96.08965	0.6
97.06507	17.3
97.10152	3.4
98.20683	1.0
99.04430	0.9
99.08037	1.7
103.05418	2.0
105.04459	1.9
105.07007	73.1
106.07299	1.2
107.04936	17.3
107.08572	28.2
109.02863	0.8
109.06503	8.4
109.10133	12.1
111.08028	2.8
113.09596	1.4
115.05386	2.5
116.06174	0.9
117.06988	18.0
119.04928	0.8
119.08556	40.5
121.06490	3.0
121.10120	18.3
123.04353	1.9
123.08038	4.0
123.11691	3.3
125.09570	1.9
127.07558	0.7
128.06169	1.0
129.06932	2.6
130.07721	1.7
131.08537	27.4
133.06482	1.5
133.10098	46.8
135.08069	3.2
135.11665	10.7
137.09538	2.7
139.07469	1.2
141.06909	1.9
142.07730	0.8
143.08562	3.8
145.06364	1.1
145.10088	22.5
147.07971	0.9
147.10565	1.3
147.11661	17.7
149.09610	5.7
149.13223	6.2
151.11104	2.1
153.12680	0.8
155.08502	1.5
157.10136	3.0
159.11655	13.3
161.09627	1.0
161.13228	6.9
163.11095	3.5
163.14714	1.4
165.09041	2.3
165.12717	0.8
169.10085	1.6
171.11629	2.8
173.13281	4.6
175.11093	0.8
175.14804	1.7
177.12714	4.6
179.10703	0.9
179.14270	18.7
181.12163	1.0
183.11629	2.2
185.13243	1.6
187.11105	2.6
187.14746	1.3
193.12193	1.0
195.13737	1.5
197.13167	1.8
201.12645	1.3
201.16348	1.5
203.14288	1.1
205.12140	1.0
209.15401	0.8
215.17967	1.1
219.13943	1.1
219.17398	28.5
229.19461	1.9
233.15256	0.8
239.17841	3.0
241.14275	1.8
247.20488	2.7
257.09274	0.6
257.18945	7.6
261.22061	1.6
275.19998	100.0
276.20377	1.9
293.21051	9.0
317.24698	0.9
331.22638	0.9
335.25623	1.7
339.20685	0.7
349.23712	3.1
351.77020	0.6
366.91461	0.7
367.23398	0.6
389.34235	1.4
411.22656	7.9
439.25717	6.6
530.14069	0.6
532.06757	0.7
609.45001	99.9
610.45709	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	609.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11027	0.2
53.03920	0.4
55.01847	0.3
55.05500	2.6
57.07064	4.4
62.62168	0.2
67.05486	2.4
68.04990	0.3
69.07054	3.4
69.81607	1.4
70.02925	0.4
70.06570	0.5
70.76730	0.2
71.08617	3.6
79.05478	1.1
80.04973	0.6
81.04507	1.2
81.07040	2.8
82.06564	1.1
83.04952	0.3
83.08609	1.1
84.04446	0.3
85.10162	1.8
91.05437	0.7
93.06996	1.0
94.06546	0.5
95.04916	0.7
95.08588	3.2
96.04445	0.5
96.08012	0.2
97.03984	1.2
97.06468	0.3
97.10138	0.5
98.20765	0.3
100.03942	0.5
102.05502	0.4
105.03366	7.3
105.06976	0.7
107.02412	5.3
107.08536	0.6
108.04432	0.3
109.10126	1.1
110.06000	1.0
115.05415	0.6
117.06978	0.4
118.06508	0.4
119.08542	0.5
120.04440	0.5
121.10101	0.2
123.05521	1.7
125.03419	0.5
127.30428	0.2
128.07018	0.3
129.06923	0.3
130.06505	3.3
131.08559	0.3
132.04390	0.9
132.08032	1.6
133.10120	0.3
135.05507	0.6
135.11647	0.3
136.94389	0.2
137.13187	0.2
139.04951	0.3
142.06482	0.6
143.07149	0.3
144.08043	3.2
145.10101	0.2
146.05960	1.4
147.09065	0.4
150.09116	0.2
150.87331	0.2
154.06429	0.4
155.14230	0.3
156.08035	1.5
157.07565	0.3
158.05974	3.1
158.09604	2.1
159.09177	0.4
160.06316	0.3
160.07550	3.8
161.19389	0.2
167.04471	0.3
167.07225	0.7
168.08051	1.6
169.07565	1.6
170.05974	2.5
171.09079	0.3
172.07532	3.1
175.08594	0.4
179.14221	0.2
180.08084	0.4
182.05890	0.4
182.09570	0.8
183.09108	1.2
184.06241	3.7
184.07568	2.6
185.07060	9.1
185.08707	0.5
185.10638	0.5
186.05476	0.3
186.07605	0.3
186.09067	1.3
194.09546	0.4
194.54225	0.2
195.09102	1.2
196.07532	1.6
196.09773	0.2
197.06998	0.4
198.07626	0.3
198.09279	0.3
199.08591	0.4
199.12305	0.4
200.07048	0.6
201.10222	1.0
202.08571	0.5
207.17358	0.6
209.10764	0.5
210.07739	0.6
210.09406	0.3
211.08609	2.3
211.12216	0.5
212.07091	0.4
212.09335	0.4
213.06593	1.0
213.10182	3.3
223.08551	0.4
224.06924	0.2
227.08253	1.3
227.11700	1.7
229.09692	0.6
229.13168	0.3
234.22253	0.3
235.20508	0.5
236.20038	0.6
237.10211	0.2
238.08572	0.3
241.09663	0.4
255.11195	0.3
257.09161	12.7
261.15817	0.2
264.23215	0.5
270.04248	0.2
273.12256	2.1
275.20016	0.4
284.19925	0.3
285.08652	0.5
287.40771	0.3
299.10095	0.6
310.21555	0.7
312.23175	0.3
336.22961	0.3
339.20630	7.2
340.21191	0.2
349.22662	0.3
350.24820	0.3
354.24222	0.4
355.07007	0.2
361.34891	0.3
367.23737	8.9
368.24219	0.4
377.25787	0.5
389.34048	5.3
395.26843	1.2
411.22693	94.1
412.23065	3.3
425.24200	1.3
427.25919	1.4
437.27972	0.3
439.25833	100.0
440.26257	4.0
455.28955	0.7
516.37610	0.2
591.41974	0.3
609.44537	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.5
53.00292	0.8
53.03937	8.6
54.59072	0.8
55.01858	5.8
55.05501	24.8
57.03424	12.0
57.07062	1.3
59.04998	0.8
61.02908	1.7
65.03925	2.4
67.05491	52.0
69.03418	20.4
69.07056	13.3
70.92056	0.8
71.01340	3.3
71.04983	10.1
71.39908	1.7
72.63198	0.9
75.12915	0.8
76.43452	1.0
77.03918	0.8
79.05479	46.5
80.72649	0.8
81.03404	93.2
81.07040	38.0
81.07529	1.2
83.04967	24.1
83.08607	14.7
85.02421	0.6
85.02892	17.3
85.06539	3.9
91.03942	1.5
91.05457	35.6
93.07027	44.0
95.04950	24.4
95.08591	14.4
97.02866	18.0
97.03446	1.3
97.06511	10.9
97.10152	11.5
99.04424	6.4
99.08066	1.2
100.37208	0.8
103.05465	1.6
105.03361	0.9
105.04567	1.0
105.07018	22.8
107.04933	8.4
107.08572	27.4
109.02863	14.7
109.06509	4.6
109.10141	8.6
111.04426	14.6
111.08057	8.7
111.55599	0.8
113.05979	2.0
115.05460	1.8
117.07008	9.1
119.04958	1.8
119.08568	17.8
121.06473	5.4
121.10115	12.4
123.04414	2.1
123.08039	2.7
123.11676	1.5
125.05984	1.1
125.09598	4.0
127.03893	10.1
129.05493	1.9
129.06989	8.1
130.07788	0.9
131.04932	2.6
131.08531	11.4
133.06480	3.0
133.10121	10.6
135.04416	1.4
135.08078	3.8
135.11670	29.1
137.05983	1.0
137.09637	2.7
141.07045	1.4
142.07747	1.2
143.08563	2.5
145.06474	2.8
145.10100	11.7
147.04413	1.9
147.08034	3.8
147.11661	11.6
149.05937	1.6
149.09593	4.3
149.13293	1.0
151.11137	1.2
153.09108	1.1
153.12767	4.4
155.08524	2.5
156.68095	1.0
157.10106	9.8
159.08005	1.9
159.11687	1.4
161.09601	1.4
161.13181	0.8
163.11157	9.3
165.12735	3.5
169.10104	2.1
171.11729	1.3
173.04480	2.3
173.09631	1.8
175.11177	7.1
181.10211	1.0
181.10506	1.3
181.12173	10.6
185.09633	1.0
185.13298	1.8
187.11130	1.2
189.11234	2.0
189.12714	1.1
191.10583	4.6
193.12204	27.6
195.11708	0.9
197.13321	1.0
199.11230	1.6
199.13249	2.0
199.14935	1.2
203.14371	1.6
211.11244	2.4
211.13254	40.1
213.12813	1.2
217.05019	1.4
217.12280	1.2
221.15396	1.1
223.13213	1.1
227.12680	6.7
229.12216	1.1
235.13312	2.6
237.14908	1.9
243.13866	0.8
247.13391	0.9
249.14935	2.0
253.14453	2.3
255.13487	1.5
255.15912	15.1
261.14883	2.0
267.15845	7.3
269.17508	0.8
273.14847	1.3
276.41605	0.9
277.14346	1.7
283.15488	3.3
285.16986	5.0
289.14511	1.8
297.16867	1.4
301.14087	2.0
307.15286	1.7
317.06573	3.0
319.15518	1.4
325.16364	5.6
337.16440	4.2
337.21521	1.3
347.18457	1.3
355.17578	7.0
355.22705	2.9
363.18066	2.6
373.23581	2.3
375.18066	1.0
381.18970	5.5
391.24561	1.0
393.19113	1.6
399.20169	1.2
403.24670	1.1
411.20132	5.0
419.27933	1.1
421.25848	2.7
429.26471	3.4
447.27328	23.9
465.28482	19.7
481.27325	1.1
489.28320	1.3
524.35632	0.9
531.29608	1.3
555.29449	2.3
573.30591	3.8
591.31378	9.1
609.32611	100.0
610.32684	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	609.27
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03917	0.4
55.05498	1.4
56.63389	0.3
57.03434	0.6
57.07065	0.3
67.05492	3.8
69.03393	0.5
69.07055	1.6
69.76950	2.6
74.96755	0.4
79.05477	3.6
81.07045	3.5
83.08609	0.7
91.05451	2.7
93.07034	3.1
95.04960	0.8
95.08602	2.4
98.20670	0.5
105.07027	2.3
107.08585	2.0
109.10174	1.2
117.07013	2.1
118.20901	0.4
119.08563	1.8
119.61811	0.3
121.10152	1.3
129.06996	1.0
131.08559	2.0
133.10115	1.5
135.11690	1.1
143.08540	0.5
145.10123	2.8
147.11719	0.8
149.13235	0.5
155.08504	0.4
157.10159	0.9
159.11656	2.0
161.13249	0.9
169.10127	0.7
171.11667	0.8
173.13263	1.2
183.11690	0.8
185.13235	0.9
197.13304	0.4
209.10878	0.4
224.13016	0.4
225.13945	0.5
237.13864	0.7
239.17931	0.8
257.18884	1.8
259.20468	0.4
275.20193	1.6
293.21228	0.3
335.25858	1.3
377.17761	1.0
389.18390	0.6
390.18579	1.2
391.19144	1.7
392.19995	1.5
393.20679	0.8
401.17770	0.8
403.19662	1.1
404.20828	0.8
405.21082	3.4
406.21555	1.4
407.22256	3.7
408.30560	0.5
413.17673	0.7
414.18259	0.4
415.19174	2.4
416.20123	0.5
417.21436	0.7
419.18378	1.1
419.22543	1.3
420.23291	0.8
421.23892	4.0
422.24713	0.8
427.19403	0.7
428.20074	0.6
429.20984	2.5
430.22052	1.0
431.18335	0.9
431.23386	0.4
432.19693	0.6
433.20151	1.0
433.24554	1.0
434.24973	0.5
435.21695	1.1
440.75525	0.4
442.21860	0.6
443.22131	1.3
444.23013	1.1
445.20203	0.7
446.21185	0.9
447.18207	2.1
449.23343	1.0
452.22058	0.7
457.24445	1.8
458.24933	0.9
459.21936	4.0
460.23538	1.7
461.19019	4.7
462.20193	2.8
463.21143	2.4
471.17981	0.7
472.22586	1.4
473.19470	0.6
474.20016	0.6
475.20966	6.5
476.21661	6.6
477.22501	4.4
478.23779	1.5
479.24380	0.6
485.23474	9.0
486.20078	3.4
487.25656	0.8
488.22064	1.1
489.22879	5.5
493.22052	0.6
494.27026	0.8
497.23611	0.6
499.21289	2.8
500.21924	1.7
502.23703	0.9
503.24460	6.4
504.21448	0.5
504.25037	0.6
507.24115	0.7
513.22717	1.6
515.24445	7.2
516.25177	0.5
517.22760	1.1
521.25970	3.0
526.25970	0.5
531.23901	16.8
531.32056	0.8
532.24310	1.1
535.23474	0.6
541.22498	0.8
548.24091	0.5
549.24811	2.5
550.25653	4.2
551.25983	0.5
559.23505	6.7
577.24365	1.2
581.27747	0.4
585.67688	0.4
591.25989	27.7
592.26349	1.2
609.27020	100.0
609.44800	7.1
610.27344	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	609.2696
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05494	1.0
67.05493	2.7
69.07067	1.0
69.73698	1.3
69.74111	0.7
76.14542	0.3
77.25346	0.3
77.51699	0.3
79.05487	2.3
81.07040	2.5
83.04991	0.3
83.08593	0.4
86.15150	0.3
91.05416	1.7
91.78237	0.2
93.07026	2.5
95.04964	0.5
95.08595	1.6
97.10123	0.4
98.21506	0.4
105.07041	2.0
107.08591	1.1
109.10152	0.5
110.08240	0.3
117.07016	0.6
119.08580	1.2
121.10132	0.9
131.08543	1.6
133.10114	1.3
135.11681	0.7
143.08615	0.4
145.10126	1.7
147.11714	0.8
149.09592	0.4
157.10153	0.9
159.11678	1.0
161.13268	0.4
166.27725	0.3
169.10138	0.5
171.11702	0.4
173.13277	0.4
197.13286	0.4
257.19064	0.7
275.19980	1.6
293.21146	0.4
331.22821	0.4
335.25961	0.5
355.06900	0.5
363.15863	0.5
376.16806	0.6
377.17651	2.0
378.18427	0.7
379.19293	0.8
389.17651	0.4
390.18341	1.0
391.15622	0.4
391.19302	2.8
392.19904	1.9
393.20496	1.6
403.19473	0.5
404.15894	0.7
404.20441	0.5
405.16354	3.4
405.20978	1.4
406.17084	1.4
406.22318	0.4
407.22437	6.2
408.22849	0.8
418.17114	1.4
419.18250	4.6
419.23404	0.6
420.19064	2.8
421.19995	2.8
422.20795	0.4
431.18896	0.5
432.19769	0.4
433.16083	2.3
433.21243	4.2
434.21130	4.6
435.21704	9.5
436.22366	1.3
447.18033	3.0
447.22491	1.7
448.18982	1.4
449.19327	2.2
461.18875	2.5
462.20334	7.3
463.21179	6.5
464.21799	0.8
475.21423	3.3
476.21921	0.9
479.20038	0.4
489.22882	1.8
490.23499	0.7
493.26657	0.4
494.22919	0.5
506.22757	0.4
507.20535	1.1
517.22406	0.7
521.25616	8.6
522.25555	0.5
549.24908	29.0
550.25342	2.6
577.24799	0.4
581.27332	1.7
592.00238	0.3
594.25232	0.4
609.26996	100.0
609.44690	6.1
610.27313	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	609.2696
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03925	0.5
55.01865	0.6
55.05499	1.9
57.03414	0.3
57.07042	0.3
65.03905	0.4
67.05492	4.6
69.07054	2.7
79.05476	4.1
81.07043	4.6
83.08598	0.5
91.05448	3.2
93.07032	4.4
95.04953	1.1
95.08593	4.0
97.06522	0.8
97.10143	0.5
98.20720	0.8
105.07020	3.0
107.04950	0.6
107.08594	2.3
109.06517	0.4
109.10146	1.3
117.07030	1.6
119.08570	2.0
121.10143	1.5
123.08104	0.3
125.09641	0.4
129.06973	0.6
131.08562	2.3
133.10115	2.0
135.11690	0.7
143.08563	1.2
145.10094	2.8
147.11682	1.2
149.09601	1.1
149.13182	0.4
155.08546	0.5
157.08966	0.3
157.10156	0.8
159.11649	1.5
161.13269	0.9
163.11201	0.7
165.52788	0.3
169.10136	0.7
171.11722	1.0
173.13295	0.6
179.14256	0.5
181.10167	0.3
183.11726	0.4
185.13272	0.7
185.67125	0.3
195.11795	0.3
197.13300	0.7
211.14760	0.4
219.17525	0.3
223.12221	0.3
237.13780	0.4
239.17963	0.4
251.15428	0.5
257.19009	1.1
275.20126	2.8
288.80780	0.3
293.21356	0.3
331.22913	0.4
335.26157	0.6
355.07159	0.3
373.15576	0.3
376.16998	0.6
377.17630	1.0
378.18787	0.4
389.18170	0.5
390.18607	1.2
391.19174	1.7
392.20090	1.5
393.20810	0.5
400.16885	0.4
401.17722	0.6
403.19659	0.7
404.15994	0.4
404.20813	0.5
405.20828	2.9
406.21710	1.6
407.22333	3.0
407.27362	0.5
408.22781	0.5
413.17697	0.6
415.19168	1.4
416.20334	0.5
417.20914	0.7
419.18359	1.2
419.22498	1.3
420.22952	0.8
421.23907	4.0
422.24704	1.0
424.23224	0.4
427.19620	0.4
428.19870	0.4
429.20877	1.4
430.22025	1.5
431.18036	0.7
431.22961	0.5
432.19141	0.4
433.20242	1.1
433.24594	0.8
435.21350	0.4
443.22696	0.6
444.23392	0.8
445.20236	0.5
446.21271	0.8
447.17993	1.3
447.22659	0.6
448.18561	0.5
449.23291	0.9
452.22101	0.7
456.19504	0.5
457.23877	1.3
459.21970	2.5
460.23187	1.5
461.18970	4.8
462.20239	2.9
463.21451	1.1
465.22928	0.5
470.21289	0.5
471.17685	0.7
472.22665	0.6
473.20010	1.0
474.20590	1.0
475.21094	7.3
476.21738	5.9
477.22397	4.2
478.23822	0.8
479.24249	0.5
485.23434	6.8
486.20050	2.0
487.20657	0.7
487.25476	0.5
488.21896	1.1
489.22873	5.3
490.23151	0.3
491.24777	0.3
493.21774	0.7
493.27151	0.4
494.26443	0.8
497.23267	0.6
499.21179	4.0
500.21909	1.5
502.23911	0.4
503.24542	6.5
504.21820	1.2
505.22198	0.6
507.23312	0.4
511.37152	0.7
513.22729	1.1
514.23700	0.4
515.24377	5.8
516.24701	0.7
517.22198	2.0
518.23016	0.9
521.26031	3.3
531.23840	9.2
532.24603	1.0
535.23370	1.0
541.22772	0.7
548.24756	0.3
549.25372	1.8
550.25659	4.2
551.26385	0.5
559.23413	4.5
560.23676	0.6
563.26526	1.3
577.24323	2.0
591.25909	10.9
591.42987	0.5
592.25928	1.0
609.26990	100.0
609.44849	10.9
610.27307	7.4
610.34814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2694
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01863	0.6
55.05505	1.8
57.03410	0.6
60.62058	0.6
67.05498	3.9
69.07053	1.7
71.79399	1.0
75.97173	0.6
79.05482	3.7
81.07044	3.5
83.04942	1.0
83.08617	0.7
91.05416	2.9
93.07038	3.3
95.04962	0.9
95.08604	2.6
105.07033	3.1
107.08575	1.6
109.10152	1.7
117.07015	0.8
119.08572	1.5
121.10133	1.1
129.07005	1.1
131.08502	2.7
133.10115	1.6
135.11574	0.9
145.10114	2.6
147.11652	0.8
155.08466	0.8
159.11650	1.5
160.93797	0.5
169.10184	1.2
171.11696	1.3
197.13396	0.7
275.20233	1.6
304.00452	0.6
355.07083	0.7
405.20618	1.0
415.18890	1.1
416.20200	0.8
419.22610	1.2
429.20926	3.3
430.21646	0.6
431.18298	0.8
432.19635	1.3
433.19632	0.8
433.24500	1.5
441.88303	0.6
443.22101	1.1
444.23450	0.7
447.21704	2.1
457.19803	0.8
458.24844	0.8
459.21646	4.7
460.22751	3.0
461.24246	4.1
462.19925	1.3
463.21146	1.0
468.37820	1.7
472.22308	1.9
473.23706	1.1
474.24490	0.8
475.21017	1.2
476.21927	2.1
477.22980	2.0
485.23529	1.9
487.25394	3.5
489.22836	1.8
503.24750	1.6
511.37976	0.9
518.22815	0.8
519.24036	2.6
521.21313	2.8
531.23871	23.6
531.32117	1.1
532.24426	2.2
549.24896	14.2
550.25262	1.1
563.26196	0.7
591.25897	2.3
609.26984	100.0
609.44586	6.7
610.27393	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	609.1805
Annotation	Diosmin 
Peak:m/z	Relative Intensity
51.33136	0.2
53.03928	0.3
55.05485	0.3
57.03420	1.4
60.21900	0.2
61.02912	0.4
67.05474	0.2
69.03404	1.0
69.07045	0.2
69.60386	0.2
71.04980	7.1
71.81138	0.2
71.81561	0.2
73.02897	0.2
75.04456	0.3
79.05460	0.2
81.03391	0.6
81.07041	0.3
83.04948	0.6
85.02892	11.4
87.04432	0.4
91.05412	0.2
93.07034	0.2
94.51157	0.2
95.04958	0.2
95.08607	0.4
97.02867	1.2
97.06507	0.2
97.66399	0.1
98.21921	0.2
99.04424	0.4
100.11224	0.2
105.03381	0.5
106.02881	0.2
107.04948	0.5
107.08548	0.4
109.02857	0.5
109.10121	0.2
110.90399	0.2
111.04402	0.4
121.02840	1.6
123.04409	0.3
124.01509	0.2
125.02399	0.2
127.03882	0.7
129.05469	2.4
133.02905	0.2
133.10133	0.2
135.04393	0.2
145.04956	0.4
147.04385	0.4
147.06416	0.4
151.03847	0.6
151.07509	0.2
167.03387	1.6
177.05321	0.2
179.03386	0.7
197.04475	0.3
199.07399	0.2
210.14841	0.2
220.24858	0.2
227.06998	0.6
245.08055	0.2
254.07985	0.2
255.06366	0.4
257.04517	0.3
258.05188	2.7
272.06781	0.6
283.06012	0.2
286.04672	3.4
287.05136	0.3
301.07019	100.0
302.07297	2.5
317.06381	0.2
463.06271	0.6
463.12518	0.6
555.13440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1595
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
53.03909	0.1
56.45185	0.1
57.03429	0.1
58.17041	0.1
65.03923	0.3
67.01855	0.1
67.05484	0.1
68.99783	0.3
69.03413	0.3
69.07056	0.2
71.79463	0.2
79.05479	0.3
80.70641	0.1
81.03394	1.2
81.07033	0.2
83.04954	0.2
85.02885	0.4
91.05457	2.1
93.07037	0.2
95.04945	0.2
95.08580	0.3
97.02869	0.1
97.10107	0.1
99.04452	0.2
105.03377	0.3
105.07005	0.1
105.16549	0.1
107.04839	0.1
107.08615	0.2
109.02857	0.5
109.10143	0.2
110.80635	0.1
112.39328	0.1
117.03304	0.1
119.04918	4.9
119.08555	0.1
121.02847	0.1
121.06499	0.1
123.04478	0.1
123.08069	0.1
125.05952	0.2
127.03906	0.3
137.02301	0.2
145.02812	0.3
145.04903	0.1
147.04376	29.4
148.04723	0.5
149.05965	0.4
151.03920	0.5
153.01794	1.7
159.11584	0.1
165.05443	0.7
171.02856	1.1
174.02879	0.1
175.03868	0.6
177.05426	0.5
184.07376	0.2
193.04919	0.2
201.05382	0.2
255.06490	0.3
258.05188	10.6
259.05722	0.3
271.05936	0.2
286.04657	30.4
287.04990	1.0
291.08554	1.9
301.06995	100.0
302.03995	0.2
302.07339	3.0
309.09595	1.1
315.52170	0.1
514.78918	0.1
609.15411	0.8
609.31030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1438
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
53.03932	1.2
55.01860	0.3
57.03413	0.7
61.02900	0.7
66.94919	0.2
67.05493	0.4
68.99770	0.6
69.03083	0.4
69.03419	4.8
69.07035	0.2
69.72930	1.1
69.73351	1.0
71.04970	1.4
73.02898	1.3
74.22157	0.2
81.03402	5.4
83.04974	0.2
85.02890	13.9
86.03171	0.2
86.09711	0.3
92.94292	0.2
94.06535	0.3
95.04952	0.4
97.02877	9.2
99.04438	9.8
103.03926	10.7
109.02860	6.4
111.00790	0.8
120.08078	0.4
121.02850	1.0
123.04409	0.3
127.03892	20.9
128.04236	0.4
137.02330	2.9
145.04941	9.8
149.02328	0.4
153.01790	3.2
161.05969	0.3
163.03899	0.5
163.05991	2.4
165.01791	1.7
173.05992	0.3
183.02783	0.6
187.05945	1.7
199.05974	0.4
201.05498	1.8
205.04892	0.5
205.06891	0.4
229.04913	3.6
247.06026	0.9
253.07065	0.3
257.04413	2.2
265.08536	0.2
271.08005	1.2
274.04730	0.8
285.03818	0.9
295.05902	0.2
299.00610	0.3
302.04266	0.3
303.04941	100.0
304.05280	2.6
307.10184	0.4
345.05975	2.1
345.85153	0.2
369.05875	0.4
411.07031	0.4
530.71576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01863	1.2
55.05511	0.7
57.00402	0.6
57.03416	1.1
61.02899	2.1
64.27451	0.7
69.03417	11.6
71.04979	4.4
71.79877	1.1
73.02917	3.8
81.03403	13.3
83.04955	0.9
85.02891	62.1
87.04457	1.1
91.03940	0.9
91.05470	1.0
95.04954	0.7
97.02878	26.2
99.04441	35.1
103.03926	74.4
105.03344	0.9
105.07012	4.4
109.02142	1.4
109.02859	19.6
115.03896	1.6
120.08112	3.8
121.02866	1.3
121.06412	0.8
121.92352	0.7
123.04405	1.1
124.61900	0.6
127.03895	100.0
128.04285	0.8
137.02293	3.1
137.05919	1.0
145.04932	50.3
147.04355	0.9
153.01804	1.2
163.05995	66.3
164.06372	0.7
165.01813	0.8
169.04959	1.6
171.37869	0.7
179.31964	0.8
180.08652	1.6
181.04742	0.8
187.06009	7.1
195.81744	0.8
205.07040	4.2
229.04933	1.4
229.06995	0.9
235.05881	0.7
237.09863	0.7
247.08145	1.4
253.07059	2.6
257.04456	1.1
271.08078	13.9
289.09116	13.0
302.10211	1.2
303.04953	41.9
307.10178	29.5
345.05835	0.8
357.45721	0.7
397.11444	0.7
411.16550	3.6
415.12296	3.5
418.08240	1.3
433.13504	3.2
437.07666	0.8
451.14389	1.8
453.12540	0.8
521.54114	0.7
542.74438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.9
57.07011	2.4
60.81850	0.6
67.05437	2.0
69.07021	0.9
70.68680	1.0
70.69057	2.2
71.08559	2.4
74.73386	0.6
79.05469	0.8
81.06982	2.8
81.07430	0.7
91.05454	4.0
93.07032	5.3
95.04910	1.7
95.08529	2.7
100.18404	0.7
103.05386	2.6
105.06966	1.5
121.04159	0.7
121.06483	22.5
141.10426	0.7
145.43263	0.7
148.07504	1.5
234.09143	1.6
237.07715	1.1
247.09949	1.0
248.07010	2.4
249.05429	1.9
261.07727	1.8
262.08618	10.2
263.09256	2.7
273.07751	2.5
274.08536	4.4
275.09308	2.2
276.06479	1.0
277.07199	2.8
278.11649	1.7
280.09537	1.4
288.08820	1.0
290.08041	25.1
290.11313	1.3
291.08829	36.6
292.09546	4.0
301.09860	1.0
302.07773	3.4
303.08490	1.2
303.11496	1.3
304.09277	1.4
306.11172	89.9
307.11499	2.3
308.09265	0.8
313.09628	2.0
317.09235	2.6
318.11005	3.0
329.12802	1.9
331.10709	22.4
332.10886	0.7
333.12274	9.5
345.11670	0.8
346.13052	1.7
347.14230	0.8
384.54495	0.7
399.08005	0.7
400.17484	0.8
410.13739	5.8
437.14716	1.2
453.17996	100.0
454.18411	4.3
460.24741	6.6
467.23114	1.1
470.23303	2.1
547.26770	1.5
589.30609	0.7
607.31555	59.9
608.31732	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2903
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
64.28693	0.2
67.74478	0.2
71.29164	0.3
101.01453	0.2
181.84781	0.2
312.15146	0.2
373.47775	0.2
388.16470	0.4
389.17386	0.9
397.67035	0.2
399.72678	0.2
401.17648	0.3
402.18494	0.8
403.19086	2.1
404.19849	0.6
405.20630	1.4
415.19507	0.2
416.19955	0.6
417.16626	0.5
417.21222	2.4
418.21945	1.2
419.22321	2.8
430.17670	0.8
430.22485	0.3
431.18143	6.0
432.18558	1.5
433.15076	0.2
433.24033	5.7
434.24933	1.0
443.18369	0.3
444.19330	0.6
445.19724	6.5
446.20517	3.3
447.21707	4.1
449.23297	0.3
458.21112	0.3
459.21420	3.4
460.22446	9.5
461.23245	11.3
462.24301	0.4
473.23553	2.7
474.24304	1.1
477.22897	0.8
487.25116	1.5
488.25571	0.4
489.22885	0.3
491.19882	0.4
491.24969	0.5
492.25058	0.8
504.25220	0.3
505.21674	2.7
506.26639	0.6
515.24487	0.6
518.22894	0.4
519.24017	1.5
519.26434	1.2
520.24329	0.4
531.24548	0.2
532.24658	0.9
533.25360	0.4
546.22449	0.2
547.26965	31.7
548.27313	2.4
575.26141	1.0
578.25031	0.6
579.29437	0.5
607.29041	100.0
608.29364	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2901
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
62.20268	0.4
71.58071	0.7
79.42513	0.4
208.63235	0.4
315.70770	0.4
387.16260	0.4
389.17349	1.1
390.18533	0.4
401.17950	0.7
402.18198	0.9
403.19186	3.3
404.19690	1.4
405.20770	1.9
416.19690	1.4
417.16055	0.8
417.21280	4.3
418.21692	2.6
419.22269	4.1
420.22577	0.7
430.17114	0.6
430.22018	0.8
431.17957	8.2
431.23340	1.0
432.18271	2.3
432.23880	0.9
433.23929	12.2
434.24515	2.1
441.78964	0.4
444.19308	1.2
445.19760	11.2
446.20682	6.1
447.21487	4.9
449.23358	0.6
459.21359	5.3
460.22440	15.7
461.23227	17.3
462.23450	1.7
473.23520	3.6
474.24307	1.8
477.22415	0.6
487.24808	2.2
488.25867	0.9
491.24530	0.6
492.24814	0.8
505.21234	2.7
506.27222	0.9
515.24225	1.1
519.27283	2.6
532.24585	1.3
533.25537	0.5
547.26959	54.7
548.27307	6.2
549.24823	0.5
575.26227	1.1
579.29694	0.6
607.29059	100.0
608.29199	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	607.2538
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.09398	0.2
51.64785	0.2
67.05471	0.2
67.15738	0.2
69.89147	0.3
69.89550	1.1
81.07021	0.4
91.05479	0.3
93.07005	0.2
112.11268	0.2
115.42123	0.2
117.06941	0.2
120.08078	0.3
146.09622	0.7
172.03937	0.2
178.94682	0.2
183.09198	0.3
209.10616	0.3
251.11664	0.2
276.88977	0.2
281.12927	0.2
300.23230	0.4
310.13394	0.2
361.26660	0.2
373.14337	0.2
374.15085	0.2
375.15906	0.5
386.15900	0.2
387.16043	0.4
388.16739	0.9
389.17505	2.0
390.18234	1.0
391.19363	0.8
401.18042	0.4
402.14099	0.4
402.18570	0.7
403.15277	0.5
403.19382	3.8
404.15915	0.2
404.20016	1.5
405.20654	3.0
405.25345	0.3
415.14847	0.2
415.19669	0.5
416.15494	0.9
416.20734	0.4
417.16202	3.9
417.21136	1.5
418.16742	0.9
418.21710	0.7
419.22461	5.7
420.23370	1.1
429.16904	0.5
430.17755	0.8
431.18225	7.1
432.19153	2.9
433.19974	3.6
435.21817	0.3
436.22247	0.3
437.22748	0.4
441.17175	0.3
443.18875	0.2
444.19382	0.6
445.20053	4.6
446.20972	6.9
447.21600	8.0
448.22141	0.6
449.19684	0.4
457.20712	0.2
459.17032	0.5
459.21771	1.6
460.18555	0.6
460.23434	0.3
461.19293	1.7
462.24072	0.6
463.20654	0.5
473.19409	0.7
473.24451	0.3
474.20258	4.4
475.20969	4.4
476.21667	0.3
477.22897	0.6
478.23611	0.7
479.24344	0.3
487.21237	1.5
488.22186	0.3
490.24249	0.4
491.20016	3.1
501.16422	0.2
501.22601	1.0
505.22137	0.9
506.22964	0.6
519.24023	16.9
520.24457	0.8
529.22052	0.5
533.21753	0.2
547.23297	13.1
548.23718	0.8
551.26636	0.5
557.21332	0.2
561.24445	0.3
575.22406	0.3
579.25891	5.0
580.25482	0.3
589.24646	0.3
607.25385	100.0
608.25745	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	603.3151
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03931	8.0
55.01861	14.2
55.05502	37.0
57.03429	12.6
57.07063	1.8
67.05492	40.9
68.57996	1.6
69.03410	9.9
69.07052	13.5
71.01347	1.6
71.04967	7.2
71.45661	1.8
71.65336	1.6
71.81200	2.8
79.05476	42.7
81.03403	49.6
81.03870	3.2
81.07039	48.5
83.04965	13.8
83.08603	22.0
85.02892	26.4
85.06534	5.6
90.34539	1.6
91.05459	47.5
93.03371	2.3
93.07023	29.4
95.04951	53.9
95.08594	21.1
96.05289	2.2
97.02884	6.1
97.06503	7.2
97.10148	25.7
99.04462	2.9
99.08110	2.0
103.05444	7.6
105.03376	6.1
105.07013	30.8
107.04926	23.1
107.08562	21.9
109.02857	13.2
109.06493	10.3
109.10155	11.5
111.04422	14.2
111.08082	9.1
113.06009	1.8
115.05421	10.0
117.07006	13.5
119.04900	8.4
119.08542	23.7
121.02861	12.5
121.06483	15.9
121.10133	14.2
123.04400	6.5
123.08056	6.7
123.11672	4.3
125.09608	15.1
127.03920	2.0
128.06178	5.3
129.06979	18.1
129.16605	1.6
131.04913	16.5
131.08563	16.7
133.06485	14.7
133.10101	9.8
135.04388	4.9
135.08035	7.6
135.11684	7.3
137.02330	7.2
137.05974	3.5
137.09581	1.7
138.09164	2.6
139.03772	1.7
141.06979	8.4
142.07736	2.8
143.08530	8.6
144.05688	2.4
145.06465	25.6
145.10068	11.4
147.04395	10.9
147.08072	10.2
147.11667	9.2
149.05980	7.5
149.09563	9.2
149.13176	2.4
151.03883	2.7
151.07478	1.6
152.06296	1.9
153.06976	2.4
153.09120	3.9
153.12794	2.9
155.03415	1.7
155.08559	6.7
157.06461	9.8
157.10146	9.9
158.07253	2.9
159.04407	5.9
159.08038	10.9
159.11694	3.8
160.05214	4.9
161.05946	22.3
161.09621	5.9
163.03963	4.4
163.07562	3.3
163.11142	12.9
165.05545	2.0
165.06985	2.2
165.12654	1.7
167.08574	6.0
169.06413	3.5
169.10121	4.9
171.04417	4.0
171.08067	12.0
171.11623	3.3
173.05946	32.9
173.09601	6.6
174.06717	10.4
175.03850	2.9
175.07512	9.4
175.11162	8.0
177.05498	4.9
181.06429	4.8
181.10165	3.7
181.12280	4.3
183.08015	6.6
183.11682	3.2
185.05977	6.8
185.09581	5.1
185.13219	2.1
186.06749	4.5
187.07506	18.0
187.11066	2.0
189.05432	27.3
189.09200	2.8
189.11211	7.9
189.12714	2.3
191.10643	4.0
193.10246	3.3
193.12222	21.5
195.08066	3.5
197.05882	3.4
197.09639	4.8
197.13335	2.1
199.07533	6.0
199.14934	1.9
200.08238	3.6
201.05452	4.2
201.09029	2.0
203.07031	3.9
203.10727	3.2
205.12146	2.8
209.09586	3.4
209.13283	2.9
211.07574	5.4
211.11366	2.1
211.13223	24.9
213.05475	2.1
213.09097	3.5
213.12569	2.4
215.07034	5.5
219.11647	2.1
219.13669	1.9
223.11201	2.1
227.12491	9.8
231.13733	1.8
237.12749	4.3
241.12215	2.2
243.13730	2.5
247.13235	1.9
255.13686	10.0
257.15393	6.9
265.12332	3.0
267.10089	3.9
267.16003	8.2
271.13354	2.1
273.14767	20.7
277.09067	1.9
283.13098	11.6
285.14737	13.1
285.17514	13.6
287.16580	2.1
289.14334	6.8
295.16895	2.9
297.14722	2.3
299.16470	2.5
301.14261	77.1
302.14859	2.3
303.16040	5.4
313.14572	3.2
313.18185	5.0
315.15863	7.1
319.15344	9.6
323.16391	6.4
325.14426	4.0
331.15207	2.0
339.15811	2.9
341.17514	19.6
343.15402	19.7
345.16849	1.9
357.17020	4.2
359.18600	5.1
361.16589	3.1
375.17941	18.7
385.23868	2.1
393.18915	5.0
399.17990	2.9
417.18988	3.2
433.24585	1.7
447.25519	2.6
463.24789	2.0
465.26016	2.2
475.25195	3.8
483.27216	2.1
493.25644	10.1
511.26950	14.7
512.27515	3.0
525.28497	4.2
529.27869	3.4
539.30493	4.5
543.29456	31.0
549.28076	3.6
555.29443	5.5
557.30975	4.1
567.29431	28.3
573.30359	20.9
585.30481	100.0
586.31085	4.1
603.31482	88.1
604.31885	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	603.3151
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03936	7.7
55.01863	13.3
55.05500	35.5
57.03426	11.5
57.07058	1.2
67.05492	43.1
68.99789	1.6
69.03410	7.3
69.07053	12.2
70.45956	3.9
70.46312	1.9
71.01342	1.6
71.04977	6.5
71.84995	1.0
75.04471	1.1
77.03880	1.3
77.95838	1.0
79.05006	1.7
79.05479	45.2
81.03402	77.9
81.07042	43.6
81.07532	2.0
83.04967	19.0
83.08604	24.9
85.02889	32.9
85.03381	2.2
85.06520	2.8
87.04461	1.8
91.05463	57.5
93.03421	1.6
93.07030	30.2
95.01312	1.9
95.04951	58.4
95.08593	20.0
96.05321	1.0
97.02332	1.3
97.02867	6.9
97.06522	8.3
97.10146	16.1
99.04465	1.9
99.08070	2.0
103.03942	1.2
103.05434	7.4
105.03420	2.6
105.07014	38.8
107.04950	21.3
107.08573	20.0
109.02859	22.4
109.06502	10.5
109.10129	5.9
111.04424	15.9
111.08070	9.1
113.06001	2.9
115.05434	9.9
116.06255	1.6
117.06229	2.0
117.06991	16.9
117.70889	1.1
119.04936	6.8
119.08556	26.5
121.02849	10.1
121.06496	14.2
121.10121	13.9
123.04422	7.7
123.08042	5.9
123.11682	3.3
125.02338	2.5
125.05983	1.4
125.09604	10.1
127.03909	2.0
128.06183	5.6
129.06978	19.8
131.04922	17.9
131.08534	20.4
132.05728	1.2
133.06464	14.3
133.10097	12.3
135.04408	4.0
135.08008	6.9
135.11667	9.2
137.02312	5.9
137.05960	4.9
137.09648	1.4
139.03865	1.4
141.07018	5.3
142.07738	2.5
143.04878	1.4
143.08537	8.7
144.05699	3.4
145.06462	22.6
145.10100	9.9
147.04385	12.6
147.08015	12.3
147.11636	13.9
149.05956	8.0
149.09581	8.3
149.13376	1.1
151.03882	1.7
153.06975	2.5
153.09103	1.6
153.12740	3.8
155.08537	6.9
157.06512	10.2
157.10101	15.2
158.07233	1.5
159.04427	2.4
159.08072	9.5
159.11711	1.7
160.05159	7.8
161.05957	24.8
161.09564	6.6
162.06421	1.5
163.03899	1.8
163.07539	2.5
163.11136	11.7
165.05493	2.2
165.06937	2.2
165.12782	2.6
167.08549	4.8
169.06458	3.4
169.10165	2.8
171.04413	3.2
171.08020	9.9
171.11703	2.9
173.05952	32.6
173.09572	6.2
173.13255	1.5
174.06720	7.9
175.03932	4.4
175.07573	6.2
175.11151	12.7
177.05392	1.4
177.12770	1.3
178.07764	1.2
179.08534	1.6
181.06487	2.6
181.10124	3.2
181.12210	4.0
183.06606	1.3
183.07948	6.1
183.11679	3.4
185.05983	4.2
185.09613	4.8
185.13348	1.9
186.06767	2.9
187.07497	16.3
187.11180	1.9
189.05432	29.6
189.09117	3.7
189.11198	6.1
189.12704	2.0
190.06119	2.7
191.06981	2.3
191.10678	6.1
193.10425	1.8
193.12202	32.9
194.12637	1.0
195.08005	2.2
195.11732	3.9
196.08713	1.1
197.09602	2.8
197.13138	1.1
199.07542	5.1
199.11139	2.1
199.14925	1.6
200.08328	2.4
201.05394	2.7
201.09119	3.6
201.12817	1.8
203.07033	3.1
203.10652	2.3
205.12195	1.8
207.13788	1.2
209.09677	2.3
209.11499	1.2
209.13275	2.5
211.07553	1.7
211.11263	2.5
211.13234	37.8
212.13593	1.0
213.09100	2.9
213.12729	3.0
215.06987	1.1
219.11778	1.4
221.09598	1.7
222.58960	1.1
223.11195	1.7
227.10640	1.7
227.12544	7.8
227.14595	1.3
229.12234	2.3
231.13892	1.6
237.12782	3.1
239.10689	1.7
241.12173	2.5
243.13814	3.7
245.15485	2.5
255.13795	9.7
257.15350	6.9
259.13272	1.7
261.14893	1.4
265.12076	1.5
267.15945	8.5
271.13339	3.7
271.16782	1.4
273.14832	27.6
274.15311	1.6
283.13022	15.0
285.14725	10.5
285.17429	17.1
289.14255	8.4
291.15869	2.5
297.14679	1.7
301.14249	89.9
302.14685	4.0
303.15912	5.8
315.15744	1.6
319.15298	14.1
320.15802	1.3
323.16385	2.5
329.17557	1.3
331.15305	1.8
339.16025	2.2
341.17487	5.1
343.15466	1.2
345.17102	2.9
357.16925	5.7
359.18524	3.7
365.73538	1.1
367.22842	1.2
375.17926	26.2
385.23795	2.2
393.18942	9.0
403.25070	1.1
447.25140	2.1
459.27286	4.2
465.68188	1.4
475.24524	2.5
477.28387	5.0
493.25778	6.3
501.27817	1.1
511.26877	4.2
513.28705	1.2
525.28827	1.3
527.29645	1.9
529.27844	2.5
539.30151	2.9
543.29816	2.0
549.28583	1.4
555.29492	3.3
557.31122	4.4
567.29596	11.7
573.30426	24.3
574.30621	2.2
585.30505	87.6
586.30750	8.5
603.31543	100.0
604.32007	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	603.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55783	0.3
55.05453	0.8
56.05018	1.6
57.03392	0.4
57.07063	2.5
61.03626	0.3
67.05437	1.3
68.05018	2.9
69.07025	0.5
71.08611	3.5
73.29805	0.3
79.05424	0.8
81.07031	2.9
84.04488	13.1
85.02870	1.6
85.10184	1.5
86.07763	0.3
93.06988	0.3
94.02869	0.6
95.08594	3.8
96.04405	1.3
96.60917	0.3
97.02824	1.0
102.05522	5.7
105.06961	0.5
107.08553	0.4
112.03937	1.8
114.05515	1.9
114.06152	0.5
130.04971	2.4
138.05466	0.4
140.03339	0.8
155.14200	0.4
158.04376	0.4
174.63533	0.3
176.47266	0.3
193.08804	1.1
204.08128	0.6
221.08263	1.4
229.97902	0.3
232.07542	0.5
233.08223	0.4
244.07784	0.4
248.06926	0.3
249.07816	13.8
250.08423	1.4
259.06186	0.8
260.07059	3.3
261.07785	2.4
262.08502	0.9
264.10223	0.6
266.07883	0.5
272.06918	0.4
273.07700	0.7
275.08133	1.0
276.06287	0.7
277.07288	66.9
278.07727	3.6
287.05627	1.3
288.06491	20.1
289.07245	11.4
290.07895	2.0
291.08820	0.6
292.09613	76.9
293.09940	3.5
294.07648	0.4
300.09171	0.6
301.07132	2.5
301.09866	0.4
302.07587	1.2
303.04733	0.5
303.07791	2.4
304.09637	14.2
305.09869	1.4
313.07111	0.5
314.07901	0.5
316.09595	1.1
317.09280	0.6
318.10251	0.4
319.10825	0.8
320.09052	3.9
324.12317	0.4
325.09445	0.6
326.10455	0.4
327.11301	0.4
329.09393	0.4
331.10690	1.6
339.14935	0.4
340.11780	1.1
341.12753	1.2
342.10406	0.5
343.10764	0.7
355.10645	0.7
356.07922	0.4
357.08578	0.9
362.10223	0.4
371.10318	0.7
372.10977	0.8
372.73352	0.3
373.11755	0.7
375.09775	1.1
385.11774	0.4
387.13339	0.6
389.11237	0.7
390.12146	1.1
403.12903	1.0
405.14566	0.8
416.09879	0.4
431.12350	7.4
432.12567	0.5
442.16092	0.4
446.23178	3.7
449.13358	100.0
450.13681	4.3
456.21786	1.0
491.66534	0.4
603.27063	24.9
604.27368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76768	0.4
53.37152	0.4
55.05473	0.5
57.07007	1.2
67.05452	0.8
69.07036	0.9
71.08573	0.9
71.38762	0.8
72.08103	0.4
79.05422	0.5
79.25978	0.4
81.07006	0.6
87.04448	22.2
93.06971	0.4
93.78648	0.4
94.14267	0.4
95.08538	1.1
103.90549	0.4
118.06496	0.9
122.05946	1.8
134.05920	0.7
136.07515	0.7
148.07498	1.6
150.05449	2.3
160.07498	0.8
164.07027	3.1
192.10030	0.6
208.09604	3.0
250.10704	1.1
258.18451	2.5
260.20154	0.5
276.19547	33.7
277.19952	0.5
278.13882	0.8
278.21042	0.9
320.22079	0.7
321.22754	0.6
332.25656	0.6
346.23776	0.8
348.21500	0.7
349.22357	0.7
362.23169	55.2
363.23581	0.6
372.32590	3.0
388.31897	2.9
390.33658	8.4
404.27722	0.6
418.29504	1.2
432.34705	2.7
448.37979	2.3
458.36203	0.9
474.36087	1.9
475.36603	1.3
476.37241	10.2
499.44550	0.7
516.47302	0.5
600.49286	0.6
602.51318	100.0
603.51428	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01857	2.6
55.05505	25.3
56.50932	2.0
57.07048	9.6
65.03923	5.3
67.05495	28.0
69.03393	7.4
69.07049	18.5
71.04987	5.9
71.82145	3.4
79.05482	30.8
79.81301	2.2
80.06268	2.2
81.03416	4.2
81.06590	3.4
81.07041	46.0
83.04955	7.4
83.08598	36.8
85.06536	4.9
85.84028	2.3
91.05463	41.6
93.07027	55.8
93.76135	2.3
95.04942	22.2
95.08585	37.8
97.06508	16.4
99.04426	5.3
103.05429	2.5
105.07011	83.3
107.04948	4.1
107.08571	58.5
109.06477	10.5
109.10130	20.8
111.04427	3.0
111.08046	5.5
113.09640	6.7
117.06989	24.4
119.08562	100.0
120.09383	3.9
121.06435	5.8
121.10125	42.1
123.08041	14.1
123.11655	9.3
125.09617	8.7
128.06201	10.0
129.06981	18.1
130.07750	7.2
131.08551	46.7
132.09296	7.7
133.10103	59.3
134.10680	2.6
135.07990	6.6
135.11679	16.4
137.09595	5.7
139.11156	9.6
141.06941	5.7
142.07738	15.0
143.08542	39.3
144.09320	12.9
145.06419	5.7
145.10104	74.7
146.10742	2.8
147.08046	4.7
147.11661	26.1
149.09610	6.7
149.13268	4.4
151.07521	2.3
154.07828	3.1
155.08586	15.7
155.10622	7.3
156.09325	16.8
157.10098	48.4
158.10837	10.3
159.08047	4.5
159.11659	39.8
160.08815	18.7
160.12381	3.8
161.09599	5.8
161.13240	7.1
163.11156	5.6
163.14827	2.7
165.06947	5.0
167.08560	6.4
167.10657	10.1
168.09373	3.4
169.10132	21.1
170.10846	8.7
171.10178	5.5
171.11646	32.9
172.12396	4.1
173.09546	3.4
173.13229	27.1
175.11055	4.6
175.14801	20.7
179.08533	8.9
180.09236	5.1
181.10210	12.4
181.12207	23.7
182.10863	9.4
183.11653	19.2
183.13649	4.9
184.12337	4.4
185.13211	20.9
186.13982	4.4
187.14766	13.3
189.16232	3.6
191.14267	7.0
192.09251	2.8
193.10054	8.2
194.10872	7.9
195.11656	19.3
196.12453	9.3
197.13252	27.8
199.11119	2.7
199.14841	8.5
201.16342	5.7
207.11797	11.6
207.13550	3.6
208.12450	6.2
209.13246	23.8
210.14012	6.4
211.14748	15.2
212.15369	3.5
213.12711	3.0
213.16318	10.8
217.15878	3.4
221.13222	7.9
221.15363	14.0
222.14021	3.3
223.14778	8.6
225.14740	32.7
233.13248	4.6
233.15282	18.4
235.14854	6.7
237.16267	6.4
239.17979	3.2
241.19403	5.4
247.14619	2.9
249.16339	7.0
253.19229	3.1
255.17389	3.6
257.18793	3.8
259.20502	8.8
259.31491	2.6
260.17657	2.6
261.16315	3.3
263.17905	3.3
265.19223	3.3
269.18759	2.9
272.21240	4.7
277.19272	2.8
283.20679	2.3
286.19254	8.0
291.21042	3.0
299.20059	7.2
312.20886	3.9
335.25595	3.3
349.25201	3.0
351.26782	14.9
398.28580	3.2
441.31604	2.7
446.31567	2.7
492.35327	4.3
510.37073	9.0
543.36792	2.9
584.41742	6.1
602.42969	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28674	0.1
51.38161	0.1
52.38595	0.1
53.03899	0.2
53.71366	0.1
67.05476	0.2
68.04803	0.1
69.03385	0.4
69.92695	0.5
69.93126	0.3
71.04964	0.1
73.02823	0.1
79.05451	0.2
81.03407	0.8
81.07003	0.2
82.03716	0.2
83.04922	0.3
85.02891	0.6
91.05434	0.2
93.07009	0.1
95.04939	0.2
97.02854	0.3
98.20797	0.1
99.04433	0.7
103.03870	0.3
105.06969	0.3
107.08550	0.1
109.02866	1.5
109.40268	0.1
113.09705	0.1
121.02805	0.2
127.03143	0.1
127.03893	1.3
131.04869	0.1
145.04886	0.2
193.08527	0.4
196.05078	0.1
221.91925	0.1
235.06271	1.1
236.06938	0.2
238.04886	0.2
239.05705	0.2
242.76482	0.1
251.05711	0.5
252.06517	9.0
253.06926	0.6
263.05695	0.4
264.06476	0.8
265.07217	0.2
266.04440	1.2
267.05209	4.1
268.05817	0.3
268.09595	0.3
278.04395	0.3
278.07816	0.1
280.05997	29.5
281.06714	7.1
282.07150	0.2
295.08475	0.1
296.09125	100.0
297.09445	3.8
338.10278	0.2
341.14935	0.2
404.11298	0.3
458.14371	2.5
460.28027	0.3
461.27933	0.6
540.18512	2.9
541.18854	0.2
542.15930	0.1
566.16528	3.1
584.17542	3.3
602.18610	4.0
603.18457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01852	0.8
55.05505	5.5
57.07064	7.8
59.04976	2.7
62.56623	0.8
65.03932	1.4
67.05495	12.0
69.03426	6.4
69.07059	5.1
71.07287	2.4
73.24503	0.8
79.05484	11.9
81.03413	1.8
81.07039	15.4
83.04956	3.5
83.08602	2.8
85.06526	4.1
89.58429	1.1
91.05463	19.4
93.07029	29.2
94.77076	0.9
95.04952	7.2
95.08591	19.3
96.08936	1.4
96.37202	0.8
97.06520	3.4
103.05471	1.6
105.07018	33.6
106.07306	2.1
107.08577	19.5
108.08905	1.0
109.06508	9.4
109.10152	8.0
111.04386	0.9
111.08093	1.5
115.05453	1.9
117.07007	8.4
119.08568	39.6
120.08891	1.9
121.06524	5.4
121.10126	18.2
122.10445	1.7
123.07229	1.2
123.08062	15.2
123.11668	3.4
123.12553	1.0
125.05978	5.9
128.06226	4.0
129.07002	4.6
130.07797	3.0
131.08551	14.3
132.09297	1.0
133.06493	1.5
133.10112	16.9
134.10432	2.4
135.08051	11.7
135.11681	6.2
136.08388	1.0
137.05945	1.4
137.09608	13.9
138.09946	1.1
139.07498	1.5
139.11163	1.1
141.06998	2.6
142.07777	5.8
143.08542	12.7
144.09238	3.6
145.10115	27.0
146.10464	3.0
147.08029	24.0
147.11652	6.5
148.08421	1.4
149.09593	5.9
150.10329	1.1
151.07532	10.5
154.07713	1.1
155.08539	5.7
156.09369	4.8
157.10103	17.0
158.10716	3.1
159.08063	2.3
159.11676	16.7
160.12108	2.1
161.09576	5.6
161.13249	6.7
163.11179	9.6
163.14798	0.9
164.11543	1.9
165.09096	45.1
166.09444	3.7
167.08638	1.9
168.09355	1.9
169.10121	5.6
170.10841	2.5
171.11647	11.1
172.12408	1.9
173.09587	3.5
173.13242	4.0
175.11189	6.7
175.14795	5.2
176.11641	1.2
177.09094	1.3
177.12791	1.3
179.08553	2.5
179.10614	1.0
180.09311	1.0
181.10243	5.1
181.12173	8.7
182.10869	3.0
182.12511	1.5
183.11656	7.5
184.12207	1.7
185.09488	1.0
185.13255	7.7
187.11200	3.5
187.14854	4.1
189.12730	3.3
190.13457	1.2
191.14221	3.1
192.09380	1.4
193.10136	3.0
193.12274	3.3
194.10858	2.1
195.11697	5.7
195.13524	1.3
196.12404	1.3
197.09645	1.0
197.13203	6.5
198.13707	1.1
199.11127	2.7
199.14818	3.2
201.12830	3.0
201.16367	1.3
203.10542	1.1
203.14285	16.2
204.14684	3.0
206.10828	1.1
207.11714	3.6
207.13808	5.8
208.12262	1.6
208.14482	2.0
209.13248	6.6
209.15334	2.5
210.13812	1.9
211.14844	5.3
212.15450	1.2
213.12787	1.3
213.16214	1.7
215.14302	1.4
219.11777	1.3
219.13693	2.0
220.12431	1.2
221.13342	3.9
221.15329	100.0
222.15680	10.0
223.14803	2.7
225.12749	1.7
225.16313	1.7
227.14268	1.3
233.13290	1.1
233.15431	1.6
234.13806	1.5
234.16071	3.6
235.14656	2.1
235.16742	1.9
237.16449	1.3
239.17812	1.5
247.16945	6.5
248.17352	2.8
249.16382	1.4
251.17892	1.9
253.15852	1.1
260.17416	1.0
261.16229	1.5
265.19464	2.0
271.17062	1.7
273.18576	1.2
274.19336	1.8
275.19809	1.5
281.19009	1.4
283.20551	1.2
286.19284	1.9
287.19995	6.5
288.20261	1.6
295.20581	1.5
299.19958	5.7
300.20544	4.0
301.21591	3.9
312.20596	1.9
313.21457	2.9
325.21445	2.2
326.22058	2.3
329.22885	1.0
332.20441	1.0
340.23846	3.2
341.24402	3.4
349.25098	1.0
351.23257	1.1
352.23843	4.4
353.24310	6.0
365.24829	1.7
366.25107	1.5
367.26337	5.4
375.26794	1.5
378.25351	1.0
393.27817	3.8
419.29922	1.2
420.29929	1.6
421.30948	1.6
426.27054	1.7
427.28397	2.6
428.28809	3.2
440.29422	5.6
441.29443	8.9
491.35019	9.0
503.35187	1.5
509.36050	3.7
520.35663	1.6
521.35962	11.8
565.40540	1.5
583.41302	13.0
601.42303	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
55.05496	13.4
57.07057	18.0
57.27843	2.6
59.04974	5.2
65.03936	2.7
67.05500	24.2
69.03419	17.4
69.07042	11.7
71.08604	3.6
71.57075	2.7
75.53044	2.2
77.03920	3.4
79.05480	25.1
81.07044	36.5
83.04981	17.8
83.08592	11.3
85.06526	7.1
86.04600	2.5
89.06000	4.1
91.05459	45.8
93.07024	65.5
95.04941	21.1
95.08592	28.8
97.06512	9.8
103.05472	4.3
105.07008	84.5
106.07838	3.4
107.04957	3.3
107.08578	55.4
109.06490	21.5
109.10150	19.2
111.08070	5.9
115.05430	4.0
117.06984	19.4
119.04885	6.0
119.08559	78.6
120.09346	5.4
121.06499	16.2
121.10120	48.8
123.08039	31.4
125.05962	11.2
125.09613	6.3
128.06219	10.6
129.06995	23.7
130.07751	11.3
131.08542	47.2
133.06468	9.1
133.08565	4.5
133.10110	36.9
135.08020	30.2
135.11678	14.2
137.05946	3.4
137.09587	25.9
139.07487	6.4
141.06963	9.1
142.07745	25.5
143.08534	46.9
144.09308	13.8
145.06482	3.8
145.10101	66.5
146.07228	4.7
147.08015	31.9
147.11623	18.8
149.09561	21.5
151.07518	15.5
154.07645	3.9
155.08548	19.0
156.09315	24.4
157.10095	77.8
158.10851	11.0
159.08028	12.0
159.11655	31.4
160.08752	4.0
161.09599	28.5
161.13211	10.7
163.07475	3.3
163.11154	21.5
164.17474	2.4
165.06999	5.3
165.09087	48.7
166.07838	3.4
167.08565	12.3
167.10667	10.4
168.09294	7.2
169.10117	21.3
170.10863	10.3
171.07962	4.3
171.11670	28.9
172.12448	6.5
173.09598	12.5
173.13226	18.5
174.10368	3.7
175.11162	24.0
175.14807	6.0
176.11913	3.3
177.09132	5.9
177.12758	6.3
179.08504	9.3
179.10675	3.6
180.09314	4.8
181.10103	16.5
181.12193	21.2
182.10844	7.7
183.11665	29.4
184.12407	5.5
185.09567	5.7
185.13219	23.7
186.10364	4.4
186.14026	3.7
187.11157	11.8
187.14821	4.8
189.12750	17.8
190.13448	11.5
191.10631	3.6
191.14268	4.1
193.10110	15.6
193.12222	11.2
194.10883	8.6
194.12724	3.5
195.11696	27.3
196.12392	8.9
197.09531	7.4
197.11717	4.7
197.13261	22.5
198.13913	4.0
199.11166	12.1
199.14777	7.3
200.11913	4.7
201.12726	10.7
203.14302	29.0
205.10130	5.1
205.12111	3.5
206.10884	5.1
207.11656	15.4
207.13762	24.2
208.12341	9.4
208.14526	9.8
209.13219	16.4
209.15353	8.4
210.13922	3.3
211.11166	10.0
211.14760	11.4
213.12741	9.3
213.16328	4.3
215.10684	4.5
215.14314	4.9
218.16542	3.8
219.11646	8.1
219.13782	8.7
220.12531	6.5
221.13235	13.0
221.15298	100.0
222.13838	4.6
222.15768	5.8
223.11110	4.0
223.14799	9.3
225.12834	15.2
225.16379	10.4
227.14206	5.3
229.12341	3.4
229.15878	6.1
231.11629	5.4
233.13208	9.2
233.15337	19.8
234.16064	15.7
235.14745	12.0
235.16853	6.2
236.15396	2.9
237.12630	5.5
237.14600	34.9
237.16890	4.4
239.14304	7.2
241.15793	4.6
243.11722	3.0
244.12447	3.3
245.13120	4.8
247.14752	6.9
247.16928	9.0
248.14052	8.6
249.16336	8.6
251.14041	4.9
251.17926	4.6
253.15834	8.9
255.17412	22.5
259.14572	4.4
259.17029	7.2
261.16360	4.7
263.18002	5.2
265.16055	5.1
265.19327	3.8
267.17340	3.9
268.18112	5.3
269.15329	3.2
269.18759	4.3
270.19745	7.1
271.16895	11.5
274.19226	9.6
275.17911	3.5
276.18692	3.6
279.17303	7.8
281.18991	6.5
283.17017	3.4
285.18417	7.6
286.19360	20.1
287.19983	8.4
289.19504	3.5
294.19681	6.2
295.20364	4.4
297.18469	7.9
299.20187	16.0
303.19473	49.3
307.20480	4.6
311.20117	7.3
312.20776	7.9
313.21671	19.7
319.20544	3.6
325.21567	39.9
326.21942	3.2
337.21646	9.0
347.23618	5.1
352.23920	80.9
353.24304	4.3
364.23740	3.6
365.24759	44.5
377.24716	8.1
383.25702	9.2
391.26172	3.3
454.30246	3.1
487.32114	3.0
502.34195	10.8
503.34802	4.2
505.32962	5.3
507.34705	41.9
508.35126	5.1
520.35437	45.8
567.37836	4.0
582.40540	7.8
583.41473	5.0
585.39270	6.5
600.41382	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	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.6
55.01860	2.7
55.05498	20.1
57.07070	12.9
59.04977	3.4
65.03923	5.6
67.05494	35.5
69.03410	10.8
69.07053	18.9
71.04965	6.0
71.08595	4.2
71.79472	2.6
73.06501	2.6
77.03906	1.9
79.05478	32.7
80.32053	1.7
81.03401	3.0
81.06583	3.7
81.07037	47.9
83.04960	18.1
83.08205	1.8
83.08611	14.8
85.06519	7.5
85.10154	3.4
87.04440	6.4
89.06019	22.7
91.05463	44.3
93.07025	63.5
95.04949	25.0
95.08593	37.6
97.06507	13.6
99.08098	2.2
103.05448	3.4
105.07010	100.0
106.07264	2.4
107.04942	4.6
107.08571	63.2
109.06503	20.5
109.10141	32.9
111.08069	7.2
113.09644	4.7
115.05442	7.0
116.06269	2.5
117.07000	26.4
119.08561	85.4
120.09393	2.1
121.02843	4.1
121.06490	10.9
121.10123	58.9
123.08044	29.9
123.11668	6.6
125.05952	3.5
125.09605	16.7
128.06200	19.1
129.06975	22.8
130.07758	10.1
131.07025	2.0
131.08546	50.3
132.09288	4.2
133.06464	5.4
133.08623	12.3
133.10106	53.4
134.10516	2.0
135.08020	20.1
135.11697	15.3
137.09605	14.2
139.11111	5.7
141.06953	8.5
142.07779	28.2
143.08536	51.1
144.09357	12.7
145.06456	5.6
145.10100	72.0
146.10869	2.5
147.08017	19.1
147.11662	23.8
148.08748	2.0
149.09587	17.4
149.13232	4.0
151.07532	11.1
151.11108	4.1
153.06969	4.1
153.09149	3.9
153.12752	2.5
154.07739	3.0
155.08546	23.5
155.10579	12.9
156.09331	22.4
157.10094	70.0
158.07196	3.5
158.10820	8.8
159.08025	20.7
159.11664	47.1
160.08788	6.9
160.12413	1.8
161.09560	15.3
161.13246	10.6
162.34521	2.3
163.11128	11.6
165.06946	8.1
165.09085	12.8
166.07668	3.4
167.08575	13.8
167.10638	20.2
168.09320	10.8
169.10095	31.2
170.10890	12.6
171.08049	4.2
171.10330	3.4
171.11670	47.4
172.08823	3.3
172.12309	4.5
173.09550	14.7
173.13200	22.1
175.11154	20.4
175.14809	7.5
177.11205	7.4
177.12631	3.8
179.08514	14.7
179.10489	2.3
180.09221	7.7
181.10094	21.2
181.12135	5.8
182.10904	9.5
183.08131	2.5
183.11641	32.4
184.12312	6.7
185.09566	8.7
185.13232	24.2
186.13939	6.7
187.11157	7.9
187.14758	12.5
187.52138	2.1
189.12695	7.7
190.13513	5.0
191.14204	4.5
192.09206	4.3
193.10091	16.5
193.12036	3.8
194.10858	9.2
195.08014	2.8
195.11658	32.2
196.12415	9.0
197.09645	4.6
197.13220	31.6
198.13921	5.7
199.11096	10.0
199.14784	13.2
201.12718	9.0
201.16321	4.5
203.14278	16.3
205.10158	4.1
206.10902	6.3
207.11639	18.6
207.13759	5.2
208.12444	10.0
209.09584	3.2
209.13222	29.4
209.15178	3.9
210.10393	2.4
210.13911	5.7
211.11220	6.3
211.14777	23.8
212.15443	3.9
213.12672	14.2
213.16325	5.7
215.14334	10.9
216.09315	2.7
217.10172	3.4
217.15915	5.4
218.10823	4.0
218.16670	3.8
219.11617	5.1
219.13722	3.1
220.12483	6.2
221.13240	16.3
221.15326	26.1
222.13857	4.9
222.15726	3.7
223.11232	2.7
223.14784	16.2
224.15428	4.2
225.12683	6.0
225.16336	7.1
227.14241	8.6
227.17729	2.9
229.15794	5.4
230.10696	2.4
231.11649	4.9
231.17258	2.9
232.12411	3.7
233.13144	7.5
233.15308	28.6
234.14044	4.9
234.16046	10.6
235.14832	12.5
237.12680	3.6
237.16431	15.3
239.14192	5.3
239.17882	5.6
241.15796	4.7
241.19440	2.8
245.13255	5.0
245.15459	2.9
246.13892	4.3
246.16187	2.8
247.14713	7.2
247.16978	4.0
248.15451	2.4
249.16322	7.6
251.17918	7.0
253.15797	4.7
253.19547	2.9
255.17395	32.4
259.14716	6.3
260.15558	3.5
261.16351	7.6
263.17831	8.9
264.18509	2.8
265.19470	5.9
266.95355	2.3
267.17319	4.4
268.18073	5.1
269.18927	6.8
270.19684	11.3
271.14508	2.4
271.17181	3.1
271.20447	2.3
273.15918	2.3
273.18457	7.2
275.17773	4.4
277.19339	3.2
279.17413	3.4
281.18927	9.6
282.19666	2.7
283.20337	3.1
285.18411	6.2
286.19186	4.5
287.20154	4.5
289.19391	3.9
295.20544	6.1
297.18692	3.7
299.20135	9.3
300.20837	2.5
307.20493	2.9
313.21704	2.6
315.21085	3.0
317.22479	2.2
325.21722	3.5
345.21899	3.0
347.23572	3.1
348.24167	3.3
352.23929	2.8
360.24277	3.2
365.24670	7.2
383.25647	8.8
415.25180	7.9
508.34753	3.9
520.34900	3.2
567.38214	3.9
582.40173	7.7
583.40814	2.4
600.41040	30.4
601.41211	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	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
53.22083	1.5
53.72707	1.4
55.05499	6.6
57.07067	13.5
59.04980	4.4
65.03910	1.5
67.05485	13.7
69.03410	7.7
69.07056	6.3
70.06567	3.4
71.03857	2.1
71.04229	4.1
71.08607	3.3
79.05477	10.2
81.07039	19.0
82.16121	1.5
83.04955	4.1
83.08591	3.2
84.08943	1.3
85.06521	4.2
89.06013	7.4
91.05461	22.5
93.07034	27.8
94.78581	1.4
95.04939	10.8
95.08598	21.2
97.06532	5.4
105.07016	35.3
107.08576	20.6
109.06505	11.6
109.10132	6.1
111.08064	1.7
116.06242	2.1
117.06998	8.5
119.08568	48.6
120.08863	1.8
121.06510	7.3
121.10134	19.1
122.07309	2.0
123.08056	14.5
123.11710	1.7
125.05949	11.1
128.06207	3.3
129.06992	7.9
130.07768	3.3
131.08557	21.3
133.06488	4.2
133.08597	3.8
133.10123	19.4
135.08044	18.2
135.11699	7.7
137.05959	3.2
137.09590	11.5
141.07016	3.0
142.07791	7.7
143.08527	18.2
144.09311	3.7
145.06506	2.4
145.10110	32.9
146.10529	2.2
147.08023	28.2
147.11630	5.6
149.09560	10.4
151.07530	9.7
151.11183	2.1
155.08554	7.3
156.09300	7.4
157.10092	30.3
158.10880	4.1
159.08025	6.7
159.11667	19.1
160.08716	2.5
160.12260	1.4
161.09590	7.9
161.13245	7.1
162.10236	1.5
163.07484	1.7
163.11180	14.8
165.07027	2.7
165.09100	44.3
166.09300	3.2
167.08606	2.4
168.09317	3.4
169.10118	10.6
170.10851	2.6
171.11674	13.5
172.12408	3.0
173.09592	8.6
173.13211	7.2
175.11182	18.3
175.14764	2.2
177.09045	3.5
177.11308	2.5
177.12718	2.6
179.08508	1.9
179.10635	2.5
181.10081	5.3
181.12260	18.1
182.10907	1.8
183.11717	12.9
184.12370	3.1
185.09543	2.5
185.13249	8.9
187.11185	6.6
187.14714	1.9
189.12733	6.3
190.13492	6.5
191.10664	4.5
193.10344	2.5
193.12233	8.8
194.10869	2.2
195.11696	8.2
195.13387	1.9
196.12305	2.2
197.09596	2.0
197.13225	7.8
199.11203	6.1
199.14749	3.1
201.12724	4.7
202.13225	1.6
203.14265	16.2
204.14676	2.0
207.11655	4.4
207.13774	9.4
208.12700	2.0
208.14546	8.3
209.09882	2.0
209.13229	6.5
209.15146	1.8
210.13924	1.9
211.11215	2.9
211.14757	6.0
212.15671	1.9
213.12680	3.7
213.16348	2.3
215.14322	2.1
216.15128	2.2
219.11794	2.2
219.13811	5.2
220.12370	1.8
221.13316	5.7
221.15323	100.0
222.14050	1.4
222.15764	11.7
223.14764	3.8
224.15480	2.6
225.12691	4.6
225.16342	2.8
227.14233	1.7
229.15936	2.1
231.13763	1.6
233.13101	1.8
233.15280	3.6
234.16107	16.0
235.14742	2.3
237.12723	2.4
237.16386	2.9
241.15800	2.8
247.14699	2.4
247.16905	25.9
248.17415	4.8
253.15938	1.6
255.13721	2.7
259.16925	4.0
265.15738	1.9
271.16858	2.8
273.18500	2.0
274.19312	11.4
279.17352	2.8
281.18961	2.9
283.26331	7.6
286.19275	3.2
287.20105	12.4
299.20032	16.2
300.20599	5.3
300.28906	2.3
310.19055	1.7
311.20013	5.1
312.20847	8.2
313.21533	7.0
325.21686	14.6
327.23288	2.0
329.14398	1.8
337.21512	4.5
339.23221	5.7
340.23962	13.0
344.31540	1.9
351.23279	2.5
352.23892	23.8
353.24319	1.7
365.24704	6.5
366.25452	3.7
367.26440	2.0
377.24319	1.8
379.26172	4.6
387.25153	4.4
388.79880	1.6
391.26419	3.7
392.26697	4.1
400.25989	3.7
413.26843	6.5
415.24963	2.0
419.29248	6.4
420.30032	4.4
425.26721	5.7
426.27451	4.9
427.28336	14.2
440.29163	46.4
454.30338	1.9
491.35028	1.7
494.33124	1.8
505.32739	1.7
507.34610	2.2
508.35089	6.6
509.36011	1.9
520.35413	37.2
521.35803	2.9
583.41321	2.6
585.39148	2.4
600.41284	39.8
600.56030	16.6
601.42224	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
55.05490	5.7
55.12186	1.2
57.07068	12.0
59.04981	3.5
65.03908	1.7
67.05493	14.4
68.22554	1.4
69.03409	4.7
69.07059	6.8
69.64054	6.9
69.64484	4.8
70.37843	1.2
71.04972	2.0
71.08613	3.2
74.08374	1.1
79.05470	17.5
81.06606	1.4
81.07046	21.5
83.04969	7.6
83.08611	2.7
84.89804	1.2
85.06528	6.4
89.06015	5.8
91.05469	25.7
92.06242	1.6
93.07027	33.6
95.04964	11.5
95.08591	22.1
97.06496	6.1
98.20679	2.6
103.05414	2.0
105.06322	2.2
105.07018	37.8
106.07864	2.0
107.04939	2.6
107.08587	19.5
109.06514	11.5
109.10160	7.9
111.08059	3.3
115.05420	2.2
117.06995	12.3
119.04929	1.6
119.08569	51.5
120.09375	2.6
121.06507	6.9
121.10126	19.0
123.08053	13.8
123.11722	2.8
125.05977	9.5
125.09616	1.9
128.06203	3.9
129.06953	8.9
130.07759	3.7
131.08546	23.2
132.09312	1.6
133.06470	4.4
133.08534	3.9
133.10114	20.0
134.10933	1.4
135.08043	16.7
135.11633	6.2
137.05980	2.3
137.09599	13.5
139.07547	2.6
141.06978	3.9
142.07756	8.8
143.08548	18.8
144.09300	5.4
145.06436	3.3
145.10098	35.7
147.08043	20.9
147.11647	7.9
148.08537	1.6
149.09583	9.5
151.07503	10.3
151.11127	2.0
153.06927	2.1
155.08557	9.8
156.09326	7.4
157.10123	28.5
158.10844	4.5
159.08083	7.9
159.11674	22.3
159.34503	1.3
160.08740	3.8
160.12273	2.6
161.09607	9.4
161.13234	7.3
163.07483	1.5
163.11162	17.8
163.14780	1.3
165.07019	2.5
165.09091	40.1
166.07776	1.3
166.09425	3.2
167.08546	4.5
168.09312	2.8
169.10103	10.2
170.10860	5.0
171.08040	1.6
171.11684	16.4
171.13068	2.2
172.08736	1.4
172.12378	4.0
173.09610	7.4
173.13237	8.5
175.11186	19.6
175.14827	4.2
177.09042	2.9
178.09758	1.6
179.08476	3.4
179.10684	1.7
180.11333	2.0
181.10115	7.2
181.12207	18.1
182.10878	4.0
183.11670	14.4
184.12288	3.2
185.09613	2.6
185.13228	10.4
186.13765	1.5
187.11122	7.2
187.14798	5.0
188.11858	1.7
189.12679	7.2
190.13426	7.9
191.10634	4.4
191.14282	2.4
193.10088	5.3
193.12209	11.1
194.10892	1.9
195.11635	10.0
195.13644	2.5
196.12407	4.7
197.09550	1.8
197.13228	10.4
198.13873	2.7
199.11151	6.2
199.14818	3.7
200.11981	1.7
201.12704	5.1
201.16486	1.7
203.14302	19.9
206.10782	1.9
207.11665	5.9
207.13773	10.2
208.12624	2.7
208.14520	8.0
209.13274	9.0
209.15045	2.3
210.13919	2.2
211.11183	3.5
211.14740	8.2
212.03299	1.4
212.15457	3.0
213.12769	3.8
215.14207	2.6
216.15112	1.6
217.12262	1.6
217.15691	1.5
219.11740	2.2
219.13759	8.5
221.15326	100.0
222.15764	7.5
223.11198	1.9
223.14757	4.4
224.11807	1.6
225.12646	3.8
225.16374	4.5
227.14259	2.8
229.15805	1.4
231.13763	3.2
233.13283	2.6
233.15393	5.2
234.13988	2.0
234.16090	20.8
235.14659	2.7
235.16785	1.7
237.12663	3.2
237.16438	2.7
239.14267	2.4
239.17873	1.7
241.15843	3.4
243.13806	2.2
245.15456	1.5
247.15010	1.7
247.16927	28.2
248.17479	3.6
249.16420	1.9
251.14252	2.3
251.17801	1.9
253.15758	2.7
255.17365	2.5
259.16891	4.3
260.17697	1.6
261.18512	2.8
265.15973	2.4
267.17480	2.3
269.15176	1.6
269.19070	1.8
271.16971	2.9
274.19260	14.7
277.03641	1.4
279.17328	2.9
281.18948	3.4
283.26315	2.2
285.18549	2.8
286.19296	3.9
287.20053	11.3
295.20422	2.2
297.18491	2.6
298.19080	2.4
299.20035	19.1
300.20734	4.6
307.20551	2.2
311.19922	4.0
312.20807	7.8
313.21573	7.9
323.20074	1.9
325.21524	16.9
326.22153	1.8
327.23026	2.3
334.68869	1.4
337.21506	4.8
339.23209	6.8
340.23886	18.4
351.23129	2.7
352.23886	30.9
365.24533	7.5
366.25174	4.0
377.24634	3.2
379.26157	5.0
387.25351	6.5
390.25186	1.9
391.26248	4.2
392.26743	4.1
400.25790	1.4
413.26791	5.2
415.25525	1.6
419.29449	10.9
420.30103	3.9
425.26608	8.1
426.27621	4.2
427.28415	16.2
428.28693	2.3
440.29214	50.8
441.29034	2.1
442.30615	3.6
454.30978	1.8
505.32852	2.2
507.34662	2.2
508.35199	6.6
520.35443	46.3
521.35681	5.5
582.40259	2.8
583.40814	1.8
585.39197	3.6
600.41376	35.6
601.42169	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	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01856	2.8
55.05502	15.7
57.07067	13.7
59.04985	4.4
65.03920	3.6
67.05488	27.9
69.03413	15.4
69.07059	15.5
71.04972	4.6
71.27914	2.0
71.28236	5.0
77.03925	2.2
79.05067	2.8
79.05479	32.8
81.07042	39.5
83.04962	20.6
83.08594	8.4
85.06524	7.5
85.09476	2.0
87.04457	2.4
91.05464	54.1
91.67741	1.8
93.07026	77.6
95.04960	24.7
95.08593	35.3
97.06509	12.8
99.08132	2.9
99.23470	2.3
103.05499	5.3
105.07010	100.0
106.07833	3.1
107.04947	4.9
107.08571	63.5
109.06503	23.8
109.10136	20.7
111.08098	5.8
113.09624	3.9
115.05456	4.9
116.06265	2.9
117.07009	24.8
118.07755	2.2
119.08558	83.5
120.09377	3.4
121.06499	19.2
121.10124	49.9
122.10699	2.1
123.08044	32.4
123.11665	6.3
125.05947	3.4
125.09613	10.3
128.06189	14.0
129.06996	26.6
130.07719	11.0
131.08554	49.9
132.09312	3.4
133.06458	8.7
133.10100	47.0
134.10562	2.0
135.08017	26.7
135.11667	11.5
136.08755	2.5
137.09578	17.6
138.09863	2.1
139.07570	3.6
139.11166	2.9
141.06923	10.7
142.07762	29.4
143.08537	57.9
144.09329	12.7
145.06436	4.5
145.10095	71.1
146.07196	2.7
147.08017	31.8
147.11693	23.4
149.09579	21.4
149.13191	3.3
151.07553	13.5
151.11115	2.3
153.06923	6.5
154.07753	3.4
155.08524	20.6
155.10626	6.9
156.09314	25.7
157.10101	81.5
158.10933	11.9
159.08022	21.4
159.11665	42.6
160.08821	6.3
160.12294	3.2
161.09592	22.7
161.13252	10.7
163.11176	14.7
165.06987	7.0
165.09082	37.3
166.07639	2.5
167.08553	11.1
167.10654	20.4
168.09303	8.1
169.10100	32.7
170.10921	15.1
171.08041	3.9
171.11659	41.9
172.08812	4.8
172.12405	6.2
173.09602	16.2
173.13223	23.5
174.10416	2.3
175.11180	25.7
175.14746	5.1
176.11768	2.9
177.09116	4.8
177.12706	4.7
179.08533	15.1
179.10609	3.2
179.14137	2.7
180.09296	6.8
181.10092	24.1
181.12160	8.6
182.10925	11.2
183.11690	26.2
184.08749	3.4
184.12303	3.9
185.09630	6.1
185.13219	26.1
186.10349	4.4
187.11108	12.3
187.14763	9.5
188.11830	3.7
189.12750	14.8
190.13467	8.4
191.08505	2.7
191.14336	7.3
192.09280	4.5
193.10130	19.4
193.12195	10.1
194.10884	11.7
195.11656	34.6
195.13516	3.2
196.12437	11.6
197.09581	4.7
197.11658	2.5
197.13242	26.3
198.13936	3.3
199.11157	10.9
199.14755	14.4
201.12617	11.1
203.10504	2.6
203.14270	28.6
205.10056	5.5
206.10858	8.7
207.11655	20.2
207.13759	11.9
208.12418	9.0
208.14526	8.5
209.13260	22.7
209.15169	5.1
210.10384	3.4
210.13942	7.9
211.11212	7.3
211.14842	19.2
213.12694	11.8
213.16353	7.5
214.13524	3.4
215.10556	2.5
215.14268	8.2
217.15854	3.0
218.10799	2.7
218.16597	4.9
219.11676	6.8
219.13727	4.5
220.12396	8.7
221.13211	13.7
221.15283	79.7
222.13881	3.6
222.15921	3.1
223.11215	4.9
223.14780	15.3
225.12718	9.2
225.16289	11.7
227.14236	7.7
229.12169	3.5
229.15921	3.2
231.11649	4.4
231.13770	3.0
232.12419	3.3
233.13222	11.2
233.15334	22.8
234.13956	4.6
234.16086	13.6
235.14734	11.9
236.15671	3.9
237.12544	5.0
237.14816	24.0
237.16786	5.3
239.14255	6.1
239.18062	2.6
240.14914	2.9
241.15886	5.2
245.13135	5.1
246.13931	5.8
246.16212	2.5
247.14688	5.5
247.16907	10.0
248.14056	7.6
249.16306	7.1
251.14055	2.9
253.15897	5.1
255.17403	30.4
258.13776	2.7
259.14667	6.2
259.17053	3.2
261.16287	10.9
263.18066	6.0
265.15790	3.2
265.19568	5.1
267.17371	4.4
269.18933	7.9
270.19717	8.1
271.16980	7.7
273.18497	6.5
274.19214	9.6
275.17926	3.2
277.19305	3.2
279.17285	5.2
281.18951	8.9
283.17172	3.2
283.20343	3.6
285.18457	7.9
286.19281	16.6
287.20090	7.9
289.19479	2.8
291.17603	2.5
291.20996	2.7
294.19751	3.0
295.20535	3.6
297.18448	4.7
299.20135	13.3
303.19479	41.4
307.20520	3.3
311.20105	2.7
312.20798	5.9
313.21768	11.1
318.15918	2.6
319.20343	3.8
325.21640	13.4
333.55219	2.3
337.21573	8.1
347.23465	4.7
352.23926	72.2
353.24313	2.6
359.23630	2.6
360.24246	2.8
365.24789	21.3
377.24753	4.4
383.25751	8.3
420.30148	3.3
502.34091	9.6
503.35144	5.7
507.34445	13.6
508.34857	7.6
520.35370	37.4
567.38055	3.1
582.39777	4.0
583.41156	3.6
591.64429	2.6
600.41388	28.9
625.90332	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	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01859	0.9
55.05496	5.5
57.07063	9.2
59.04983	1.8
63.75870	0.9
65.03921	1.0
67.05492	8.7
69.03413	5.8
69.07056	5.9
70.31197	1.3
70.31551	3.9
71.01306	0.9
71.04965	0.9
74.09698	3.3
78.61752	0.8
79.05476	10.2
81.07039	15.3
83.04977	5.7
83.08591	1.6
85.06514	3.7
89.06011	4.0
91.05457	18.4
92.06244	2.1
93.07022	25.6
95.04947	8.2
95.08583	16.1
97.06509	4.1
103.05418	1.6
105.07010	36.6
106.07810	1.7
106.93948	0.9
107.08569	18.4
109.06491	8.8
109.10130	7.0
111.04442	0.9
111.08052	1.8
115.05428	2.4
117.06999	9.2
119.04910	1.8
119.08557	47.3
120.09310	4.0
120.10130	1.2
121.06503	4.6
121.10114	19.9
122.07253	1.3
123.08047	13.5
123.11681	1.1
125.05943	10.4
125.09605	1.0
128.06210	2.3
129.06984	9.0
130.07744	3.2
131.08539	19.8
132.09302	1.8
133.06454	3.0
133.08543	2.8
133.10098	18.4
134.10899	1.4
135.08038	15.2
135.11650	7.6
137.05960	2.3
137.09596	11.9
139.07550	1.6
139.11179	1.1
141.06961	2.3
142.07750	6.4
143.08530	20.7
144.09351	4.3
145.06477	2.2
145.10094	31.6
146.10478	1.7
147.06837	1.4
147.08014	25.8
147.11690	6.4
148.08400	1.4
149.09583	10.2
151.07501	9.1
151.11172	1.3
153.07053	1.0
153.09033	1.1
154.07852	1.0
155.08521	7.0
156.09344	7.2
157.10098	30.5
158.10915	5.7
159.08055	6.2
159.11655	18.6
160.08818	3.4
160.12239	1.8
161.09604	10.8
161.13242	5.8
162.10109	1.0
163.11142	18.7
165.06996	1.8
165.09079	42.3
166.07782	1.9
166.09422	2.9
167.08562	3.8
168.09358	2.4
169.10120	12.5
170.10832	3.1
171.08087	1.6
171.11647	12.6
172.08852	1.3
172.12302	2.2
173.09622	6.6
173.13237	7.7
174.10365	1.8
175.11125	17.2
175.14676	2.1
176.11742	1.4
177.09117	3.4
177.12628	1.9
178.09859	2.3
179.08487	1.3
179.10600	2.4
180.09357	2.2
180.11440	3.2
181.10121	5.7
181.12206	16.6
182.10851	4.8
182.12439	0.9
183.08060	1.1
183.11649	10.9
184.12350	2.8
185.09579	3.0
185.13202	7.6
186.10423	1.5
186.13902	1.2
187.11223	4.2
187.14764	2.9
188.11867	1.3
189.12720	8.2
190.13510	7.7
191.10625	5.1
191.14227	1.8
192.09355	0.9
193.10146	3.9
193.12251	11.4
194.10854	2.4
195.11678	9.1
195.13622	1.9
196.12413	3.5
197.09631	2.5
197.13243	9.6
198.10394	1.0
198.13879	1.2
199.11122	5.0
199.14813	3.0
201.12682	5.9
203.14288	18.8
204.11394	0.9
204.14648	1.7
205.10255	1.5
205.12215	2.0
206.10892	1.4
207.11702	4.8
207.13814	8.8
208.12488	2.1
208.14546	8.8
209.09784	0.9
209.13240	7.0
209.15262	2.1
210.13879	1.9
211.11186	2.2
211.14778	8.9
212.11977	1.2
212.15431	2.6
213.12697	4.4
213.16260	2.1
215.10690	1.4
215.14323	2.7
216.15097	2.9
217.12238	1.5
219.11781	1.9
219.13785	6.8
220.12431	2.0
221.13333	3.9
221.15308	100.0
222.15694	8.0
223.11200	1.8
223.14809	3.7
225.12671	4.3
225.16377	3.5
226.13402	1.3
227.10724	1.0
227.14265	3.3
227.17847	1.4
229.12273	1.3
229.15898	2.7
231.13806	1.8
232.12320	1.0
233.13303	1.8
233.15413	4.0
234.13889	0.9
234.16093	20.2
235.14755	2.9
235.16895	1.3
237.12741	2.7
237.16412	2.9
238.13298	0.9
238.16956	0.9
239.14322	2.7
239.17838	1.8
240.15128	1.0
240.18704	0.9
241.15884	3.0
243.13795	1.8
245.15370	2.1
247.14709	1.4
247.16898	30.2
248.17485	2.9
248.20084	0.9
249.12546	1.4
249.16357	1.2
251.14302	1.6
251.17845	1.1
252.15024	1.5
253.15860	3.0
254.16708	1.1
255.13849	1.1
257.15359	2.0
259.16898	3.5
260.17694	2.0
261.18542	1.6
263.17935	1.1
265.16037	1.6
265.19376	1.2
267.17371	1.7
269.15378	2.2
271.16937	3.7
273.15945	1.1
273.18744	1.6
274.19241	13.3
277.16006	0.9
279.17496	1.5
281.18942	2.5
283.16855	1.7
285.18521	2.9
286.19238	5.0
287.20001	11.5
293.18896	1.0
297.18466	2.8
298.19217	1.9
299.19986	18.2
300.20660	3.6
303.86990	1.0
307.20581	3.0
310.19296	2.5
311.19925	5.5
312.20822	9.1
313.21634	6.4
321.22272	1.2
325.21573	16.4
326.22266	2.7
327.23038	3.5
329.30121	0.9
337.21545	4.4
339.23038	5.7
340.23904	16.6
351.23376	1.0
352.23929	27.1
353.24503	3.0
365.24792	5.1
366.25552	4.7
367.26492	1.1
374.25992	1.4
377.24640	1.5
379.26257	3.9
387.25381	3.8
391.26245	3.0
392.26859	3.6
400.26151	1.9
402.27786	1.3
403.28769	1.0
405.27777	1.0
411.25058	1.2
413.26849	4.9
414.26917	1.2
415.25195	2.2
419.29541	8.3
420.30191	4.1
425.26715	8.0
426.27487	4.3
427.28351	15.9
428.28873	2.2
440.29144	48.5
441.29480	2.6
442.30783	3.3
453.30035	1.8
454.30612	1.8
491.35294	1.4
494.33694	1.1
505.33286	1.4
507.34445	2.5
508.35095	4.9
520.35419	39.5
521.36292	4.1
582.40210	1.9
585.39453	3.5
598.26880	1.2
600.41425	40.4
601.41980	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87827	3.3
53.03938	7.1
55.05487	11.5
57.07059	18.0
59.04985	7.9
67.00987	3.3
67.05499	20.4
68.28667	3.8
69.03416	6.3
69.07056	14.5
69.97366	10.8
69.97778	14.8
79.05487	18.8
80.45164	4.5
81.07035	27.0
83.04958	7.4
83.08609	10.1
85.06529	11.6
89.06004	17.8
91.05470	38.6
92.75122	4.1
93.07034	37.9
94.07869	5.7
95.04952	12.9
95.08600	31.6
97.06515	9.7
98.20637	4.2
105.07016	56.0
107.04939	4.8
107.08561	33.3
107.61765	3.8
109.06491	14.2
109.10135	14.2
111.08069	7.1
111.29485	3.9
116.06221	3.9
117.06992	12.2
119.08572	69.4
121.06497	8.0
121.10112	28.7
123.08054	21.2
123.11685	4.4
125.05973	11.2
127.16409	3.7
128.06209	4.9
129.06975	13.0
130.07779	5.0
131.08562	25.6
133.06488	4.1
133.08626	8.6
133.10100	28.6
135.08041	23.8
135.11705	9.5
137.09581	12.7
141.07002	5.6
142.07758	11.3
142.87373	4.1
143.08549	23.3
144.09164	3.8
145.10133	51.5
147.08028	28.5
147.11667	14.1
149.09605	14.9
151.07512	14.1
155.08508	13.8
156.09323	11.8
157.10118	40.4
159.08105	6.9
159.11682	27.2
160.12196	3.9
161.09561	9.6
161.13254	10.9
163.11137	23.9
165.09108	43.6
167.08600	7.2
169.10095	17.7
170.10803	4.0
171.11679	22.4
173.09647	11.9
173.13237	9.0
175.11151	18.9
175.14827	4.9
177.12750	4.6
180.11469	7.4
181.10175	10.4
181.12195	23.8
182.10921	6.1
183.11685	17.1
184.12320	4.8
185.13214	10.4
187.11169	6.1
187.14825	6.2
189.12721	7.6
190.13477	9.9
191.10637	5.2
193.10176	8.4
193.12234	15.2
194.10907	7.3
195.11639	9.4
197.13252	14.6
199.11305	7.1
199.14664	5.2
201.12732	6.6
203.14316	18.2
207.11745	4.5
207.13737	9.5
208.14499	11.3
209.13112	10.9
210.13957	4.2
211.14868	11.6
213.12605	10.3
219.13803	6.3
221.13342	8.1
221.15321	100.0
222.15712	5.8
223.11014	5.1
229.15872	4.1
231.11745	5.0
233.15402	5.5
234.16023	18.8
235.14658	5.9
237.12767	4.5
243.13823	4.9
247.14677	7.3
247.16939	28.3
248.17667	5.8
259.16895	5.7
273.18582	4.1
274.19247	15.4
279.17508	5.4
286.19287	5.5
287.20023	14.8
299.20010	15.0
300.20697	6.2
311.19925	10.9
312.20682	10.0
313.21353	6.8
325.21582	20.2
340.23901	18.3
345.67468	3.8
352.23904	38.4
365.24704	11.9
366.25488	4.3
387.25150	5.8
391.26028	5.0
419.29535	4.9
420.30109	8.3
425.27002	7.6
426.27335	7.2
427.28610	20.6
430.56430	4.2
440.29129	50.4
507.34512	6.5
508.34991	5.0
520.35480	40.7
600.41302	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
53.72760	2.1
55.05491	10.8
57.07067	11.1
59.04976	5.9
65.03920	4.2
67.05492	20.1
69.03411	16.2
69.07066	12.2
69.49100	26.4
71.04970	2.4
79.05486	25.2
81.07040	30.7
83.04958	12.4
83.08586	9.6
85.06507	7.1
91.05463	40.5
93.07024	58.2
95.04968	18.3
95.08588	33.3
97.06500	7.9
98.21379	5.2
103.05413	5.6
105.07004	72.9
106.07836	3.1
107.04931	3.8
107.08577	48.1
108.05755	2.3
109.06501	13.7
109.10134	15.0
111.08053	4.4
115.05440	4.7
116.06259	2.2
117.06998	18.3
119.04930	2.4
119.08558	73.0
121.06509	14.0
121.10122	40.2
123.08050	22.6
123.11723	4.4
124.22195	2.1
125.05946	7.8
125.09613	5.2
128.06216	12.5
129.06995	21.1
130.07756	7.4
131.08548	39.9
132.09200	3.0
133.06479	10.3
133.08569	2.8
133.10100	40.0
135.08005	18.9
135.11626	13.0
137.09583	16.9
141.06967	7.8
142.07741	24.2
143.08530	45.4
143.89005	2.3
144.09319	12.3
145.06458	4.5
145.10092	54.9
146.07236	5.5
147.08025	38.2
147.11665	12.8
149.09583	20.9
151.07506	17.4
151.11156	3.1
153.06816	2.4
153.09152	2.4
154.07742	3.9
155.08504	17.9
156.09282	20.4
157.10091	72.4
158.10820	8.3
159.08037	17.3
159.11646	34.2
160.08755	2.5
160.12253	2.2
161.09555	19.9
161.13220	4.8
162.33377	2.5
163.11177	19.2
165.06935	5.8
165.09084	39.1
166.07758	3.2
167.08545	6.4
167.10632	13.3
168.09311	5.9
169.10115	26.4
170.10838	10.8
171.07979	3.1
171.11661	34.0
172.08807	2.9
172.12376	8.2
173.09616	10.5
173.13182	16.5
174.10229	4.0
175.11147	24.1
175.14758	3.6
177.09074	4.8
177.12720	6.0
179.08514	9.8
179.10672	5.0
180.09233	6.1
180.11443	5.2
181.08638	2.6
181.10106	11.8
181.12108	13.3
182.10858	8.8
183.11638	24.3
184.12447	4.8
185.09607	3.9
185.13202	25.1
186.13914	2.7
187.11154	10.0
187.14798	6.3
189.12692	14.1
190.13503	9.4
191.10616	4.2
191.14178	5.2
192.09323	2.7
193.10197	11.2
193.12192	10.6
194.10904	4.3
195.11693	26.7
195.13461	3.6
196.12410	5.1
197.09628	4.5
197.11670	3.7
197.13245	20.7
198.13855	3.5
199.11165	9.7
199.14806	8.1
201.12679	7.3
203.14285	36.0
205.12117	3.0
206.10918	5.2
207.11639	16.6
207.13777	16.5
208.12447	6.2
208.14532	11.1
209.13229	17.9
209.15237	4.8
211.11125	5.7
211.14702	13.0
212.11940	3.1
213.12723	8.4
213.16275	3.5
215.10683	3.1
215.14244	4.8
217.10138	3.5
217.12282	3.5
218.16595	3.9
219.11775	4.1
219.13815	7.0
221.13220	11.1
221.15291	89.1
222.15918	3.0
223.11192	3.8
223.14751	7.7
224.15244	2.5
225.12712	6.8
225.16339	7.1
227.14262	8.6
227.17816	3.6
229.15877	4.1
230.12962	2.9
231.11703	4.0
231.17505	3.1
233.13200	6.3
233.15337	20.9
234.14020	3.1
234.16051	16.0
235.14789	8.0
237.12631	4.6
237.14703	38.6
239.14238	5.3
239.17879	3.0
241.15782	5.1
245.12967	3.5
246.13913	4.6
247.16908	6.7
248.13870	12.6
249.16194	6.1
251.18095	3.7
253.15912	6.4
255.17406	25.3
259.14670	4.8
259.17050	5.4
261.16409	8.0
263.14288	2.9
263.17856	2.9
265.15738	3.5
267.17422	5.3
269.18985	4.9
270.19690	7.0
271.16895	8.4
273.16168	3.4
274.19379	12.3
275.18021	3.7
277.19290	4.9
279.17386	5.2
281.18918	5.1
283.20383	3.2
285.18530	4.7
286.19257	18.9
287.19955	10.3
291.17319	3.3
294.19730	3.4
295.20456	5.4
299.20129	16.1
303.19452	60.5
309.18558	3.1
310.19064	2.6
311.20166	3.9
312.20779	8.0
313.21570	16.5
319.20505	3.3
325.21478	14.3
337.21494	11.6
345.38141	2.4
352.23904	100.0
353.24234	6.1
365.24664	18.5
366.25186	3.3
377.24713	4.9
383.25821	5.3
391.26028	2.9
420.30136	5.4
454.30750	3.7
487.31924	4.4
502.34430	11.0
503.34857	6.7
505.32962	3.8
507.34546	9.4
508.34680	6.3
520.35376	56.5
521.36078	3.6
535.89258	2.6
582.40613	4.7
585.39502	2.6
600.32782	3.3
600.41461	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.05512	10.2
57.03414	2.6
57.07069	11.8
59.04990	4.3
67.05497	18.7
68.57241	1.8
69.03429	10.5
69.07059	13.5
69.96379	11.3
77.03927	2.0
79.05473	23.1
81.03407	2.2
81.07045	32.0
83.04960	12.8
83.08598	6.6
85.06516	7.7
89.06043	2.3
91.05463	40.9
93.07031	56.6
95.04949	19.8
95.08595	30.2
97.06494	7.2
103.05433	2.4
105.07014	73.9
107.04925	4.1
107.08576	47.6
109.06493	17.9
109.10167	13.8
111.08072	6.1
115.05455	3.9
117.06981	18.3
118.41912	1.8
119.08566	65.8
120.09383	2.1
121.06477	10.9
121.09258	2.7
121.10122	43.0
123.08069	19.4
123.11685	4.7
125.09597	6.1
128.06223	9.1
129.07001	18.2
130.07761	5.7
131.08556	36.9
133.06464	8.6
133.10106	42.6
135.08034	22.1
135.11674	11.7
137.06010	2.5
137.09581	12.9
139.07553	2.6
141.06984	7.7
142.07762	21.4
143.08557	41.1
144.09296	9.2
145.06483	5.3
145.08951	2.7
145.10101	48.5
147.08040	28.6
147.11673	12.3
148.08809	3.3
148.39211	2.0
149.09610	18.8
151.07503	15.5
151.11073	2.1
153.06964	4.3
154.07605	2.0
155.08551	15.5
156.09325	14.4
157.10117	60.3
158.10841	10.0
159.08026	15.4
159.11699	26.5
160.08795	5.4
160.12396	2.3
161.09593	19.7
161.13280	5.3
163.11168	14.5
165.06903	4.3
165.09090	33.8
167.08516	5.5
167.10699	10.9
168.09331	5.4
169.10112	17.4
170.10851	7.6
171.07904	2.8
171.11688	25.0
172.12483	5.1
173.09602	12.1
173.13234	14.2
174.10320	2.9
175.11165	17.2
175.14728	2.4
176.15114	1.8
177.09106	3.9
177.12587	2.4
178.09880	3.4
179.08531	7.7
179.10695	5.2
180.09335	2.3
180.11406	3.8
181.10077	11.8
181.12160	9.3
182.10905	8.2
183.11668	20.6
184.12398	1.9
185.09602	6.1
185.13193	19.0
186.13908	2.3
187.11133	7.3
187.14752	4.6
188.11766	2.6
189.12674	13.7
190.13510	10.7
191.10626	2.1
191.14287	5.1
192.09343	3.3
193.10286	10.1
193.11938	9.0
194.10864	4.6
195.11647	15.6
195.13405	2.3
196.12445	8.0
197.09633	4.7
197.11629	3.6
197.13240	18.2
198.13924	3.3
199.11186	8.0
199.14810	6.4
201.12758	6.9
203.14285	23.4
205.10083	2.9
207.11667	13.1
207.13760	12.6
208.12454	6.9
208.14574	8.4
209.13202	20.6
209.15216	4.5
210.10316	2.3
210.14012	3.3
211.11163	6.7
211.14774	9.4
212.11815	3.2
213.12709	8.8
213.16330	3.1
215.10701	4.9
215.14261	4.8
217.10123	3.5
218.16585	3.4
219.11801	4.1
219.13747	5.4
220.12466	5.5
221.13260	10.0
221.15303	85.7
222.13879	2.5
222.15768	4.1
223.11157	3.0
223.14742	10.5
225.12695	5.8
225.16380	6.4
227.14235	4.6
229.12242	2.3
229.15891	3.9
233.13202	5.6
233.15350	21.9
234.13884	2.8
234.15938	9.8
235.14745	7.8
235.16872	3.0
237.12604	4.8
237.14685	33.5
239.14265	3.7
241.15860	3.6
245.13150	2.0
246.13927	2.8
247.14787	3.9
247.17003	7.6
248.13927	13.9
249.16275	6.2
251.14119	3.9
251.16206	2.2
253.15741	6.1
255.17412	16.5
257.15454	2.3
259.14670	4.3
261.16281	7.9
263.17865	4.1
268.18060	3.4
269.18967	2.9
270.19714	7.1
271.17026	8.3
273.18640	3.7
274.19336	13.3
275.14337	2.0
276.18765	2.5
277.19537	2.3
279.17465	5.1
281.19000	5.1
285.18512	7.7
286.19217	11.7
287.20059	10.3
289.19580	2.2
291.20837	2.9
294.19806	6.6
295.20364	4.7
297.18362	5.5
298.51611	2.0
299.20135	13.2
303.19534	47.9
310.19196	3.3
311.19931	4.5
312.20749	3.3
313.21429	12.9
319.20493	3.4
325.21680	13.6
337.21716	9.7
347.23660	3.1
352.23904	100.0
353.24530	4.3
359.23489	3.0
365.24701	18.1
377.24704	8.3
383.25839	5.7
413.75629	2.0
439.28146	2.6
454.30728	2.7
477.33606	2.4
487.31628	3.4
502.34192	8.9
503.35117	9.1
505.32983	4.6
507.34659	12.9
508.34998	9.5
520.35406	45.1
521.35950	4.2
567.38135	3.6
582.40082	4.1
583.41455	5.4
585.38971	4.7
600.41486	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	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.8
55.01862	2.6
55.05497	12.0
57.03428	2.2
57.07081	10.1
58.35141	2.1
59.04991	3.6
65.03903	5.1
67.05497	20.6
69.03412	13.4
69.07066	11.2
69.61141	22.2
71.04971	2.9
78.75275	2.0
79.05479	21.9
81.07033	29.6
83.04968	13.3
83.08604	4.1
85.06518	6.3
89.05991	3.1
91.05470	33.2
93.07030	60.1
95.04955	18.7
95.08580	31.5
97.06499	5.8
103.05417	2.5
104.27472	1.9
105.07013	80.4
106.07801	2.7
107.04955	5.0
107.08576	39.5
109.06503	19.1
109.10138	15.3
111.08036	6.3
115.05430	4.8
116.06187	2.9
117.06995	21.6
119.04888	3.7
119.07710	4.4
119.08560	75.5
120.09296	3.4
121.06493	14.0
121.10121	36.5
122.07271	2.8
123.08054	22.5
123.11668	4.5
124.08690	2.2
125.05879	2.6
125.09575	4.3
128.06200	9.1
129.06995	16.9
130.07745	5.9
131.08566	34.0
132.09319	6.3
133.06444	6.3
133.10097	38.0
135.08047	25.9
135.11661	12.1
137.09569	18.9
139.07520	2.7
139.11121	2.8
141.06966	7.8
142.07741	18.7
143.08548	37.9
144.09337	14.1
145.06416	4.1
145.10115	50.3
147.08020	31.3
147.11668	13.4
149.09589	13.9
151.07532	15.9
153.07014	4.2
155.08537	16.3
156.09322	14.2
157.10107	66.5
158.10941	10.2
159.08018	16.5
159.11667	30.0
160.08778	4.0
161.09639	14.3
161.13239	7.6
162.47841	2.3
163.11128	14.5
165.06915	5.7
165.09087	46.8
166.07765	3.8
167.08554	6.8
167.10664	12.0
168.09357	5.3
169.10100	23.0
170.10881	11.0
171.08139	3.2
171.11661	29.3
172.08711	3.1
172.12416	5.6
173.09641	10.4
173.13258	18.7
174.10266	2.2
175.11189	22.7
175.14685	2.8
177.09099	3.0
177.12692	8.4
179.08508	10.8
179.10654	5.8
180.09283	2.6
181.10199	14.2
181.12181	9.9
182.10832	6.5
183.08101	2.8
183.11674	25.5
184.12430	5.4
185.09576	4.8
185.13235	22.0
186.13969	2.9
187.11153	7.1
187.14769	6.1
188.11952	2.6
189.12653	11.0
190.13480	12.2
191.08533	2.2
191.10675	3.9
191.14281	2.7
192.09344	4.6
193.10085	9.4
193.12216	7.7
194.10875	6.4
195.11687	19.9
195.13414	3.2
196.12421	8.5
197.09724	5.1
197.11722	4.2
197.13249	16.7
198.13828	2.5
199.11169	7.9
199.14803	7.2
201.12759	6.2
203.14262	25.8
205.10056	2.9
205.12204	2.0
206.10855	4.4
207.11656	12.4
207.13785	11.6
208.12410	8.2
208.14545	8.3
209.13210	19.2
209.15337	6.0
210.13982	2.2
211.11157	6.3
211.14758	8.8
212.15366	2.8
213.12766	11.4
213.16277	2.5
215.14157	5.3
217.12311	4.3
217.15889	3.7
218.16786	2.1
219.11635	7.6
219.13832	5.6
220.12506	3.9
221.13261	10.7
221.15295	86.4
222.15746	3.7
223.11124	4.4
223.14790	5.6
223.65564	2.3
225.12741	7.4
225.16373	7.7
227.14322	4.8
227.18053	2.3
229.12503	2.8
229.15831	3.2
231.13721	3.1
232.12363	3.8
233.13200	4.9
233.15343	19.6
234.14008	2.5
234.16104	17.2
235.14742	7.4
237.12682	4.8
237.14687	33.2
239.14301	3.6
241.15726	3.5
245.13155	3.9
247.14720	5.6
247.16905	9.2
248.13829	13.7
249.16335	5.3
251.14212	5.1
253.15900	5.8
255.17424	23.7
259.14627	3.8
259.16980	5.9
261.16254	6.5
261.73621	2.4
263.14191	3.0
267.17465	3.1
269.18967	4.7
270.19681	7.4
271.16873	5.7
272.17819	2.5
273.18637	4.4
274.19260	20.1
277.15823	2.7
279.17297	3.7
281.18982	5.8
285.18732	5.2
286.19193	17.1
287.19946	8.0
293.18884	3.8
294.19543	8.3
295.20520	3.5
297.18491	5.1
299.20212	16.2
303.19525	49.2
310.19238	3.1
311.20416	2.8
312.20767	8.2
313.21658	22.5
319.20520	3.0
325.21478	15.2
337.21533	8.9
351.22839	2.9
352.23938	100.0
359.23618	2.5
365.24655	22.1
377.24719	5.8
381.24356	2.8
383.25836	7.8
401.27899	2.4
420.30130	4.9
454.30536	4.9
502.34308	11.7
503.35019	8.4
505.33096	6.8
507.34702	14.1
507.41461	2.0
508.34869	6.4
520.35437	66.2
521.35797	4.4
567.38397	4.1
582.40405	5.2
583.40979	3.3
585.39117	3.5
600.41400	30.0
601.42029	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	600.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
52.49539	0.3
53.03926	1.2
55.01857	1.5
61.02920	0.4
65.03916	1.4
67.05492	0.3
69.03407	0.8
71.04617	0.7
71.04984	0.7
75.04482	1.8
75.04845	0.3
77.03909	0.3
78.04692	1.0
79.05475	3.7
81.07038	0.5
85.02893	4.4
89.03885	0.6
89.06040	0.6
91.05466	8.0
93.03386	6.1
93.07034	3.2
95.04955	3.7
97.02859	1.2
97.06530	1.3
103.05454	5.9
105.03407	0.4
105.04541	0.5
105.07012	24.1
106.04156	14.4
106.04886	0.7
106.07295	0.5
107.04917	1.5
109.02884	0.5
109.06475	0.7
115.05434	3.8
117.03368	0.4
118.04147	2.5
119.04903	1.2
120.05704	0.4
121.02850	0.9
121.06490	18.4
123.04427	0.8
123.08002	0.3
124.05233	0.8
125.05966	4.4
127.03900	0.8
127.65772	0.3
131.04895	1.9
133.06468	22.7
134.03610	2.4
135.04402	1.2
135.08015	1.3
137.02333	0.7
137.05946	6.4
138.06740	0.7
139.07530	1.2
140.53079	0.3
143.06001	0.8
145.02831	0.8
145.04979	0.7
147.04335	0.8
148.05142	1.8
149.05956	24.5
150.06766	2.7
151.03850	0.4
151.07552	1.7
153.05443	0.8
153.09074	6.4
161.05952	36.6
162.06342	0.6
162.07568	0.7
163.03975	0.6
163.07480	2.0
165.09100	6.0
166.06235	0.4
167.06989	0.8
173.05983	0.5
177.05446	12.5
178.06120	0.5
180.08705	0.7
181.08569	10.6
191.07005	10.5
193.08571	100.0
194.08972	2.5
209.08055	47.9
210.08440	0.9
211.09619	1.3
218.38585	0.4
306.76239	0.4
312.65454	0.3
371.14856	0.8
403.17435	0.5
418.11673	0.4
438.46585	0.4
600.24078	0.5
601.25195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01324	0.5
53.03923	0.5
55.01858	2.4
57.03420	0.4
62.28364	0.4
65.03920	1.1
67.05485	0.6
69.03422	0.5
70.06599	0.5
70.39626	1.7
71.04930	0.5
75.04448	1.9
78.04700	1.0
79.05479	2.9
81.03373	0.5
85.02885	3.3
89.03859	0.8
91.05471	7.3
93.03394	6.4
93.07037	3.7
95.04936	2.7
97.02915	1.1
97.06518	1.3
103.05450	5.1
105.03349	0.7
105.07012	23.1
106.04150	12.2
107.04932	1.7
109.02847	0.8
111.04401	0.6
115.05442	3.9
117.06921	0.6
118.04124	2.0
119.04948	0.7
121.06489	15.6
123.04373	0.9
124.05179	0.6
125.05976	3.2
127.03863	1.2
131.04915	1.9
133.06467	22.4
133.10051	0.5
134.03595	1.7
134.06787	0.8
135.04422	1.1
135.07948	0.8
137.05954	4.9
139.07524	1.0
143.05981	0.9
145.02824	0.7
147.04437	0.8
148.05182	2.2
149.05954	24.1
150.06763	2.4
151.07527	2.0
153.05467	0.6
153.09077	6.3
161.05952	39.4
162.06328	1.0
163.07550	2.3
165.05405	0.5
165.09077	5.5
166.06166	0.5
166.09315	0.5
167.07127	0.4
175.07635	0.5
176.75375	0.5
177.05440	9.9
180.08690	0.5
181.04996	0.7
181.08574	10.7
191.07027	8.9
193.08572	100.0
194.08995	1.9
209.08057	36.9
210.08379	0.8
211.09555	0.5
294.07623	0.5
371.14899	0.6
396.11487	0.5
436.05389	0.5
566.43500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.05501	7.0
57.07070	4.4
59.04984	2.3
60.23572	0.6
62.60187	0.8
65.03918	1.5
65.29327	0.7
67.05490	9.4
67.42210	0.7
69.03414	8.1
69.07059	7.5
70.40813	3.4
77.03085	0.7
79.05479	11.6
81.06583	1.0
81.07045	13.1
81.99555	0.6
83.04976	7.9
83.08607	4.2
85.02895	0.8
85.06522	4.5
90.91810	0.7
91.05464	17.2
93.06478	0.8
93.07028	21.8
95.04955	9.0
95.08591	11.5
97.06516	4.6
98.20811	1.2
103.05449	2.0
105.04430	0.7
105.06313	1.6
105.07015	30.3
107.04948	1.7
107.08578	24.2
109.06493	8.4
109.10151	8.5
111.04436	1.2
111.08082	1.5
113.09568	0.7
115.05448	1.6
116.06217	0.8
117.07002	8.7
119.04921	0.9
119.08563	27.6
121.02879	1.1
121.06480	7.2
121.10123	23.1
123.08060	9.1
123.11709	2.0
125.05951	1.4
125.09605	4.7
126.35753	0.7
128.06194	5.4
129.06987	6.5
130.07758	2.3
131.08549	16.6
133.06445	4.0
133.10106	14.9
135.08046	10.1
135.11635	5.4
137.05933	0.8
137.09581	5.6
139.07483	1.8
139.11174	1.8
141.06987	3.2
142.07750	8.2
143.08539	19.0
143.09605	1.3
144.09352	5.5
145.06451	2.3
145.10106	17.8
147.08018	11.9
147.11649	5.0
149.09599	11.7
149.13208	0.8
151.07518	9.4
151.11186	1.2
153.07013	1.2
153.09058	1.2
154.07768	2.0
155.08522	6.6
156.09317	7.9
157.10101	19.8
158.10884	2.3
159.08052	9.4
159.10353	1.0
159.11671	13.9
159.12927	1.2
160.08813	0.8
161.09595	8.2
161.13242	3.8
162.10190	0.7
163.07494	0.8
163.11189	6.0
165.06970	2.6
165.09094	16.9
166.07808	1.8
167.08597	4.5
167.10677	10.4
168.09364	3.8
169.10104	13.2
170.10869	3.4
171.07977	1.1
171.11655	14.3
172.08830	1.1
172.12360	1.0
173.09599	4.2
173.13200	6.5
174.10515	0.8
175.11165	6.1
175.14745	1.8
177.09108	1.8
177.12733	1.8
179.08539	4.6
180.09305	2.9
181.10095	6.5
181.12100	3.5
182.10925	3.8
183.11668	12.5
184.12425	2.3
185.09644	3.0
185.13213	5.3
186.10410	1.2
187.11122	4.0
187.14833	2.6
188.11913	0.9
189.12709	5.8
189.16336	0.7
191.10715	0.8
191.14287	3.2
192.09383	1.2
193.10136	5.1
193.12051	1.4
194.10878	2.7
195.11684	9.8
195.13551	1.2
196.12456	3.2
197.09581	1.3
197.13214	9.0
198.13947	1.0
199.11276	3.4
199.14835	2.8
200.11932	0.9
201.12743	2.5
203.10678	1.0
203.14264	7.6
205.10165	1.9
206.10886	2.1
207.11694	6.7
207.13800	8.0
208.12428	2.7
209.09845	1.8
209.13245	8.8
209.15320	2.6
210.14006	2.1
211.11232	2.4
211.14792	4.2
212.15581	1.1
213.12746	3.1
213.16254	1.3
215.14330	3.3
217.10101	1.7
217.12263	1.1
217.15808	1.2
218.10863	1.1
219.11644	2.6
220.12482	2.3
221.13239	7.4
221.15376	33.7
222.13907	1.6
222.15863	0.9
223.14767	5.1
224.15390	1.1
225.12750	3.2
225.16399	2.9
227.14281	1.8
227.17938	1.1
229.12288	3.0
229.15775	1.0
231.11665	2.0
231.13765	0.9
232.12523	2.0
233.13219	3.2
233.15317	23.6
234.13815	1.5
235.14832	3.2
236.15456	1.5
237.12759	1.3
237.14655	1.7
237.16669	1.4
239.14346	1.7
241.15904	1.6
243.11653	0.9
243.17448	0.9
244.12291	0.8
245.13228	2.5
247.14777	2.7
247.17014	2.1
248.15520	1.3
249.16432	2.6
251.14310	1.5
251.17903	1.0
253.15826	1.2
255.13760	1.1
255.17502	0.9
257.13177	1.3
259.14835	2.0
260.15561	1.3
261.16397	3.0
263.18073	1.9
267.17523	1.2
269.19046	1.9
271.17068	0.9
273.16034	1.0
273.18640	1.3
281.18976	9.0
285.18616	1.4
286.19229	2.2
287.20096	2.9
289.19513	1.4
291.17413	1.3
295.20218	1.2
299.20297	3.6
303.20776	0.8
307.20639	1.1
311.20276	1.4
317.19089	0.9
329.22574	1.3
333.22354	1.0
349.21564	1.4
351.23145	1.2
355.24103	0.8
359.23361	1.0
364.24005	3.3
365.24731	2.9
373.25220	2.6
377.24820	2.3
391.26205	2.7
415.28754	2.0
441.29987	3.3
489.33749	2.8
493.32941	2.2
507.34637	70.7
508.34763	4.5
581.39709	4.0
599.40887	100.0
600.41180	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	599.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.1
54.28044	0.4
55.01828	0.5
55.05506	4.0
55.07477	0.4
57.07067	7.3
59.05000	2.5
60.60580	0.4
61.23203	0.4
65.03897	0.8
67.05496	6.9
69.03415	7.5
69.07056	3.3
70.97029	0.9
71.04961	0.6
71.08565	0.4
74.18803	0.4
77.03919	0.4
79.05481	8.0
81.03386	0.8
81.07040	11.8
83.04965	3.0
83.08576	1.4
85.06530	3.3
91.04925	0.7
91.05463	13.4
93.07030	21.1
95.04955	5.7
95.08595	12.5
95.09459	0.4
96.80045	0.4
97.06508	3.1
99.08123	0.5
103.05432	0.8
105.02103	0.4
105.07014	25.0
106.07228	0.7
107.04903	0.7
107.08577	13.6
108.96960	0.4
109.05828	0.5
109.06503	6.2
109.10120	5.1
111.04382	0.5
111.08023	1.3
115.05409	1.3
116.06200	0.4
117.07004	5.2
119.04939	0.6
119.08559	26.1
121.06493	4.8
121.10126	14.4
121.38184	0.4
122.07246	1.0
123.08047	13.1
123.11648	1.4
124.16455	0.4
125.05972	3.1
125.09607	0.5
128.06197	3.0
129.06970	4.3
130.07732	1.5
131.07655	0.6
131.08549	10.9
132.09085	0.4
133.06470	2.0
133.09174	0.7
133.10114	12.6
135.08038	10.5
135.11685	4.4
137.05933	1.0
137.08577	0.8
137.09590	13.0
139.07504	2.3
141.06992	3.1
142.07767	7.0
143.08549	11.1
144.09325	2.8
145.06427	1.0
145.10097	17.0
147.08023	25.7
147.11662	3.6
148.08789	0.6
149.09587	4.7
151.07513	10.1
151.11102	0.5
153.06941	1.1
154.07758	1.0
155.08516	4.8
156.09294	6.2
157.10112	17.9
158.07198	0.6
158.10744	1.3
159.08014	2.7
159.11684	10.1
160.08743	0.5
160.12262	0.6
161.09589	5.2
161.12004	0.6
161.13222	5.6
162.44687	0.4
163.11160	8.4
164.11401	0.5
165.09090	52.7
166.07916	0.5
166.09387	1.0
167.08531	1.9
167.10614	1.1
168.09341	2.5
169.10097	8.3
170.10855	3.6
171.08005	0.7
171.11652	9.5
172.08688	0.6
172.12430	0.5
173.09593	4.2
173.13239	3.7
174.10358	0.6
175.11147	2.5
175.14795	2.2
177.09084	2.0
177.12659	1.4
179.08525	1.3
179.10645	0.9
179.14294	0.6
180.09320	1.0
181.10139	3.8
181.12183	6.3
182.10878	2.0
183.11668	11.8
184.12352	0.6
185.09554	1.4
185.13222	9.0
186.10361	0.6
187.11172	3.3
187.14799	2.4
188.11946	0.5
189.12708	4.4
191.10612	2.9
191.14255	1.6
192.09352	0.8
192.11337	0.6
193.10083	2.8
193.12169	1.2
194.10864	1.2
195.11633	4.7
195.13719	1.2
196.12486	2.2
197.09560	1.0
197.13220	4.5
198.10379	0.6
199.11198	2.6
199.14757	1.6
200.11920	0.4
201.12680	1.6
203.14282	19.0
205.12140	0.7
206.10818	0.9
207.11649	2.6
207.13756	6.3
208.12366	1.1
209.09660	0.5
209.13203	4.3
209.15213	1.0
210.10321	0.7
210.14012	1.0
211.11119	1.6
211.14777	5.5
212.15671	0.6
213.12759	2.3
213.16391	0.8
214.13460	0.6
215.10576	0.6
215.14317	1.2
217.10161	0.5
217.15932	0.5
219.11597	0.9
219.13654	0.5
220.12527	0.6
221.15320	100.0
222.13844	0.6
222.15694	1.7
223.11214	1.0
223.14812	2.0
225.12692	1.8
225.16339	1.4
226.13495	0.7
227.14211	1.9
227.17911	0.9
229.12151	1.2
229.15768	1.3
231.11664	0.7
231.13753	1.5
232.12317	0.7
233.13193	1.9
233.15343	2.4
235.14745	1.4
235.16840	0.8
237.12730	1.2
237.16290	0.9
239.14258	1.3
239.17839	1.1
240.15067	0.5
241.15831	0.6
243.13828	0.9
245.13170	0.7
245.15422	0.6
247.16916	15.8
249.16418	0.8
251.14252	0.7
251.17973	0.8
253.15755	0.9
253.19533	0.5
255.17381	0.6
259.14810	0.6
260.15424	0.6
261.16190	0.8
261.18588	0.6
263.18054	0.7
265.15729	0.5
267.17459	0.6
269.18967	1.1
271.16986	1.1
275.17780	0.5
279.17334	0.6
281.18982	1.8
283.17154	0.5
285.18445	0.8
286.19153	1.6
287.20023	7.5
291.17581	0.6
299.20090	5.7
300.23254	1.0
301.21762	2.2
309.18564	0.7
311.19952	1.5
312.20663	0.6
313.21552	1.4
325.21643	1.9
327.23087	2.3
335.19846	0.7
347.23907	0.5
364.24115	0.7
365.24683	3.4
373.25024	1.1
387.25360	0.6
391.26242	9.7
413.26794	1.6
419.29462	2.1
427.28439	6.4
441.29312	0.4
453.29858	1.1
454.68616	0.4
482.84100	0.4
507.34534	9.1
519.34869	2.4
581.39587	2.4
599.40887	73.3
600.41138	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	599.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
51.99722	0.2
53.03928	0.7
55.01856	1.0
57.03411	0.8
61.02909	0.3
65.31145	0.3
67.01870	0.3
69.03413	0.5
70.06588	0.3
71.33125	0.3
71.80135	0.5
73.02915	0.4
77.03894	0.3
79.05482	1.3
81.03401	1.0
83.04966	0.2
85.02899	2.9
91.05459	0.3
95.01321	0.3
95.04953	1.4
95.08624	0.4
97.02869	1.1
103.03941	0.6
105.04536	0.3
107.04937	100.0
108.05273	0.8
108.14474	0.2
109.02845	0.9
121.02843	1.5
121.06435	1.2
123.04428	0.7
127.03913	0.6
129.06995	0.3
131.04884	1.5
133.06476	0.6
135.04395	0.7
139.03880	0.9
145.06453	0.5
147.04375	1.7
149.02257	0.3
149.05965	0.6
151.03891	1.6
157.06410	0.5
159.04446	0.7
159.08020	0.3
161.05966	1.0
163.03851	2.1
165.05507	0.3
171.04436	0.6
173.05983	1.1
175.03879	2.2
177.05486	1.6
178.04884	0.3
181.04941	2.0
185.05989	0.9
187.03880	2.0
187.07559	0.4
189.05431	1.1
191.03391	1.0
191.08505	0.3
193.04935	3.0
197.06023	0.5
199.03918	0.7
201.05440	1.7
203.03398	0.7
203.07018	0.6
205.04947	5.5
207.06528	0.4
211.05934	0.4
213.05461	1.3
215.03279	0.4
215.06915	0.4
217.04919	5.0
217.06871	0.4
219.02927	0.8
219.06427	1.6
221.04430	1.4
221.47913	0.3
223.05966	2.1
225.05437	0.9
227.06995	0.5
229.04892	2.2
231.06468	2.3
233.04437	0.7
235.05942	3.4
237.05537	0.3
241.04889	1.8
243.06526	1.4
245.04495	0.6
245.08037	0.7
247.05939	4.9
253.04965	0.8
255.06375	1.2
257.04367	0.8
257.08115	0.5
259.05975	7.4
263.07141	0.3
265.04965	0.3
267.06580	0.5
269.04593	0.4
269.07974	0.4
271.05933	3.1
271.08054	0.3
273.07608	1.1
277.06909	1.9
279.06522	0.5
281.08002	0.5
283.06079	2.2
285.07623	1.1
287.05695	0.6
287.09180	1.3
289.06985	2.7
293.08105	0.5
295.05920	0.6
297.07535	0.8
298.11008	0.3
299.09100	1.6
301.07025	2.9
303.04993	0.9
307.08405	0.4
309.07550	0.5
311.05609	0.5
311.09180	1.6
313.07007	2.9
317.10312	1.3
319.08154	0.6
323.09174	1.0
325.06973	2.1
325.10431	0.4
327.08456	0.7
329.10141	3.6
330.14667	0.3
335.08923	0.3
337.06815	0.3
341.10150	4.1
343.08105	1.1
347.09109	0.4
348.00171	0.3
353.10162	6.0
355.07962	0.6
359.11206	0.9
361.09332	0.5
365.10126	4.4
367.08157	0.6
373.10663	0.3
377.10312	1.6
383.11206	7.0
385.09439	0.5
389.09933	1.4
391.11987	0.4
393.09451	0.3
395.11176	7.9
403.10379	0.3
407.11212	7.2
413.12408	2.7
419.11099	5.1
420.11432	0.4
425.12308	3.5
429.11856	0.3
431.13428	10.1
432.13382	0.3
437.12122	0.7
443.13318	3.8
449.12250	6.2
456.31573	0.3
461.13528	4.4
467.13300	3.5
473.12323	1.1
479.13333	3.2
485.14325	4.0
491.13293	2.3
497.14310	7.1
498.14517	0.4
509.14246	2.9
527.15277	2.6
545.16479	1.9
563.17560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
57.03422	0.6
69.03413	2.0
71.78248	1.1
74.81165	0.5
78.79198	0.5
81.03393	2.0
84.01063	0.6
85.02887	6.0
91.05480	3.1
93.07034	5.4
95.04909	1.2
97.02863	1.2
103.05460	2.1
105.07030	1.1
107.04912	0.9
111.04423	1.2
120.04465	0.8
120.08076	0.7
121.02848	1.4
121.06483	77.0
123.04413	2.0
127.03887	2.2
133.06491	3.7
136.07565	0.7
137.02316	100.0
137.05925	7.0
138.02649	1.6
138.09119	28.7
145.04877	1.0
147.04414	0.6
148.04681	0.6
154.05017	0.6
161.05948	0.7
163.03886	2.1
163.07494	0.7
165.09105	1.6
183.10193	1.0
232.03209	1.1
257.13797	7.9
274.10690	83.3
287.05457	10.7
288.05777	18.4
288.09027	0.8
289.06003	13.9
290.06296	11.1
303.04541	0.7
310.12527	0.7
436.15967	48.1
452.11560	0.7
468.14206	0.6
598.17371	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1806
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.52739	3.2
55.01854	6.4
60.50760	2.3
65.03910	3.1
70.37067	9.0
70.37484	6.7
81.03386	4.7
85.02897	29.3
91.05433	4.0
93.03388	10.0
95.04932	8.3
97.02852	10.2
98.20735	3.9
100.46236	2.7
105.03313	5.7
107.04927	30.2
108.05208	2.8
109.02843	13.7
111.04416	6.9
115.05390	2.8
119.04916	9.7
121.02849	23.2
121.06469	9.1
123.04393	13.1
127.03949	3.0
131.04924	4.9
135.04379	15.5
138.20615	2.9
139.03917	5.5
145.06462	5.8
147.04391	24.3
151.03870	7.1
153.01788	5.7
159.04382	7.3
161.02254	3.8
161.05991	6.8
163.03868	11.3
165.01811	15.1
173.02306	3.1
173.05908	9.4
175.00220	6.1
175.03745	4.8
177.01797	18.1
177.05396	7.8
183.02911	3.7
187.03850	9.0
189.01799	25.0
191.03326	16.1
195.02847	46.5
199.03815	3.9
201.01770	6.5
201.05396	12.7
203.03339	9.9
205.01294	6.5
205.04877	6.6
207.02832	45.2
213.05365	4.5
215.03343	13.2
217.01311	3.7
217.04871	3.7
219.02855	91.9
221.00856	5.5
221.04404	9.2
223.02267	14.9
225.03799	20.1
227.03247	5.9
229.04933	23.4
231.02872	40.3
231.06485	4.5
233.04442	20.5
237.03903	27.6
241.04950	5.3
243.02805	31.4
243.06470	6.3
245.04375	10.1
247.02248	3.6
247.05942	4.8
249.03867	21.5
253.04926	4.0
255.02739	10.6
257.04404	17.6
259.02298	5.0
261.03906	100.0
269.04224	6.4
271.05960	9.4
272.12811	3.2
273.03909	42.7
275.05356	7.1
281.04254	3.7
285.03900	48.0
287.05408	7.8
289.03210	4.6
291.04965	25.5
297.03836	17.9
297.07477	14.3
299.05389	11.1
303.04910	30.5
309.07462	8.0
315.04889	13.3
321.05960	15.5
325.06781	4.1
327.04886	47.5
327.08594	24.8
339.07877	40.5
345.06076	7.0
351.08524	15.1
357.05878	8.4
357.09753	4.0
363.07083	27.7
369.05966	5.2
375.07309	8.2
381.09741	36.7
387.07214	10.1
393.09406	31.5
405.08389	41.7
411.10724	18.3
417.09686	5.3
423.09961	21.8
429.11911	40.6
441.11002	40.8
444.10391	3.2
447.10532	28.5
459.12729	38.5
465.11359	8.1
477.11670	8.0
483.12875	19.3
489.11728	4.0
495.12827	23.2
507.12582	9.6
525.13928	19.0
543.14850	23.0
597.23743	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	597.1439
Annotation	Peltatoside
Peak:m/z	Relative Intensity
54.99337	0.2
55.01862	0.3
57.03430	1.9
61.02918	2.6
61.79352	0.3
64.95258	0.2
68.99790	0.5
69.03415	2.5
71.01341	0.5
71.32872	0.3
71.33219	0.5
73.02905	4.8
74.53931	0.2
81.03399	0.8
85.02370	0.3
85.02891	5.1
91.03926	0.9
92.93214	0.2
96.20879	0.2
97.02879	3.4
109.02864	0.8
111.00785	0.8
115.03906	1.5
121.02828	0.7
123.04371	0.2
127.03908	1.4
133.04921	0.2
137.02319	2.9
145.04916	0.9
149.02306	0.5
153.01799	3.3
163.03888	0.4
163.05952	0.4
165.01833	1.8
183.02795	0.7
183.04327	0.3
195.02771	0.2
201.05476	1.6
228.04134	0.2
229.04907	3.9
247.05988	0.8
257.04404	2.3
269.37711	0.2
274.04678	1.0
285.03915	1.0
303.04938	100.0
304.05222	0.6
314.05338	0.2
315.04831	0.4
315.27750	0.2
315.53375	0.2
345.05850	0.6
418.47842	0.3
465.10059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1445
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01861	0.3
55.05502	0.3
57.03426	0.9
61.02929	1.0
66.43688	0.1
68.99784	0.3
69.03407	0.6
70.58271	0.6
71.01337	0.3
73.02907	9.2
81.03413	0.3
83.08614	0.3
85.02899	1.1
93.03377	0.2
97.02869	0.4
107.08592	0.3
109.02874	0.4
110.06023	0.2
111.00789	0.6
111.04440	0.2
111.27122	0.2
111.41872	0.1
115.03914	1.2
121.02836	0.8
123.04385	0.2
127.03890	0.6
133.04948	0.4
136.45895	0.1
137.02312	2.7
139.03859	0.2
142.03319	0.2
147.04411	0.2
149.02336	0.4
153.01801	2.9
163.03915	0.5
165.01825	1.5
166.02585	0.2
173.06026	0.3
177.40593	0.2
178.73471	0.2
183.01363	0.2
183.02849	0.7
187.03949	0.2
191.14282	0.6
195.02888	0.3
201.05486	1.0
203.44168	0.2
209.15401	1.1
211.07063	1.0
213.68277	0.2
219.02875	0.3
229.04929	3.6
231.02832	0.2
247.06029	0.6
257.04401	2.3
258.05432	0.2
261.04053	0.2
274.04669	0.7
275.05481	0.3
285.03876	1.4
287.05435	1.7
288.05811	1.5
289.06082	1.5
297.07281	0.2
303.04944	100.0
304.05295	1.5
315.04733	0.2
351.97003	0.2
373.22418	0.2
399.07196	0.3
417.07916	0.2
435.09537	0.2
452.62549	0.2
459.12302	0.3
465.10220	15.2
530.45428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35344	0.3
50.38633	0.3
50.44374	0.3
60.91216	0.3
66.01228	0.3
70.06567	0.4
70.78151	0.7
70.78544	0.6
79.05476	0.4
79.10784	0.3
85.02892	0.5
97.02924	0.4
105.03392	0.6
123.04393	1.6
124.35082	0.3
127.59097	0.4
147.04372	0.6
150.52190	0.4
153.05449	0.4
161.67764	0.4
193.08612	1.1
247.09956	0.6
248.07021	2.1
249.07936	1.2
262.08710	1.5
263.06503	0.6
263.09445	3.2
264.10175	2.6
274.08582	0.4
275.09540	0.4
276.06543	3.9
277.07333	0.8
278.08072	2.0
282.11298	0.5
287.05664	1.0
288.06088	1.3
289.07159	0.6
290.08032	4.6
290.10941	0.4
291.08725	1.7
292.09622	43.1
293.10220	2.9
302.08093	0.5
306.11212	11.6
306.14664	0.7
307.11960	15.1
316.06201	0.5
316.09680	0.8
317.06894	0.5
318.07526	13.1
318.11240	0.8
328.09689	1.8
330.07632	1.7
332.09186	0.4
344.05496	0.5
344.09436	1.2
354.07455	0.4
358.10715	0.7
359.11484	0.8
367.10965	0.5
368.09415	0.8
370.10886	0.6
372.08591	2.5
384.12430	0.4
386.10272	2.4
387.10779	0.7
396.08670	1.1
398.09930	2.1
400.11908	0.5
409.09360	0.4
411.10910	0.5
412.11929	0.6
414.09650	19.3
415.10254	1.3
416.15103	0.9
426.09451	2.9
429.12003	11.2
430.12723	4.2
431.13873	0.4
444.14380	33.3
445.14771	2.1
566.14264	0.6
581.16803	0.7
596.19043	100.0
597.19434	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	596.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80558	0.3
61.90554	0.3
68.52028	0.4
69.03419	0.4
69.07025	0.4
70.28017	1.4
79.00076	0.3
81.03399	0.4
81.07055	0.5
85.02903	0.8
91.05468	0.6
97.02859	0.8
105.03414	0.5
106.18497	0.4
107.08601	0.4
109.02913	0.5
119.04908	0.9
121.02845	0.9
123.04427	1.2
127.03928	0.7
135.04361	0.6
136.07611	0.3
137.02319	1.8
137.05940	0.3
145.04897	0.6
146.10896	0.3
147.04387	5.7
148.04713	1.9
151.03951	0.7
151.50710	0.3
153.01802	0.7
153.05417	0.6
163.03900	2.3
247.09972	0.4
248.07040	1.8
249.07813	1.5
262.08655	1.9
263.09348	3.1
264.10129	3.3
272.09219	0.7
274.08621	0.5
276.06464	3.1
277.07172	0.8
278.08084	1.8
287.05472	10.9
288.05814	10.9
289.07202	0.7
290.08057	4.5
291.08856	1.5
292.09625	39.4
293.10220	2.1
301.07199	0.7
304.10141	0.4
306.11200	10.7
307.11957	14.5
316.06195	0.4
316.09525	0.5
318.07574	12.8
318.11325	0.7
319.07806	0.4
328.09650	2.5
330.07523	2.0
342.11288	0.6
344.09406	1.0
346.10794	0.6
358.10995	0.8
360.12213	0.5
368.09119	1.0
370.06976	0.8
371.07861	0.5
372.08539	3.1
384.12320	0.7
386.10184	3.1
387.11200	0.5
396.08859	1.1
398.10104	2.0
399.07172	0.7
400.11755	0.6
411.11151	0.6
412.11880	0.5
414.09671	20.5
415.10254	1.2
416.15182	0.6
426.09644	2.5
429.12036	11.9
430.12714	3.4
444.14365	34.8
445.14832	1.5
596.19061	100.0
597.19360	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	595.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05505	2.1
56.05001	0.7
57.07070	4.6
57.75599	0.4
62.91602	0.4
63.99633	0.4
67.05495	3.4
67.84645	0.4
68.04998	0.6
69.07061	3.4
69.91444	0.4
70.02942	0.9
70.06570	1.2
70.41522	0.8
70.41918	1.0
71.08624	3.1
79.05471	1.4
80.04982	0.6
81.03403	0.8
81.04517	0.9
81.07043	3.1
82.06570	1.0
83.08591	1.5
85.10171	1.9
88.07596	0.5
91.05466	1.2
93.07027	1.2
94.06575	0.8
95.04955	1.4
95.08588	3.9
97.03999	1.0
98.06060	0.4
100.03964	1.1
105.02733	0.7
105.03378	7.5
105.07025	0.7
107.02431	5.5
107.08554	1.0
109.10132	1.1
110.06030	0.7
115.05462	0.5
117.07004	0.4
120.04452	0.8
120.08916	0.4
121.06513	0.4
121.10131	0.4
123.05535	1.5
125.03409	0.5
130.06500	2.7
132.04436	1.3
132.08034	1.9
135.05515	0.6
144.08070	2.3
146.06004	1.5
146.72849	0.4
151.25461	0.4
156.08093	1.8
157.07588	0.7
158.05986	2.8
158.09644	2.0
160.07559	3.6
167.07237	0.6
168.08090	1.6
169.07587	1.4
170.05923	2.4
170.09621	0.5
172.07573	2.7
182.09721	0.6
183.09140	1.2
184.06169	2.8
184.07664	2.9
185.07074	8.7
186.09148	1.3
194.09631	0.6
195.09203	0.5
196.07645	1.7
199.12292	0.5
201.10176	0.7
202.08669	0.5
207.17529	0.5
211.08629	2.3
212.06941	0.5
213.10210	2.8
221.18826	0.6
223.08685	0.5
227.08218	1.4
227.11781	1.7
236.20186	0.9
241.09636	1.0
255.11049	0.6
257.09155	11.8
267.16037	0.6
268.16354	0.8
273.12259	2.6
283.26300	0.5
285.08688	0.7
299.10358	0.5
336.26114	0.7
339.20633	6.0
349.22864	0.5
353.22214	6.3
363.24136	0.4
367.23828	1.7
375.32504	4.9
381.25336	2.0
409.24625	0.5
411.22723	93.7
412.23157	2.5
425.24301	100.0
426.24661	3.1
427.25717	1.0
441.27530	0.6
529.18127	0.4
535.25555	0.5
595.28247	0.8
595.46851	0.9
595.57837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76420	0.4
57.07069	3.4
62.65211	0.3
67.05494	0.7
70.06262	0.4
70.06584	5.7
71.08614	2.0
71.10902	0.8
72.58539	0.3
77.18183	0.4
79.05424	0.5
81.03381	0.7
81.07033	0.5
85.10164	0.6
88.07100	0.7
88.07616	9.1
91.05455	0.8
93.07017	0.5
95.04950	0.6
95.08568	0.6
102.09180	2.7
105.07022	0.7
106.08646	4.6
107.08505	0.4
119.08530	0.4
131.08536	0.5
149.02307	1.3
162.90382	0.3
193.04910	1.8
201.23248	0.4
211.13251	0.7
212.23662	1.3
222.98672	0.3
225.10609	0.4
230.24786	0.4
237.07558	0.6
242.84047	0.4
256.26297	2.7
263.03891	0.5
274.27362	100.0
275.27667	4.1
287.05450	2.8
419.08054	0.6
555.20648	0.4
573.21332	0.6
595.32690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.05505	7.2
57.03429	7.4
57.07052	1.0
64.23221	0.7
65.03912	1.8
67.05495	32.1
69.03408	1.2
69.07060	6.9
70.06571	0.6
71.04986	1.3
71.81741	0.8
76.78964	0.7
79.05482	16.0
81.03404	3.7
81.07045	26.1
81.07527	1.3
81.30569	0.7
83.04970	1.2
83.08613	3.6
85.02903	1.4
91.05452	8.4
93.07028	17.5
95.04948	2.1
95.08594	23.7
97.06519	1.9
97.10166	0.8
98.98453	11.0
105.07013	6.0
107.08572	8.4
109.02843	3.1
109.10138	6.9
111.08040	1.0
112.89730	0.7
117.06977	1.4
119.08562	5.1
121.10149	7.1
123.08049	0.8
123.11674	2.4
125.09607	0.8
127.03988	0.9
131.08556	2.7
133.10097	3.8
135.11668	3.3
145.10110	1.4
147.11641	2.2
149.09616	1.0
149.13235	2.1
155.01018	1.5
159.11618	1.4
161.13243	0.9
163.14714	1.1
175.14726	0.8
203.03381	0.7
260.15445	0.6
261.03690	3.3
261.22083	1.9
287.05438	4.5
293.21097	1.5
335.07275	1.3
335.25763	100.0
336.20206	0.7
336.26080	2.1
595.37030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2065
Annotation	Cannabisin A
Peak:m/z	Relative Intensity
52.86787	0.4
53.03942	0.6
55.05506	0.7
57.07063	0.3
67.05499	0.9
69.07077	0.7
70.04977	1.9
79.05487	0.7
81.03413	1.2
81.07036	1.4
83.08611	0.5
84.09620	0.5
85.02886	0.7
91.05449	1.0
93.07030	0.6
95.04958	1.1
95.08575	1.0
96.69063	0.4
98.21331	0.7
98.98411	0.7
99.04424	0.5
103.05487	0.4
104.06262	0.7
105.03378	3.8
105.07024	4.5
107.04939	0.4
109.02912	0.7
109.10149	0.6
116.23080	0.4
121.02856	2.2
121.10139	0.5
127.03932	1.2
141.91527	0.4
145.10115	0.4
151.03847	2.0
154.05011	0.4
166.05017	0.4
166.08614	0.6
167.03394	0.6
176.03433	0.4
181.12279	0.4
182.07330	0.5
187.03912	0.8
210.06833	0.9
217.04871	0.7
230.87306	0.4
235.06224	0.8
236.04684	1.0
236.07077	0.7
238.06235	0.6
240.10233	1.1
247.06310	0.7
248.07002	0.7
248.09215	2.0
249.09578	1.3
254.08124	0.6
255.06514	0.7
263.05872	1.4
264.06656	1.7
265.07303	0.9
266.08096	1.2
267.05353	0.5
271.09564	0.5
279.06412	1.3
280.06198	0.8
287.05466	6.8
288.05878	0.5
292.06119	0.7
293.06854	0.6
294.07632	3.0
297.07590	1.2
298.10880	3.6
299.09033	2.9
308.09201	1.7
309.06693	0.8
309.09952	3.2
310.06998	3.3
311.09039	0.6
312.08710	0.6
314.07953	0.8
324.08548	2.4
326.10321	0.6
328.09534	0.5
329.10309	0.8
342.07797	0.9
344.09180	0.5
354.07516	0.6
355.08014	0.5
357.06271	0.6
358.07224	0.5
359.07874	0.7
360.08450	0.5
370.06824	0.6
371.08228	1.1
372.08731	1.1
373.09402	0.4
384.08151	0.5
386.10297	0.8
388.11966	0.7
389.08951	0.5
390.05933	0.9
401.09222	0.4
402.09457	0.8
404.07471	0.8
414.09509	0.9
416.11203	0.4
420.14142	0.5
431.09943	0.5
442.09100	1.0
446.12292	0.9
447.11844	0.7
463.08844	1.2
465.27295	0.5
474.12048	1.1
479.11783	0.5
502.15866	0.7
503.16013	2.4
505.16620	0.4
506.14355	2.0
507.15372	1.0
516.16724	0.5
517.17529	3.2
518.14966	0.6
519.15436	0.9
520.16400	2.1
521.17102	2.3
531.15631	1.1
532.15814	0.6
533.17181	1.1
534.18011	0.8
535.18866	2.5
545.16974	1.5
549.16461	4.9
551.18158	4.1
561.16479	1.4
562.17432	0.7
563.17999	7.4
564.18536	2.6
567.21216	5.4
577.19666	3.8
578.20477	1.3
595.20697	100.0
596.20966	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	595.1646
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
54.58038	0.9
55.01859	1.6
55.05494	2.7
56.35154	1.1
57.03421	8.7
67.95769	1.0
69.03409	5.9
69.84767	2.5
69.85178	4.3
71.01338	1.3
71.04980	61.0
73.02898	10.0
75.04455	3.8
80.86821	0.9
81.03413	1.3
83.04985	11.1
85.02892	74.0
87.04450	3.0
90.51827	1.1
91.81139	0.9
95.04961	1.6
99.04433	4.2
101.05981	1.3
109.02824	1.6
111.04421	7.6
113.05985	2.0
117.05479	8.2
127.03905	2.2
129.05453	24.2
137.02332	5.7
145.04915	1.0
147.06519	7.7
153.01788	2.5
153.05441	1.7
163.06017	13.2
165.01816	2.0
171.06499	1.8
183.02861	1.1
201.05402	1.5
229.04976	2.1
239.09093	2.9
257.04462	2.2
275.11276	1.3
285.03940	1.5
287.05521	2.9
303.04938	100.0
304.05215	1.8
315.04843	8.6
316.05914	1.2
327.04901	3.1
345.05991	17.3
353.06458	1.5
367.07983	1.2
369.05890	6.1
371.07788	1.3
395.07578	4.2
413.08572	13.7
431.09595	7.4
449.10709	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1648
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
57.03421	3.3
61.02901	2.5
63.99569	1.3
70.31307	7.3
77.83374	1.3
79.54810	1.2
82.05210	1.3
85.02871	5.8
85.44389	1.6
86.25378	1.2
91.05448	2.3
98.20663	1.9
103.03912	2.0
103.55582	1.3
108.99440	1.4
109.02833	2.7
115.05418	1.3
116.90654	1.3
119.04905	6.5
121.02846	27.7
121.17663	1.4
131.04921	1.4
145.02789	3.3
163.03903	2.7
177.01790	1.8
179.03354	3.0
189.01695	6.8
191.03371	5.4
195.02832	5.5
201.05411	1.7
203.03387	9.6
207.02782	7.0
209.04387	1.4
215.03294	1.7
217.04895	4.1
219.02826	5.8
221.04311	3.3
229.04889	3.4
233.04359	2.6
243.03009	2.1
243.06387	1.9
248.74098	1.5
255.02893	3.3
267.06647	3.3
268.07230	4.2
279.06381	3.8
280.07300	2.7
281.08081	4.5
283.05951	6.6
285.03925	2.1
287.05408	11.7
291.06308	1.9
293.07788	3.2
294.05200	18.8
295.05957	76.3
296.06546	6.0
297.07437	9.1
307.05972	42.2
307.09372	1.6
308.06787	12.7
309.07437	12.0
313.06973	4.9
319.05887	6.6
319.09283	2.1
320.06705	3.5
321.07513	24.9
322.08289	10.8
323.08948	3.9
325.07025	94.2
333.07452	7.5
335.05478	2.5
335.09039	16.2
336.06161	2.9
336.09805	2.2
337.07022	55.3
345.07504	3.5
347.08975	11.3
349.06970	31.2
351.08600	20.5
353.06265	1.6
355.08017	19.5
357.07285	3.1
361.06979	18.1
361.10925	2.9
363.08597	7.7
365.06226	2.1
365.10211	10.4
367.07953	5.8
373.06900	5.4
375.08365	8.8
379.08069	53.5
386.92188	1.6
387.08530	3.3
389.09906	5.3
391.08063	26.4
401.10190	2.6
403.07971	24.1
409.09119	42.9
415.08191	2.8
417.09622	2.0
421.09131	22.1
427.10239	36.9
429.09442	2.2
433.09381	4.4
439.10165	26.8
445.10010	6.5
457.11227	100.0
463.10315	4.2
469.09451	1.9
475.12265	23.7
481.11243	29.4
487.09872	3.9
493.11182	3.4
499.12296	18.7
505.11023	6.6
511.05627	2.4
511.12326	30.6
523.12152	22.9
529.13477	13.6
541.13330	29.5
559.06775	2.2
559.14410	28.6
577.15497	16.1
595.15948	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	595.1649
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
52.86892	0.1
68.99770	0.2
70.19871	0.5
71.04951	0.2
85.02851	0.2
111.00760	0.2
111.90319	0.1
115.05380	0.1
121.02833	0.5
123.04380	0.1
127.03861	0.2
129.06981	0.1
137.01280	0.1
137.02325	1.9
147.04333	0.2
149.02281	0.4
150.03061	0.2
157.06432	0.3
161.05945	0.3
165.01746	0.2
167.04630	0.1
171.04414	0.1
175.03899	0.1
175.07513	0.1
185.05977	0.6
189.05472	0.5
193.04988	0.1
197.47316	0.1
199.03847	0.2
203.03510	0.1
203.07036	0.2
213.05432	1.7
217.04819	0.1
218.60590	0.1
231.06509	0.5
241.04889	0.9
242.05737	0.2
259.05991	0.3
269.04382	0.4
287.05450	100.0
288.05765	2.1
294.05142	0.1
295.06137	0.4
302.54330	0.1
307.06006	0.2
308.06644	0.1
321.07758	0.1
325.06918	0.5
337.07047	0.3
349.07227	0.1
355.08249	0.2
379.07834	0.2
391.07999	0.2
409.09290	0.2
427.10526	0.1
433.11478	0.1
449.10782	2.1
457.11304	0.4
481.11316	0.1
499.11514	0.1
511.11774	0.1
523.12323	0.1
559.14490	0.1
577.15649	0.1
595.16547	5.4
596.16730	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1649
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03935	0.1
55.01855	0.3
55.05502	0.1
57.03426	1.8
61.02914	0.5
61.80090	0.1
68.99789	0.3
69.03419	1.0
70.66058	0.2
70.66451	0.2
71.01376	0.1
71.04980	9.8
73.02901	0.3
75.04463	0.4
81.03412	0.7
82.19418	0.1
83.04980	0.5
85.02890	14.0
87.04448	0.3
91.03946	0.3
97.02881	1.4
99.04443	0.2
105.03391	0.3
107.04925	0.2
109.02865	0.5
111.00789	0.4
111.04424	0.3
121.02022	0.1
121.02835	1.9
127.03889	0.9
129.05449	2.6
129.06920	0.1
133.02812	0.3
137.02342	0.5
141.06929	0.1
145.04918	0.7
147.04344	0.4
147.06482	0.7
153.01808	2.3
157.06465	0.2
161.06026	0.1
165.01831	1.2
171.04317	0.1
183.02879	0.8
185.05928	0.3
192.96245	0.1
203.07018	0.2
213.05437	0.8
231.06445	0.5
241.04921	0.7
243.06546	0.1
258.05203	0.8
259.05963	0.3
268.65527	0.1
269.04175	0.1
287.05441	100.0
288.05795	1.4
295.06012	0.2
325.07089	0.2
329.06491	0.2
349.06940	0.1
421.09128	0.1
439.10025	0.1
449.10587	0.6
481.11276	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1646
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
52.90101	0.2
53.03921	0.3
54.23489	0.3
57.03423	1.3
61.02916	1.6
69.03394	0.8
70.36309	0.5
70.36706	0.7
71.04981	7.3
73.02900	0.3
75.04425	0.3
81.03402	0.6
83.04974	0.7
85.02894	9.9
86.85491	0.3
87.04448	0.3
91.03913	0.8
97.02861	1.2
98.21346	0.3
99.04430	0.7
103.03891	0.4
104.59059	0.3
107.04932	0.5
109.02835	0.8
111.00771	0.3
111.04395	0.5
121.02852	2.9
127.03898	1.4
129.05463	1.9
135.04349	0.3
137.02307	0.7
145.04955	0.5
147.04378	0.4
147.06490	0.8
153.01817	1.9
163.03883	0.7
165.01839	1.3
183.02815	0.3
189.01822	0.3
195.02823	0.6
203.03250	0.4
203.84631	0.3
207.02888	0.5
213.05426	1.0
217.04869	0.6
221.04384	0.3
231.06479	0.4
233.89787	0.3
241.04933	0.7
257.04727	0.3
258.05252	1.1
259.05994	0.3
268.07242	0.3
271.05930	0.4
283.05966	0.9
287.05450	100.0
288.05817	1.0
293.08258	0.4
294.05243	0.6
295.05991	4.6
297.07581	0.7
307.05963	3.3
308.06723	0.8
309.04352	0.3
309.07578	1.1
313.06870	0.5
321.07581	1.8
323.05469	0.5
325.07037	4.2
335.09164	1.2
337.07019	2.0
347.09290	0.5
349.06888	1.8
351.08688	0.9
353.06418	0.6
355.08365	0.3
361.07047	0.7
363.08627	0.7
365.09958	0.4
367.07761	0.5
375.08527	0.9
377.06186	0.6
379.08160	0.9
391.08072	1.5
393.09683	0.8
403.07919	0.7
409.09225	1.3
421.09207	1.3
427.10214	1.1
439.10309	3.5
449.10620	1.0
457.11005	2.0
463.10373	0.4
475.11612	0.6
481.11096	0.9
493.11154	0.6
494.04752	0.3
499.11975	0.4
505.11014	0.7
511.12057	0.9
523.12311	1.9
529.13049	0.5
541.13507	3.8
559.14325	4.3
577.15527	1.1
595.16071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01855	1.1
57.03426	1.8
59.95657	0.6
61.02909	2.1
65.03923	1.7
67.01932	0.6
67.70389	0.7
69.03426	9.6
70.56144	2.2
71.04982	3.0
73.02909	3.6
81.03408	13.7
83.04953	1.3
85.02893	61.0
91.05466	57.7
93.37736	0.7
97.02876	22.5
99.04442	33.3
103.03928	74.5
109.02148	1.4
109.02863	23.5
115.03937	1.4
117.06978	0.8
119.04898	1.3
121.02837	2.8
121.68464	0.7
127.03899	100.0
128.04282	0.7
129.07013	2.1
135.70258	0.8
143.08542	1.3
145.04938	51.2
147.04395	2.0
163.05998	57.9
169.04941	1.5
171.08092	1.2
175.07552	1.7
180.08641	1.6
187.05981	9.5
187.07545	0.9
199.07515	2.9
203.03426	1.2
205.07050	4.5
209.08008	1.0
217.05038	1.0
217.08600	6.8
229.07082	1.0
235.09586	3.5
247.08167	1.3
253.07097	2.3
253.10651	3.7
271.08127	12.6
277.10599	0.9
283.06097	1.7
284.06430	0.7
287.05652	1.2
289.09103	13.2
294.05270	1.5
295.05994	9.8
296.06876	1.3
297.07657	2.0
303.05154	0.9
307.06052	6.4
307.10220	27.6
308.06955	1.1
309.07419	1.7
313.07016	2.1
319.05917	0.8
321.07672	5.4
321.10815	1.0
323.05545	0.9
325.07034	10.6
333.07489	0.8
335.09103	1.7
336.06323	1.1
337.07080	6.3
339.08441	1.0
347.09229	2.2
349.07156	5.1
351.08688	1.8
361.07144	2.1
361.12289	0.8
363.08749	1.8
365.10312	1.5
367.07990	0.9
375.08685	1.7
379.08258	1.8
379.13931	1.7
385.07455	0.8
391.08243	3.8
393.09695	2.6
397.11768	1.0
397.15228	6.2
403.07904	1.7
409.09198	2.0
415.12625	4.2
421.09006	5.0
427.10291	3.3
433.13403	3.9
439.10132	13.0
451.14450	2.4
457.11191	5.2
481.11154	1.6
505.11087	1.4
523.11853	5.4
541.13342	8.8
559.14386	12.6
577.15509	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35511	0.2
55.05460	0.3
64.85232	0.2
67.05463	0.3
68.66348	0.2
69.06997	0.2
69.81362	1.3
71.08572	0.4
79.05428	0.2
81.06983	0.4
95.08533	0.3
109.10081	0.2
118.35580	0.2
134.41859	0.2
209.10713	0.2
298.13562	0.2
313.27322	0.3
314.27539	0.2
352.17761	0.2
387.16058	0.3
388.16696	0.4
389.17731	0.9
390.18927	0.3
401.17816	0.4
402.18335	0.6
403.19247	2.2
404.19824	0.9
405.20776	1.3
406.21600	0.2
415.19400	0.4
416.15506	0.3
416.20172	0.5
417.21216	3.4
418.21649	2.2
419.22275	3.4
420.22723	0.3
421.23929	0.2
430.17795	0.6
431.18137	7.5
432.18472	1.9
432.23962	0.5
433.24008	7.3
434.24716	1.3
444.19141	0.4
445.19833	9.0
446.20654	4.1
447.21561	4.5
448.22360	0.4
449.23639	0.4
458.21066	0.3
459.21414	3.3
460.22485	10.5
461.23138	10.1
462.24045	0.3
473.23746	2.4
474.24182	0.6
476.25787	1.2
477.21817	0.3
477.27264	0.3
487.24713	0.9
488.25525	0.4
489.19006	0.3
489.26227	0.7
491.24374	0.8
492.25119	0.9
505.21741	3.4
515.24536	0.2
518.22943	0.7
519.23145	0.9
533.25397	42.1
534.25641	1.6
547.26953	0.4
561.24835	0.5
564.23456	0.6
565.28314	0.9
575.26282	0.7
593.27460	100.0
594.27716	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	591.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39296	1.1
52.49529	0.9
53.03927	2.5
55.05497	12.9
55.98605	0.8
57.03433	10.0
57.07067	37.3
63.59658	0.9
65.03918	1.9
67.05494	49.6
69.07053	14.9
70.90826	3.3
71.04970	2.5
71.08619	26.7
79.05477	29.6
81.07043	56.4
82.24347	1.0
83.04938	1.5
83.08607	11.8
84.82984	0.9
85.06552	1.5
85.10167	16.0
89.06009	1.3
91.05462	14.0
93.07029	34.7
95.04942	2.3
95.08589	51.9
97.06502	2.0
97.10152	6.6
99.08057	1.1
103.07556	1.7
105.07006	11.8
107.08573	23.6
109.06534	1.4
109.10139	23.7
111.11683	1.2
117.07002	5.1
119.08559	9.2
121.06551	0.9
121.10123	19.4
123.08028	1.4
123.11684	12.7
131.08546	12.6
133.10117	8.1
135.11661	13.4
137.13240	5.1
145.10088	9.1
147.11674	6.0
149.13237	10.8
151.14784	1.2
154.27374	1.1
155.14258	3.5
159.11664	7.7
161.13292	5.1
163.14801	5.1
165.47118	1.1
173.13258	9.8
175.14806	2.0
177.16324	2.0
187.14757	4.0
233.22501	2.4
239.23624	4.6
243.21083	11.6
255.29228	1.0
261.22098	55.8
262.22473	1.6
265.17944	2.5
279.23032	2.3
299.23474	1.7
313.27304	100.0
314.27673	2.8
317.24738	11.3
335.25751	67.0
336.26028	2.1
401.30304	1.9
404.18939	1.1
419.31708	1.7
573.48694	22.7
574.48541	1.8
591.49908	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	593.2747
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
62.20588	0.2
64.59602	0.2
79.07673	0.3
91.77158	0.2
98.20650	0.6
119.67046	0.3
132.83867	0.3
184.46851	0.3
230.04515	0.3
310.13309	0.3
324.14798	0.4
388.16913	0.4
389.17831	0.7
401.17905	0.3
402.18381	0.5
403.19223	2.2
404.20029	0.9
405.20654	1.4
415.18942	0.3
416.20383	0.5
417.16721	0.9
417.21378	2.8
418.21771	1.5
419.22375	3.1
430.17896	1.0
431.18011	6.1
431.23456	0.5
432.18698	2.2
433.24191	5.3
434.24667	1.0
444.19098	0.3
445.19876	8.1
446.20795	4.6
447.21622	4.8
459.21359	3.1
460.22504	10.7
461.23303	8.1
462.24429	0.3
473.23392	1.8
476.25827	0.4
477.22681	0.4
477.26401	0.3
487.24771	0.9
491.24283	0.8
492.25232	1.0
505.21997	5.5
506.22299	0.3
519.23883	0.6
533.25409	27.9
534.25977	0.8
547.27075	0.4
550.25659	0.4
564.23785	0.5
565.28131	0.8
593.27509	100.0
594.27887	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	590.462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20125	1.2
53.03926	1.8
55.05500	6.7
57.03425	14.3
57.07066	32.6
67.05494	13.3
69.03419	2.1
69.07054	7.7
69.55197	1.1
70.14559	4.2
70.14973	3.3
70.92374	1.2
71.04961	2.3
71.08613	27.5
74.82736	1.4
76.51549	1.5
79.05467	8.7
81.03399	67.2
81.07035	20.3
82.03702	1.4
83.04965	4.0
83.08605	19.9
85.10152	12.4
89.05991	3.3
91.05462	15.3
91.05969	2.2
93.07014	8.0
93.39053	1.4
95.04952	17.1
95.08585	23.9
97.02863	2.1
97.06537	1.8
97.10139	4.8
99.11723	1.5
105.07000	13.0
107.04920	4.0
107.08559	4.2
109.06471	4.0
109.10136	7.2
111.08029	5.6
111.11706	1.3
119.08556	10.7
121.06490	2.0
121.10115	5.0
123.11688	3.8
129.06972	5.3
131.08507	4.5
133.06404	1.6
133.10089	7.7
135.11653	2.9
137.09621	1.5
142.07784	2.1
145.10062	2.2
147.07916	2.2
147.11646	6.7
149.09587	3.5
157.10117	8.2
159.11636	1.7
175.11125	7.9
193.10521	1.6
193.12215	23.7
197.88081	1.3
211.13226	2.2
235.16782	1.6
239.23651	2.2
241.19620	1.9
242.20041	1.4
249.14804	2.7
259.20551	2.4
260.20856	2.9
267.15860	100.0
268.16205	1.7
313.27301	91.5
314.27548	4.1
321.22427	2.4
334.24557	1.9
373.74161	1.7
385.55612	1.3
505.38782	67.9
506.38879	2.3
509.27304	1.3
590.52771	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	588.446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	17.9
57.03420	11.8
57.07051	16.3
67.05476	14.0
69.07065	24.9
71.08611	11.0
71.83293	7.6
79.05475	5.0
81.03399	53.7
81.07022	27.0
83.04931	6.3
83.08601	26.0
85.02855	8.1
85.10160	5.7
88.12421	4.8
91.05447	9.6
93.07014	16.6
93.07576	5.0
95.04961	15.4
95.08575	16.8
97.10189	8.3
105.07005	13.6
106.68968	5.4
119.08565	8.6
121.10152	11.4
121.15271	4.8
130.10358	4.5
147.11635	10.1
149.09506	5.9
157.10115	7.0
175.11078	7.0
193.12202	10.7
228.06979	5.2
228.80371	5.6
234.18422	9.1
256.69373	6.0
267.15860	100.0
295.84326	6.2
311.25742	58.4
354.84872	5.4
421.55206	6.0
434.28983	9.2
503.37140	43.0
588.42114	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	589.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01870	1.6
55.05498	14.5
57.03426	10.5
57.07066	43.0
65.03921	2.1
67.05492	39.2
69.07054	16.0
71.04966	2.2
71.08622	28.0
71.48888	3.0
75.85307	1.4
79.05475	26.9
81.03405	11.0
81.07039	41.2
83.04986	1.5
83.08601	15.0
85.06535	2.5
85.10159	16.8
91.05460	38.7
93.07027	35.0
95.04951	6.5
95.08588	41.1
97.06510	2.7
97.10135	6.4
99.08071	3.6
99.11684	1.6
102.50739	1.4
102.94219	1.4
103.07565	1.4
105.07013	50.0
107.04939	1.4
107.08572	18.5
109.10141	17.7
111.08070	2.3
111.11652	2.1
113.09640	2.2
115.05512	1.6
117.07011	11.9
119.08565	41.2
121.10126	12.8
123.08007	2.8
123.11660	6.4
128.06143	2.1
129.06955	7.8
130.07733	1.6
131.08533	18.7
133.10104	29.3
135.08060	1.8
135.11668	13.6
137.09578	1.9
143.08539	6.5
145.10098	16.4
147.11661	37.9
148.11966	1.7
149.09604	3.2
149.13249	8.7
157.10130	10.1
159.11691	12.4
161.09550	1.6
161.13239	30.3
163.11159	2.9
163.14848	3.1
169.10188	1.8
171.11691	11.0
173.13203	9.9
175.11044	1.9
175.14775	14.3
185.13226	9.8
187.14841	1.9
193.12209	3.4
197.13110	1.5
199.14787	4.8
213.16455	2.0
215.18030	1.9
217.15926	1.5
231.21033	6.7
239.23663	3.6
241.19478	33.4
258.76736	1.5
259.20544	84.6
260.20877	3.3
267.15872	17.2
277.21710	3.3
280.79739	1.7
313.27310	100.0
314.27731	4.0
315.23248	7.0
320.22092	2.7
326.47546	1.4
333.24194	48.3
505.38773	15.8
571.47101	10.8
589.47992	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.7
55.05507	13.9
57.03429	9.0
57.07070	8.4
59.04988	2.4
67.05506	10.5
69.07063	18.0
69.98965	7.7
71.04983	2.2
71.08620	8.1
79.05479	6.2
81.03403	43.3
81.07058	11.1
83.04966	3.7
83.08604	23.4
85.10176	4.7
88.56599	1.3
91.05450	8.1
91.20793	1.5
93.01379	1.3
93.07021	6.7
95.04958	10.8
95.08607	6.7
97.06514	2.0
97.10144	10.9
97.14331	1.5
98.20683	2.6
105.07019	9.5
107.04904	1.9
107.08611	4.9
109.06464	1.5
109.10152	1.7
111.08068	3.6
111.11716	2.8
117.06991	2.1
119.08543	7.3
121.10118	5.0
122.45045	1.6
129.06987	4.8
130.04977	1.8
131.08534	5.5
133.10101	4.7
135.11697	1.8
137.09587	2.0
147.11690	3.4
149.09598	2.9
157.10106	6.4
163.11172	2.0
175.11145	7.4
193.12221	17.0
267.15884	100.0
289.03949	1.7
311.25769	51.6
466.89105	1.7
503.37201	35.9
543.76367	1.9
588.49176	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
56.05027	0.5
58.06601	0.4
59.07393	0.2
60.08150	5.9
65.02943	0.2
67.05486	0.4
69.07037	0.2
71.07356	2.5
71.78787	0.2
79.05475	0.3
81.07045	0.4
86.09686	28.8
87.10038	0.4
93.07029	0.3
98.98441	2.6
104.10716	2.8
107.08575	0.2
109.10135	0.3
119.08501	0.3
121.06541	0.2
123.08028	0.2
124.99974	19.6
135.08026	0.2
140.04425	0.2
143.00996	0.3
179.31256	0.2
184.07303	100.0
185.07713	1.2
227.19952	0.2
327.21378	0.2
392.72403	0.2
397.19727	0.2
419.58609	0.2
570.35742	1.2
571.36279	0.2
588.36536	4.9
589.36536	0.4
600.30890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70051	1.5
51.36454	1.4
53.03936	3.7
55.01857	7.1
55.05502	22.5
57.03425	12.6
57.07075	1.8
65.03918	3.8
67.05492	65.0
69.03405	2.3
69.07064	15.4
69.20087	1.9
71.01337	5.0
71.04985	3.8
71.81593	1.4
79.05479	48.9
81.03405	25.0
81.07036	58.2
83.04967	6.1
83.08582	9.9
84.08141	1.6
85.06529	2.9
91.05464	30.7
93.06429	1.6
93.07023	44.8
95.04948	63.7
95.08582	37.7
97.02808	1.7
97.06511	5.1
97.10159	7.7
105.07001	23.5
107.04939	13.7
107.08566	31.0
109.02859	12.8
109.06515	6.2
109.10133	18.3
111.04401	2.4
111.08082	4.9
111.11621	1.6
115.05379	2.8
117.06993	14.4
119.08559	18.1
121.06487	7.9
121.10116	19.5
123.04398	62.2
123.08031	4.9
123.11700	3.8
125.09612	6.7
128.06166	2.4
129.06993	9.0
131.08557	14.2
133.06497	4.1
133.10091	11.8
135.08029	5.9
135.11656	17.4
136.06111	8.4
137.05907	4.1
137.09608	1.5
137.13240	1.8
143.08524	6.9
145.06522	2.0
145.10098	23.0
147.08022	6.1
147.11681	9.1
149.05974	2.1
149.09619	2.8
149.13206	3.6
153.09109	6.6
153.55421	1.6
155.08530	4.9
157.10159	3.3
159.08043	1.6
159.11673	5.9
161.09622	2.9
161.13197	5.7
163.11159	20.2
163.14758	2.5
165.09221	1.6
165.12776	2.0
169.10127	2.2
171.08026	2.2
171.11659	9.6
173.09601	7.9
173.13225	4.7
175.14847	1.8
181.10143	2.9
189.12727	8.9
191.10664	3.7
199.11201	3.1
199.14807	2.1
207.13731	13.3
217.12160	9.9
223.13258	2.1
235.13240	78.7
236.13536	1.7
243.21082	2.2
250.08498	1.7
261.22171	7.9
273.14786	2.7
309.16888	53.8
335.25729	100.0
348.06781	3.3
394.72693	1.5
407.34628	1.8
458.39667	1.8
477.33521	3.4
495.34564	4.1
551.36975	3.3
569.38275	62.5
570.38287	3.3
587.39142	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	587.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74475	1.2
53.03936	4.5
55.01856	7.0
55.05502	24.6
57.03432	11.0
57.07058	2.9
59.43575	1.2
65.03929	5.2
67.05492	78.5
69.03413	1.6
69.07057	15.3
71.01347	5.0
71.04972	5.5
79.05013	2.2
79.05479	54.1
81.03403	27.2
81.07039	60.2
82.07362	1.3
83.04973	5.5
83.08603	11.4
85.06520	2.1
91.05463	32.7
92.40849	1.1
93.07026	51.5
95.04950	64.7
95.08591	42.0
96.28255	1.5
97.06522	4.4
97.10129	8.9
98.20617	2.5
103.05412	1.8
105.03416	1.5
105.07012	22.2
107.04936	13.5
107.08576	30.6
107.19225	1.1
109.02863	12.6
109.06531	6.7
109.10130	20.0
111.04435	2.6
111.08074	4.3
117.07011	13.1
119.08562	20.9
121.06485	6.9
121.10115	22.5
123.04408	61.1
123.08050	3.8
123.11699	5.4
125.05955	1.4
125.09599	7.1
128.06160	2.8
129.06967	10.6
131.08540	15.6
133.06448	2.9
133.10110	10.7
135.08015	5.9
135.11682	16.0
135.34724	1.1
137.05980	3.8
137.09586	2.3
139.03926	2.5
141.06949	1.6
143.08551	6.6
145.06459	4.1
145.10085	21.7
147.04433	1.3
147.08014	6.9
147.11623	9.4
149.05917	2.0
149.09598	5.1
149.13229	6.5
153.09061	7.8
155.08556	4.4
157.06421	1.4
157.10095	3.6
159.08051	1.5
159.11673	4.3
161.06020	1.3
161.09525	2.8
161.13237	4.7
163.11162	17.9
163.14790	2.0
169.10172	1.7
171.07994	1.6
171.11642	10.7
173.09616	9.7
173.13254	4.1
175.11066	1.6
175.14732	1.7
181.10020	1.5
187.14793	2.1
189.11192	2.1
189.12703	11.1
191.10660	5.0
199.11133	3.9
207.13728	13.3
217.12189	11.0
223.13185	1.5
235.13254	79.3
243.21063	3.4
253.14336	2.5
261.22128	7.2
273.14819	2.2
291.15955	2.9
309.16907	56.6
325.25192	2.0
332.73819	1.3
335.25742	100.0
336.26343	2.9
339.00928	1.2
459.32709	1.6
477.33606	3.1
495.34659	3.2
513.35834	1.9
521.64697	1.3
551.37323	2.4
569.38269	62.1
570.38275	1.6
587.39868	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	587.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
53.65651	0.4
55.01864	0.5
55.05493	1.2
57.07065	4.7
58.56635	0.4
64.44461	0.5
65.94363	0.4
67.05495	2.1
69.07047	1.1
70.38812	1.7
71.08621	2.4
79.05475	0.9
80.29728	0.5
81.07043	2.2
83.08605	1.1
85.10178	0.9
91.05464	0.9
93.07030	1.0
93.58245	0.5
95.04939	0.9
95.08593	4.2
97.10146	0.6
103.05434	1.3
105.07039	0.4
107.08548	0.7
107.81357	0.4
109.10135	1.6
110.02373	0.7
110.06025	0.6
115.05437	1.7
117.07021	0.5
118.06524	10.8
119.06810	0.5
119.08546	0.4
120.04424	0.5
122.06045	0.4
130.06506	100.0
131.06841	2.0
132.08098	0.7
133.91727	0.4
138.01808	0.8
142.06541	2.5
143.07277	2.3
144.08064	6.2
144.09134	0.6
144.85997	0.5
146.05988	23.3
147.06342	0.5
150.05458	0.8
158.06035	0.5
160.07529	0.5
162.05377	0.5
168.08134	1.3
169.07616	2.8
170.05983	12.5
176.54214	0.4
180.08012	0.6
184.07379	0.8
188.07043	22.2
189.07414	0.6
193.07414	0.4
195.09178	1.0
196.07585	0.5
206.08324	2.3
207.09131	1.1
215.08083	2.0
219.09158	2.1
220.09869	0.9
221.07069	0.8
221.10715	1.0
222.07843	0.7
222.26059	0.4
223.08679	2.0
231.09026	0.6
232.09967	1.1
233.10709	4.2
234.07811	0.8
235.08723	1.5
235.12383	0.4
236.07047	0.5
236.09418	0.5
237.10152	1.0
247.08661	3.1
248.09369	2.0
249.06578	0.6
249.10185	2.2
251.08136	2.2
252.09062	0.7
253.09627	0.6
259.08823	0.6
261.10196	6.2
262.10919	1.8
263.08905	0.6
263.11752	3.9
265.09628	0.7
267.07767	0.4
269.09158	0.6
275.08130	1.7
277.09665	1.1
278.10516	0.5
278.21011	0.5
279.08014	0.5
279.11096	1.9
281.09149	0.7
292.08377	0.9
292.19055	0.7
293.09134	3.0
295.10767	1.6
297.08633	0.7
305.09161	3.4
307.10751	7.4
308.11209	0.4
309.08609	0.6
313.08356	0.9
314.10205	0.7
321.08649	9.6
322.08975	0.7
323.10162	1.9
325.11832	1.7
333.08646	16.7
334.08984	1.2
338.23364	0.5
339.09756	3.9
341.11392	0.7
343.12924	1.0
351.09711	19.0
352.10001	0.9
369.10739	2.1
387.11719	2.7
400.23138	0.7
415.23660	0.8
433.24829	2.4
440.22379	1.2
445.28717	0.5
451.25717	4.8
461.24100	0.6
465.27435	1.5
469.26831	1.5
477.27539	0.6
479.25281	6.7
480.25580	0.5
489.27454	2.0
496.26910	1.8
503.25247	1.1
507.28632	2.9
515.25043	0.8
525.29352	1.7
533.26160	3.1
551.27393	1.6
569.28711	4.2
587.29553	28.5
588.29840	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	586.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53978	0.4
52.79064	0.4
55.05505	1.7
56.05029	0.7
61.02908	0.5
69.03416	1.9
69.07056	6.6
70.06538	0.4
70.71413	0.4
71.08622	0.7
71.80869	0.5
72.08146	22.9
78.04690	0.5
79.05471	2.3
81.03397	1.3
81.07037	3.0
84.04499	3.1
85.02896	3.8
86.09694	100.0
91.05459	0.8
94.51171	0.3
95.04961	1.1
97.02873	1.5
99.08080	71.6
99.93542	0.4
102.05520	8.0
103.05473	0.4
105.03347	0.6
105.07001	0.9
106.04108	0.4
107.04941	9.6
109.02856	1.0
117.06974	0.4
121.02862	0.8
123.04421	1.6
124.05178	1.8
125.05988	0.8
127.03896	1.0
128.06212	1.2
132.10158	0.7
133.06453	2.8
135.08017	0.8
137.02309	0.8
137.05942	0.8
138.09216	0.5
140.04652	0.6
143.08549	5.8
145.06432	0.9
145.10086	0.7
147.04404	0.7
151.03867	1.4
152.04637	1.3
155.07033	1.1
156.10118	0.8
157.10139	0.5
160.08881	0.7
161.05986	0.9
163.07515	1.2
167.07016	75.5
167.57245	0.4
168.07399	0.8
170.11749	1.1
171.08038	4.0
173.05984	0.4
174.06778	0.3
175.11128	3.1
178.04919	0.5
178.06319	0.6
181.08582	2.7
183.11282	1.4
185.16475	7.4
193.08569	0.8
195.10118	2.7
197.12863	0.8
199.18024	1.3
201.12340	2.7
203.10666	9.7
205.08743	0.5
206.07138	0.4
208.10989	0.9
213.15944	10.4
215.13889	22.2
220.10809	0.9
223.13292	3.5
229.11833	1.6
235.13261	46.4
236.13554	0.7
243.13374	42.9
245.18597	4.9
253.14316	38.0
265.08774	0.4
268.10883	0.7
297.18137	0.5
303.04868	0.8
314.20480	0.4
324.19006	0.5
326.24289	0.8
342.20193	34.6
344.25388	5.0
356.21719	0.9
410.26312	0.8
427.29156	4.0
455.28577	8.1
469.29922	0.7
473.29489	0.6
568.36987	0.9
586.17023	2.1
586.38037	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	7.8
57.07059	10.8
65.72374	2.4
67.05493	14.9
68.92965	2.4
69.03426	3.1
69.07048	8.6
69.55995	27.1
70.06564	3.1
71.08627	3.4
79.05490	15.3
81.07037	23.0
83.04943	4.8
83.08599	4.7
85.06544	4.8
89.06009	18.6
91.05452	26.3
93.07026	30.1
95.04948	8.1
95.08580	22.5
97.06525	5.0
98.21069	12.6
105.07002	45.5
107.04966	3.5
107.08579	26.8
109.06461	7.6
109.10113	13.0
117.07018	15.5
119.08562	59.1
119.29313	2.8
120.09320	3.3
121.06489	3.7
121.10126	15.6
123.08073	6.0
125.06035	3.8
128.06219	3.2
129.06987	11.1
131.08548	31.8
133.06491	4.5
133.08586	7.9
133.10089	31.1
135.08025	10.8
135.11691	10.3
137.09608	7.5
141.06946	4.2
142.07735	8.5
143.08540	21.5
144.09361	7.3
145.10081	39.6
147.08025	12.0
147.11664	11.9
149.09579	7.1
151.07588	2.9
151.54062	2.6
155.08545	12.7
156.09358	10.3
157.10097	40.0
158.10858	5.0
158.33699	2.5
159.07957	4.8
159.11659	24.0
160.08804	5.0
161.09645	5.5
161.13254	4.4
163.11153	7.3
165.06976	4.1
165.09093	20.8
165.12943	3.0
167.08545	7.1
168.09344	4.3
169.10120	13.7
170.10829	9.6
171.11652	23.2
172.12434	6.1
173.13208	15.6
175.11166	8.6
175.14822	9.8
177.11215	4.0
177.12758	4.7
179.08577	4.2
181.10068	7.0
181.12180	7.0
183.11720	17.7
184.12416	3.0
185.13220	15.9
186.13910	3.0
187.11174	3.1
187.14777	8.2
188.25084	2.7
189.12672	3.2
190.13518	5.6
193.10147	3.8
193.12212	4.0
194.10931	3.2
195.11693	11.3
196.12357	4.5
197.13213	14.6
198.13972	4.5
199.11165	4.4
199.14842	6.1
201.12698	5.0
201.16374	3.6
203.14256	14.3
205.15831	2.8
207.11696	9.4
207.13683	6.1
208.12425	3.5
208.14351	4.2
209.13239	13.9
210.13814	2.9
211.11127	5.5
211.14857	7.4
215.14211	5.0
221.13289	6.5
221.15315	38.9
222.13908	4.1
223.14821	11.3
224.15511	3.1
224.66605	2.7
225.16312	4.9
234.16162	10.1
235.14607	5.0
237.16342	3.4
247.16928	8.7
265.19608	2.7
281.19025	6.5
283.17404	3.5
286.19415	2.8
293.19095	3.3
299.20114	5.7
300.20691	2.9
311.29370	7.0
312.24469	4.0
325.21609	12.0
337.21277	7.7
352.23880	55.5
365.24612	9.9
371.22681	6.4
378.25418	2.9
391.25851	3.2
398.27887	3.6
404.30737	7.0
412.29926	12.4
438.03195	2.9
438.31195	11.7
489.33377	4.4
491.35126	14.1
492.35526	9.4
504.35898	100.0
505.35892	5.4
546.35986	2.9
584.42023	25.8
584.55847	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	584.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.7
55.05496	8.1
57.07060	12.3
58.81789	1.2
59.04978	2.4
60.78396	1.1
64.59557	1.1
65.03931	1.9
67.05491	12.6
69.03418	4.1
69.07057	9.1
71.08614	1.4
71.43351	2.7
71.43710	1.7
73.83046	1.4
77.03919	1.5
79.05473	14.5
81.07033	19.4
83.04969	3.9
83.08587	3.6
85.06522	4.5
88.62379	1.3
89.06012	4.2
89.47078	1.2
91.05460	29.2
93.07024	32.3
94.07836	1.3
95.04956	7.3
95.08580	20.3
97.06496	2.1
103.05430	1.9
105.04523	1.3
105.07011	47.8
106.07819	2.5
107.08569	29.5
109.06486	8.0
109.10121	11.6
110.29771	1.2
111.08080	2.9
113.37252	1.3
115.05392	3.3
117.06985	14.9
119.08559	62.1
120.09342	2.9
121.06488	5.2
121.10110	21.4
123.08058	10.4
123.11691	3.4
125.05975	4.0
128.06200	5.3
129.06979	12.8
130.07747	5.6
131.08543	29.9
132.09317	2.2
133.08588	3.1
133.09084	1.6
133.10103	29.3
134.10802	2.1
135.08070	6.5
135.11664	10.4
137.09590	8.9
139.07549	1.6
141.06985	4.9
142.07742	12.8
143.08519	29.7
144.09311	7.7
145.10100	41.9
147.08003	12.4
147.11667	12.0
149.09555	8.1
149.13182	1.4
151.07526	4.7
151.11151	2.1
153.06981	3.1
153.09148	1.2
154.07698	2.0
155.08539	10.7
156.09328	12.6
157.10110	39.3
158.10901	6.7
159.08055	3.5
159.11668	29.1
160.12323	2.7
161.09563	7.5
161.13275	7.1
162.10275	1.3
163.07587	1.6
163.11172	7.4
165.06992	1.8
165.09081	19.9
167.08533	4.2
168.09305	2.2
169.10085	15.8
170.10855	6.8
171.11687	23.0
172.12396	5.2
173.09554	6.0
173.13220	16.2
174.10274	1.4
175.11127	10.0
175.14786	7.4
177.12669	3.1
178.07745	1.6
179.08563	5.6
180.09308	2.9
181.10101	7.8
181.12175	6.2
182.10896	5.4
183.11647	19.1
184.12439	3.0
185.09612	2.8
185.13242	11.9
186.10526	1.4
187.11183	4.1
187.14764	6.1
189.12706	4.8
190.13463	4.5
191.10629	2.4
191.14249	1.5
192.09267	2.1
193.10324	6.0
193.12151	7.7
194.10834	4.0
195.11646	13.6
195.13428	2.1
196.09334	1.4
196.12427	3.8
197.09615	1.6
197.13231	12.9
198.13960	2.7
199.11183	3.8
199.14754	5.0
201.12691	5.5
201.16351	3.8
203.14337	11.6
205.15820	2.1
206.10912	2.4
207.11641	5.4
207.13762	6.7
208.12428	3.9
208.14568	4.8
209.13231	12.5
210.13835	1.9
211.11198	3.4
211.14772	6.9
212.11844	1.4
213.12724	4.1
213.16342	2.3
215.14307	2.5
217.15811	3.0
219.11673	2.8
219.13637	1.6
220.12338	1.7
221.13188	6.6
221.15273	42.8
222.13904	2.8
222.15854	2.0
223.11070	1.8
223.14713	8.5
225.12686	1.8
225.16287	3.4
227.14296	3.5
229.15756	1.5
233.13286	2.9
233.15294	1.4
234.14049	2.0
234.16148	7.8
235.14784	5.5
236.15546	1.4
237.12727	3.9
237.16264	4.7
239.17944	2.2
241.15823	2.6
243.13908	2.0
243.17780	1.4
245.13280	1.7
247.14812	2.3
247.16943	7.7
248.15373	1.6
249.16341	3.7
251.17912	2.2
255.17258	1.6
259.16885	2.0
261.16229	2.8
263.17868	3.5
265.19455	2.6
267.17322	2.3
271.17151	1.8
271.20447	2.1
274.19220	2.0
277.19409	1.5
279.17435	2.4
281.18942	3.7
286.19302	2.5
289.18790	1.6
296.21313	3.0
297.18454	2.1
297.21902	2.4
299.20062	9.8
300.28827	1.6
311.20007	2.7
311.29291	2.1
312.24304	2.1
319.20279	1.8
325.21637	8.8
337.21445	6.4
339.23325	1.7
352.23889	53.1
353.24359	2.5
365.24667	13.3
371.22858	1.9
378.25388	2.7
383.25864	2.0
397.27322	1.9
398.28049	5.5
404.30685	7.2
412.29608	13.5
425.30234	2.3
438.31226	13.1
489.33484	5.1
491.35150	11.0
492.35538	6.9
504.35883	100.0
505.36377	3.0
566.40900	3.0
584.41962	25.2
584.56097	6.6
585.42828	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
54.39492	1.5
55.01867	1.8
55.05516	8.4
57.07067	13.0
59.04967	3.9
65.03912	2.5
66.98499	1.6
67.05496	13.7
69.03405	4.1
69.07049	9.8
70.06567	2.7
71.04201	1.6
71.08620	4.0
71.83171	2.3
79.05132	1.6
79.05495	15.4
80.80054	1.5
81.07046	24.2
83.04973	4.9
83.08590	4.8
84.10458	1.6
85.06540	3.3
85.10177	3.2
88.07606	2.4
89.06007	13.0
91.05459	25.6
93.07023	34.9
95.04959	8.6
95.08597	23.6
97.06523	3.7
105.07015	48.8
107.08583	26.5
107.92742	1.5
109.06519	10.5
109.10132	11.5
111.08071	1.7
115.05426	4.3
116.06233	1.6
117.07005	13.8
119.07711	3.2
119.08567	58.4
120.09354	3.0
121.06491	4.3
121.10125	19.3
123.08067	11.0
123.11687	2.1
125.05984	4.1
125.09590	2.2
128.06200	4.8
129.07001	11.9
130.07751	5.7
131.08548	32.4
132.09325	4.0
133.06500	2.7
133.08618	8.0
133.10101	31.8
135.08066	9.9
135.11665	9.3
137.05968	1.8
137.09587	10.3
139.07529	2.5
141.06998	4.4
141.64059	1.6
142.07710	15.4
143.05753	1.6
143.08537	25.8
144.09296	8.1
145.06506	2.7
145.10109	43.4
145.11205	3.4
147.07999	12.6
147.11673	11.6
149.09567	7.3
149.13261	2.3
151.07495	5.5
151.11174	1.8
153.06958	2.1
155.08528	11.6
156.09315	12.0
157.10103	34.1
158.10924	7.9
159.08015	4.8
159.11665	25.3
161.09618	7.0
161.13269	7.3
163.11115	8.4
165.06944	2.4
165.09091	23.8
167.08592	4.3
168.09323	4.2
169.10089	17.2
170.10912	7.1
171.08081	2.6
171.11656	21.7
172.12465	4.9
173.09647	5.0
173.13223	14.2
175.11151	10.4
175.14807	9.4
177.11278	2.3
177.12750	2.5
179.08557	7.2
179.10556	1.9
180.09329	2.0
181.10120	9.8
181.12212	6.0
182.10878	7.3
183.11655	20.1
184.12260	2.6
185.09636	2.3
185.13206	13.5
186.14125	2.0
187.11163	2.6
187.14813	4.5
189.12752	5.5
190.13603	2.5
191.10556	1.9
193.10185	5.0
193.12202	7.1
194.10915	7.0
195.11720	12.8
196.12416	5.1
197.13255	14.6
197.19157	1.6
198.10451	2.3
198.13872	2.3
199.14795	5.6
201.12798	4.0
201.16374	3.7
203.14308	12.1
206.10939	2.4
207.11662	8.6
207.13805	5.0
208.12572	2.5
208.14580	3.4
209.13187	10.2
209.15073	2.1
210.13881	2.7
211.14813	8.0
213.12764	2.2
213.16359	2.8
217.15909	2.6
219.13733	3.0
221.13275	5.4
221.15308	50.9
222.15724	6.1
223.14696	8.9
224.15260	1.7
225.12749	2.7
225.16338	4.1
231.13794	2.1
233.13266	4.1
234.16071	7.0
235.14734	6.5
237.12776	3.7
237.16310	3.8
239.17874	2.3
245.13054	2.4
247.14671	2.6
247.16928	8.2
249.16397	2.2
251.17787	1.9
256.26077	2.5
259.16943	2.1
263.18024	2.8
265.19617	2.0
277.19257	2.0
281.19092	2.9
299.20135	9.6
300.29053	5.2
310.18948	2.0
311.29291	11.3
312.20911	2.0
312.24243	2.1
319.20438	2.3
325.21600	7.0
337.21628	6.2
338.26532	1.9
351.23181	2.0
352.23929	63.6
365.24686	9.5
371.22794	6.2
391.26120	2.1
398.28104	4.4
404.30664	6.0
412.29510	15.7
413.29413	1.7
429.71448	1.9
438.31281	15.4
474.34595	2.9
489.33578	4.5
491.35251	11.1
492.35757	3.5
504.35870	100.0
505.36017	2.0
549.39966	3.1
566.40710	4.8
569.39642	2.5
584.41840	24.8
584.55774	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	584.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01861	2.5
55.05497	12.6
56.05849	1.6
57.07059	7.1
59.04978	2.1
59.40354	1.6
59.96978	1.4
65.03928	2.4
67.05493	20.5
69.03401	4.7
69.07059	15.1
70.06583	3.7
71.08624	2.6
71.51073	4.0
76.06415	1.7
77.03918	2.1
79.05480	30.7
80.06271	3.1
81.07041	48.3
83.04967	5.4
83.08601	5.9
85.06524	4.5
88.07647	2.0
89.06058	1.9
91.05460	56.7
92.06274	3.4
93.07026	71.0
94.07313	2.0
94.07862	1.9
95.04943	37.7
95.08589	35.1
97.06481	2.7
103.05462	4.1
104.06217	2.1
105.07012	100.0
107.04953	2.8
107.08575	48.1
109.06511	5.8
109.10123	16.1
111.08029	1.7
115.05434	7.4
116.06213	1.7
117.07003	28.7
118.07766	2.0
119.04940	2.4
119.08559	99.2
120.09444	3.6
121.06494	6.5
121.10122	40.4
123.08034	20.1
123.11699	6.4
125.09651	2.3
128.06183	14.6
129.06989	23.2
130.07780	10.1
131.08543	51.7
132.09300	5.7
133.06459	6.2
133.10106	46.6
134.10922	2.6
135.08043	13.7
135.11667	21.6
137.09636	4.9
138.10371	8.5
139.11148	3.7
141.06970	11.4
142.07765	22.8
143.08540	51.5
144.09361	15.1
145.06462	5.3
145.10101	89.5
146.10684	4.1
146.32610	1.8
147.08032	7.3
147.11665	28.7
148.08836	2.5
149.09621	10.2
149.13258	3.9
151.11145	3.6
153.07001	3.5
154.07707	2.9
155.08504	30.4
156.09322	18.1
157.10107	55.3
158.10825	8.7
159.08064	6.0
159.11676	42.3
160.12210	2.4
161.09531	8.7
161.13269	9.9
163.11183	4.6
165.06940	8.2
166.07733	5.1
167.08557	14.9
167.10661	10.8
168.09322	10.8
168.10895	3.7
169.10115	38.7
170.10893	10.1
171.11662	35.8
172.08803	1.8
172.12381	4.8
173.09596	4.3
173.13235	29.0
174.13850	2.4
175.11133	4.9
175.14833	11.2
176.15140	1.7
177.12746	2.6
178.07753	2.4
179.08537	15.3
180.09314	8.8
181.10098	24.7
182.10912	8.0
183.11641	31.2
184.12491	7.7
185.09564	2.0
185.13226	16.7
186.14046	3.6
187.11217	4.7
187.14795	9.1
189.12712	7.5
191.14302	11.4
192.09358	6.5
193.10120	20.8
194.10846	9.2
195.11664	28.5
195.13321	2.9
196.12419	10.6
197.13231	25.5
198.13852	4.1
199.11201	4.7
199.14760	10.6
201.12738	4.8
201.16426	5.5
203.14355	5.8
205.10136	5.1
206.10788	9.0
207.11671	21.3
207.13615	2.6
208.12358	9.4
209.13205	24.3
210.13928	5.8
211.11111	3.9
211.14778	17.4
212.15527	2.4
213.12648	4.0
213.16360	5.0
215.08716	1.6
217.10103	3.1
217.15770	3.3
218.10878	4.0
219.11655	8.7
220.12408	6.4
221.13222	15.3
221.15286	3.4
222.13914	3.8
222.15794	2.4
223.14761	18.5
224.15446	4.6
225.12807	4.1
225.16327	12.3
226.17145	2.3
227.14357	2.7
227.17801	2.7
229.57195	2.0
231.11751	3.8
231.17451	1.9
232.12440	3.7
233.13292	9.6
234.13936	4.1
235.14787	12.0
236.15453	3.2
237.16322	10.9
238.16895	1.8
239.14244	2.8
239.17880	5.4
241.15776	3.9
241.19540	2.3
243.11819	3.0
243.17422	1.9
244.12294	2.1
245.13319	5.7
246.13899	3.7
247.14778	8.8
248.15553	3.5
249.16354	9.6
250.17136	2.9
251.17874	10.5
253.15764	3.3
253.19475	3.4
255.17340	3.4
256.26361	1.8
257.18927	2.8
258.14111	1.9
259.14722	4.1
260.15619	2.6
261.16333	9.1
262.17096	3.2
263.17877	8.4
265.19507	6.2
267.17435	3.8
267.21048	2.3
269.18869	5.2
271.20435	3.0
272.15579	1.8
273.16336	3.7
274.16962	3.3
275.17896	7.4
277.19458	4.9
279.17444	2.3
281.18942	6.9
282.19781	2.0
283.20538	6.1
283.26288	2.6
285.16074	2.5
285.22269	2.0
287.18057	1.8
289.19409	1.8
291.21014	3.2
293.18936	1.8
295.20511	3.3
300.29022	6.4
303.21021	4.8
305.22620	2.8
311.29425	10.0
317.22525	2.1
318.23517	3.0
319.20483	2.7
319.24066	3.1
321.22095	4.0
323.23639	7.8
324.24515	3.1
333.22263	1.9
335.23724	2.8
336.24533	3.6
337.25156	6.8
347.23575	3.0
349.25446	2.5
354.25491	5.7
356.67450	1.8
359.23541	2.9
413.28305	4.1
428.30460	3.2
446.32001	7.8
461.34250	4.1
492.35858	12.4
505.73062	1.8
530.25830	1.7
566.40735	4.1
584.41986	40.4
584.55927	25.6
591.15967	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21283	0.2
54.94003	0.2
55.01854	0.5
57.03411	0.4
61.02909	0.3
69.03415	0.4
71.04981	0.3
71.81651	0.2
74.09750	0.2
77.03929	0.3
79.05474	2.3
80.01630	0.2
81.03403	0.5
81.07007	0.3
84.08110	0.4
85.02895	1.7
91.05459	1.5
93.07008	0.4
95.04957	1.5
97.02898	0.5
103.05445	2.4
105.03372	0.4
105.07016	6.1
106.08763	0.2
107.04935	26.2
107.08566	0.5
108.05289	0.3
109.02849	0.3
115.05432	2.5
117.07006	0.6
120.05650	0.5
121.06461	0.4
123.04403	0.3
124.05180	0.4
125.05975	0.6
127.03948	0.4
130.82153	0.2
131.04906	0.6
133.06485	3.1
135.08032	9.5
137.05901	0.4
139.03883	0.3
143.06070	0.3
145.07593	0.5
147.04349	0.4
151.03876	0.4
154.06215	2.3
161.05951	5.8
163.07512	16.8
164.08116	0.2
165.05457	0.4
167.07011	15.6
180.07697	3.3
193.08580	8.2
195.10133	100.0
196.10445	1.4
199.74164	0.2
233.11752	0.3
240.10146	0.2
272.06403	0.4
350.26569	0.2
387.17892	0.3
439.06335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
53.99354	0.2
55.01849	0.6
55.05497	0.3
57.03415	0.4
57.71541	0.2
57.95283	0.2
61.02914	0.2
65.03933	0.2
67.05496	1.5
68.05824	0.2
69.03410	0.7
69.10645	0.2
70.06583	0.2
71.81399	0.3
77.03919	0.2
79.05476	3.3
81.03419	1.2
81.07041	0.7
83.08594	0.2
85.02883	1.2
85.06512	0.2
91.05486	1.7
93.07007	0.4
94.04166	0.3
95.04984	1.0
95.08595	0.4
96.89438	0.2
97.02887	0.8
97.06509	0.2
99.04431	0.2
103.05455	2.0
105.07018	16.3
106.07315	0.3
107.04932	1.9
107.08577	0.3
109.02866	0.6
109.06498	0.7
109.10150	0.9
110.10494	0.2
111.04416	0.3
115.05410	1.0
117.07014	0.4
118.04138	2.0
119.04897	0.8
119.08579	0.3
120.05682	0.5
121.06459	0.7
121.10184	0.2
122.03604	0.3
122.07245	0.7
123.04400	0.2
123.08092	0.2
124.05199	0.3
127.03873	0.4
131.04939	0.2
132.05678	0.6
133.06471	13.7
134.07205	0.5
135.04398	0.7
135.08047	2.2
137.05959	6.0
137.09575	0.2
144.06561	0.3
145.04884	0.2
145.57214	0.2
147.04381	0.3
147.08043	0.3
148.05115	0.8
149.05945	0.3
150.06734	5.3
150.07965	0.3
151.07477	0.2
155.12056	0.2
161.05933	0.5
162.07593	0.5
163.07516	0.8
163.55391	0.2
165.09094	12.1
167.06989	0.3
175.07478	0.3
177.05527	0.3
178.06247	0.7
178.93973	0.2
180.08658	0.6
193.08582	100.0
194.08952	1.6
195.10095	0.9
211.09587	0.4
212.13792	0.2
227.12604	0.2
235.73357	0.2
265.08597	0.2
281.03979	0.2
327.04810	0.7
355.15210	0.4
542.42261	0.2
584.31134	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64361	0.6
53.03923	1.6
55.01883	0.5
55.05504	0.7
57.03431	0.4
57.08486	0.5
59.04983	1.2
60.04519	0.7
61.02915	0.9
63.53661	0.5
65.03931	1.0
67.05491	0.8
69.03417	1.9
69.07072	3.6
70.70681	1.7
78.04698	0.7
79.05476	3.7
81.03400	0.9
81.07051	0.7
83.04945	0.6
85.02902	6.8
90.95376	0.6
91.05447	3.5
93.07015	2.5
95.04373	0.9
95.04956	11.3
95.48444	0.4
97.02879	2.5
97.06512	0.8
103.05440	2.2
105.03378	1.2
105.07021	4.8
107.04941	26.5
109.02825	0.9
109.06493	1.1
110.03674	0.5
111.04462	0.7
115.05419	1.5
117.06998	2.3
119.08552	0.6
120.05652	0.7
121.02861	2.2
121.06493	4.6
122.03686	0.6
123.04414	13.5
124.05229	3.0
125.05965	1.6
127.03890	1.2
128.06194	1.3
129.07002	1.3
130.07770	4.3
131.04849	0.6
131.08554	1.8
133.06480	1.0
135.08028	4.9
137.05962	4.3
139.07561	0.6
140.04659	5.5
142.07780	0.6
143.08546	7.6
144.06577	1.0
145.04932	1.8
145.06511	2.5
145.10106	22.4
147.04382	1.1
147.08028	1.8
149.05962	1.3
151.03877	1.8
152.04617	1.0
153.05392	1.0
154.06207	1.0
155.06999	6.5
155.08522	6.0
157.06500	0.9
157.17053	0.5
158.07256	20.2
159.08075	3.6
161.05968	2.1
162.07603	2.0
163.07526	6.2
163.11145	1.2
166.06236	1.7
167.07019	100.0
168.07375	1.9
171.06564	1.2
171.08034	1.1
173.09596	42.6
174.09967	1.2
175.07532	3.9
177.09071	0.8
178.06299	1.5
179.06976	0.9
180.08849	3.3
181.04953	16.4
181.08569	22.9
183.06525	9.8
183.09172	1.9
184.07109	0.6
186.06699	3.9
189.09055	2.8
191.10625	5.0
192.07796	2.4
193.08629	2.6
194.09294	1.1
195.10149	17.3
201.09088	78.5
202.09396	1.7
207.10136	1.6
209.08144	0.6
210.08841	1.0
211.09651	1.1
218.09322	1.6
219.10150	18.8
221.11746	1.1
223.13217	2.7
233.11699	78.6
234.12053	2.7
240.10223	0.8
248.08392	0.7
251.12756	96.3
252.13145	2.6
278.08008	1.8
355.15237	1.2
387.17987	10.4
405.19055	12.9
416.23285	0.5
437.05020	0.6
492.17526	0.7
578.53864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03930	1.6
55.01861	0.8
56.95702	0.6
57.03413	0.8
59.04989	0.7
60.04526	0.7
61.02222	0.5
61.02875	0.5
62.14780	0.5
67.05490	1.2
69.03414	2.3
69.07048	4.6
69.93442	1.6
69.93871	2.1
71.04948	0.6
78.04691	0.9
78.63420	0.5
79.05476	5.1
81.03379	1.2
81.07050	0.8
85.02888	8.3
87.04434	0.7
91.05441	3.0
93.07023	2.9
95.04948	9.5
97.02869	2.9
97.06530	1.0
98.20623	0.6
103.05449	1.7
105.03377	5.6
105.04463	0.6
105.07021	4.9
106.03611	1.0
107.04933	26.6
108.05274	0.8
110.03606	1.0
114.40487	0.5
115.05415	2.1
117.07001	2.2
121.06503	3.5
123.04410	13.4
124.05164	2.4
125.05962	2.0
127.03878	1.5
128.06181	1.3
129.06956	1.0
130.07756	3.2
131.08551	2.9
135.04391	1.0
135.08035	4.4
137.05928	3.4
138.03059	0.5
140.04674	4.1
141.07007	0.6
143.08537	7.5
144.06599	1.0
145.04953	1.6
145.06413	1.9
145.08932	1.1
145.10101	23.3
147.04416	0.9
147.08011	1.5
149.05914	1.3
151.03882	1.4
152.04652	2.2
153.05479	0.8
153.06853	0.6
155.07005	8.7
155.08488	3.8
157.06345	0.8
158.07242	18.0
159.07959	2.5
161.05959	1.2
162.07578	2.2
163.03796	1.3
163.07524	5.5
163.11137	1.9
166.06259	1.9
167.07008	100.0
168.07332	2.5
171.06509	0.7
171.08052	0.9
173.09590	44.6
174.09880	1.1
175.07510	1.9
177.05396	1.1
178.06219	1.6
178.47128	0.6
180.08849	2.8
181.04944	15.6
181.08562	25.4
182.08791	0.7
183.06494	9.3
183.09175	1.9
184.07173	0.7
186.06744	4.0
189.09056	2.4
191.10629	4.1
192.07776	2.5
193.08511	1.9
195.10147	12.7
201.09073	80.9
202.09433	2.3
207.10133	1.8
211.09627	1.1
218.09325	1.9
219.08574	0.6
219.10121	16.2
220.10609	0.6
221.11601	0.9
223.13277	3.0
233.11687	79.2
234.12061	2.7
251.12740	93.5
252.13158	2.6
252.15369	0.6
266.08795	0.6
271.11523	1.0
283.09491	2.3
284.09906	1.9
297.11319	0.7
298.11636	0.7
355.15277	1.3
387.17932	11.9
405.18988	12.8
409.53723	0.7
431.16489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02354	0.5
67.05490	0.7
67.33614	0.4
79.05481	0.6
81.07037	0.5
89.03907	6.4
89.94126	0.5
91.05465	2.1
97.66846	0.4
103.05453	0.7
105.07043	0.5
107.04893	0.6
115.05450	0.7
116.06181	0.6
117.03359	19.2
117.07030	0.6
123.04393	0.5
128.06192	1.6
129.06985	4.8
131.08556	5.8
133.06488	1.0
134.03607	1.5
135.04382	1.8
137.02277	1.0
137.05965	3.1
141.06929	2.2
143.08530	0.8
144.05692	1.6
145.02824	44.0
145.06444	1.6
147.04399	0.6
149.05974	7.3
151.07533	0.9
153.06989	0.6
156.05673	0.8
157.06474	1.9
158.07320	0.5
159.08023	9.4
161.05946	1.1
161.08388	0.5
161.09552	3.0
165.64073	0.4
167.07034	0.9
169.06366	0.6
169.07635	0.6
170.07233	1.9
171.08011	1.8
172.05197	0.7
173.05940	1.0
174.06824	0.5
175.07481	0.7
177.05438	68.9
178.05676	0.5
184.05171	0.5
186.05469	1.6
187.07510	7.2
189.05412	0.7
189.09091	3.0
193.08577	0.8
198.06734	0.6
199.07533	1.4
201.05415	0.5
203.03322	0.6
203.07050	0.9
204.07796	4.5
205.08478	0.8
206.09442	0.6
216.07726	1.7
217.08687	0.5
219.10159	2.4
221.11658	1.7
229.97289	0.5
231.10150	4.6
237.22644	0.5
249.11183	100.0
250.11539	1.5
283.09497	0.6
345.72952	0.4
355.15265	1.5
425.15811	2.7
438.16153	0.5
445.14667	1.0
462.15305	0.6
463.15500	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
55.01857	1.5
55.05497	4.6
57.07072	6.1
59.04982	3.9
65.03915	1.7
67.05489	13.4
69.03409	8.1
69.07054	7.7
70.33530	2.7
71.08580	1.5
79.05482	9.9
81.03371	1.1
81.07038	22.3
83.04947	2.6
83.08608	3.4
85.06525	3.4
91.05459	20.9
93.07024	28.4
95.04944	7.8
95.08588	17.5
97.06512	2.6
99.18803	1.0
104.65144	1.3
105.07007	35.3
107.08570	22.9
107.09228	2.0
109.06492	6.9
109.10133	14.2
111.08050	5.1
115.05463	1.7
117.06990	7.7
119.08555	43.1
121.06508	3.8
121.10117	20.5
123.08044	14.6
123.11711	3.3
125.05969	1.8
128.06189	3.4
129.06978	5.3
130.07753	3.1
131.08545	15.0
133.06488	2.6
133.10107	26.9
135.08034	8.6
135.11682	10.6
137.09578	18.2
139.11209	1.4
141.07008	2.2
142.07761	6.6
143.08524	14.0
144.09288	3.4
145.06439	1.3
145.10098	28.2
147.08012	18.5
147.11638	7.4
149.09633	4.4
149.13162	1.4
151.07494	10.6
152.91621	1.0
155.08492	7.2
156.09344	5.4
157.10098	18.7
158.10860	1.6
159.08028	2.2
159.11659	15.7
161.09615	5.0
161.13246	5.9
163.11174	5.0
165.06906	3.1
165.09087	43.0
167.08595	4.2
168.09319	2.7
169.10072	10.9
170.10899	3.7
171.11670	12.6
173.09683	1.6
173.13222	8.7
175.11192	2.2
175.14812	7.8
177.12758	1.6
179.08537	3.1
180.09192	1.5
181.10144	6.4
181.12198	5.2
182.10887	3.5
183.11661	10.4
185.13199	9.0
187.11197	1.4
187.13330	1.5
187.14757	8.5
189.12738	4.2
191.14326	1.4
192.09225	1.9
193.10112	4.1
194.10991	1.9
195.11678	7.0
196.12460	2.6
197.09674	1.1
197.13231	7.1
199.14767	2.5
201.16379	1.8
203.14296	17.5
205.10179	1.4
206.10898	2.7
207.11661	5.0
207.13789	4.7
208.12447	2.7
209.13286	8.0
209.15091	1.9
210.14044	1.1
211.14856	5.2
213.12730	1.8
213.16495	1.4
219.11736	2.7
220.12379	1.5
221.13326	4.1
221.15315	100.0
222.15773	1.8
223.14795	3.8
225.12695	1.2
225.16388	1.5
233.13208	2.7
235.14714	5.1
237.16325	3.1
239.17856	1.7
247.14793	2.7
249.16359	1.9
251.17844	1.9
257.19095	1.1
263.14499	1.4
263.17831	1.7
265.19620	1.6
271.20642	1.2
281.18954	1.3
283.20474	2.4
287.20032	2.9
299.20251	2.8
311.20114	1.3
325.21484	1.9
352.23889	3.2
357.25827	1.4
365.24719	2.3
377.24875	1.3
411.28979	2.0
473.33823	6.6
491.35208	15.3
503.35318	4.1
565.39923	6.4
583.41302	44.2
584.41852	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	583.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58546	4.4
53.03932	5.9
55.05487	12.0
57.07050	13.1
59.04984	5.8
67.05490	18.3
69.03403	8.1
69.07037	16.2
70.03387	14.9
70.03790	11.2
79.05471	13.6
81.07048	33.2
83.04940	9.0
83.08591	4.8
85.06521	6.5
89.05996	12.0
91.05452	40.0
93.07021	39.4
95.04925	15.1
95.08581	40.3
105.07017	68.0
107.08572	36.1
109.06479	7.8
109.10114	19.3
117.06992	12.9
119.08569	75.5
121.10107	42.6
123.08003	11.3
123.11697	7.7
128.06215	9.0
129.06967	12.3
130.07724	5.7
131.08543	30.6
133.10103	36.1
135.08022	16.9
135.11664	20.2
137.09602	13.4
141.06908	8.0
142.07730	18.8
143.08537	31.7
144.09294	6.0
145.10110	52.3
147.08003	20.6
147.11679	23.9
149.09612	5.3
151.07536	5.8
155.08508	13.1
156.09320	15.4
157.10129	41.1
158.10864	9.3
159.08014	5.6
159.11636	23.0
161.13231	10.4
163.11124	10.5
165.06969	7.1
165.09081	39.2
167.08514	8.8
167.10678	10.8
168.09322	9.7
169.10072	21.4
170.10744	6.0
171.11694	25.8
173.13228	19.4
175.14751	9.4
179.08527	12.8
180.09308	5.3
181.10054	16.1
182.11073	6.7
183.11653	19.1
185.13234	17.5
187.14746	6.9
191.14206	5.4
193.10081	13.7
194.10780	6.8
195.11620	15.7
196.12405	10.2
197.13272	19.2
199.14796	9.3
203.14230	13.0
207.11578	14.0
207.13719	8.2
208.12456	5.2
209.13205	20.4
211.14743	8.3
217.15955	6.3
221.13284	11.3
221.15300	83.2
223.14729	7.0
231.11635	6.6
233.13184	7.6
235.14818	7.5
239.17993	6.9
241.15791	5.7
247.14670	5.9
249.16385	7.8
257.18927	5.6
260.15491	6.0
261.16223	7.6
275.17801	11.3
277.15848	5.0
283.20514	9.6
328.43076	5.1
349.25235	5.9
365.24493	5.6
473.33939	10.0
491.34619	9.2
503.34836	8.4
565.40167	13.8
583.41443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.414
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
53.03931	1.9
55.05505	4.4
57.07071	4.8
59.04980	2.0
65.03922	1.2
67.05492	10.8
69.03425	4.4
69.07066	5.0
71.39712	1.6
75.01389	0.7
79.05478	9.5
81.03387	0.8
81.07044	13.6
83.04946	1.7
83.08601	3.2
85.06525	2.9
91.05466	15.8
93.07030	25.5
95.04951	5.6
95.08597	19.6
97.06516	2.2
99.04462	0.8
103.05460	1.4
105.07014	26.0
107.04926	0.7
107.08578	17.4
109.06499	5.4
109.10150	9.1
111.08073	1.1
115.05442	1.7
117.07018	5.8
119.08562	26.4
119.09390	1.5
121.06486	1.8
121.10121	16.8
123.08047	13.0
123.11694	3.0
125.06075	1.2
125.09631	1.0
128.06221	2.9
129.07028	4.7
130.07773	2.2
131.08546	12.8
133.06467	2.6
133.10109	16.0
135.08034	5.8
135.11673	6.2
137.09599	6.9
139.11150	1.4
141.06985	2.4
142.07765	8.0
143.08531	12.8
144.09299	2.7
145.10106	18.9
147.08028	12.5
147.11650	5.9
149.09624	2.2
151.07518	15.6
151.11102	1.3
153.06952	1.2
155.08521	7.3
156.09309	6.3
157.10110	21.5
158.10867	2.3
159.08069	2.3
159.11670	12.2
161.09599	3.3
161.13278	4.7
163.11177	3.4
165.07013	1.8
165.09085	25.5
165.10393	1.3
167.08578	2.9
167.10635	1.2
168.09290	2.0
169.10110	8.1
170.10912	4.4
171.11674	12.6
172.12350	1.0
173.09668	1.7
173.13251	6.9
175.11194	1.6
175.14839	3.4
177.09032	0.8
179.08514	3.9
180.09317	1.4
181.10054	5.9
181.12213	2.1
182.10898	3.6
183.11691	9.0
184.12460	2.4
185.13243	9.1
187.11183	1.4
187.14819	3.3
189.12709	5.5
191.14348	1.7
193.10120	6.1
193.11821	1.2
194.10860	4.7
195.11693	9.8
196.12473	2.5
197.13222	9.0
199.11159	1.0
199.14816	4.1
201.12634	1.1
201.16344	1.4
203.14299	11.1
205.10176	1.2
206.10826	2.1
207.11685	6.6
207.13818	5.4
208.12451	2.6
209.13251	10.5
210.13895	1.1
211.14796	4.9
212.15544	1.1
213.16347	1.9
215.14195	0.9
217.10175	1.0
217.15900	1.0
218.10910	0.9
219.11668	3.3
220.12419	2.2
221.13237	6.3
221.15295	41.1
222.13972	1.8
223.14801	4.9
224.15643	1.0
225.12759	1.5
225.16370	2.4
227.14211	0.9
231.11577	2.2
231.17487	1.8
232.12427	1.4
233.13251	2.8
233.15335	1.3
234.14069	1.7
235.14729	4.1
237.16423	3.2
239.17952	1.6
243.11772	1.4
245.13231	1.8
246.14001	1.2
247.14757	2.6
248.15460	1.2
249.16438	3.7
250.16937	0.8
251.17970	1.5
253.19490	2.1
257.19016	1.8
259.14853	2.0
261.16473	1.7
263.17969	2.7
265.19604	3.1
269.19070	1.5
271.20508	1.8
273.16183	1.6
275.17807	1.6
277.19476	1.6
279.21078	1.3
281.18970	1.3
283.20450	4.7
285.16141	1.2
287.20203	2.2
289.03421	0.8
289.19565	2.1
295.20627	1.6
297.22153	4.1
303.21164	0.9
307.20779	1.2
315.21143	1.3
331.24219	1.2
333.22238	1.0
347.23611	1.1
349.25293	1.9
352.24133	1.0
357.25870	1.7
365.24731	1.6
375.26709	6.2
403.29980	7.3
412.23227	1.8
413.23318	1.4
491.35046	1.1
503.35284	3.5
509.34250	1.9
547.39319	3.3
553.68024	0.9
564.49554	0.9
565.40308	26.5
566.40869	1.0
583.41394	100.0
584.41437	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
54.04928	0.7
55.05494	6.1
57.07055	4.6
59.04981	1.7
64.49098	0.8
67.05485	8.4
69.03419	4.4
69.07051	5.3
70.77075	0.7
79.05477	8.0
81.07037	13.3
83.04977	1.9
83.08596	2.7
85.06519	1.9
91.05458	14.4
93.07027	22.6
95.04945	5.2
95.08582	20.0
97.06498	2.8
103.05431	1.6
105.07011	29.9
107.04958	0.9
107.08578	15.8
107.09294	0.8
109.06509	4.8
109.10137	9.3
115.05452	1.4
116.06119	0.9
117.07001	5.5
119.08554	27.4
119.09385	1.4
121.06496	2.2
121.10121	18.2
122.07247	1.2
123.08035	11.7
123.11693	2.2
125.05972	1.2
128.06215	2.4
128.18968	0.9
129.06999	3.8
130.07741	2.8
131.08537	11.3
132.36609	0.9
133.06506	2.5
133.10126	15.3
135.07997	6.7
135.11632	5.0
137.09592	7.5
142.07759	5.7
143.08554	11.7
144.09317	2.3
145.10106	18.0
147.08034	13.1
147.11642	6.2
149.09599	2.9
151.07530	14.4
153.07021	1.7
155.08543	5.9
156.09274	5.3
157.10091	21.7
158.10843	1.9
159.08020	2.1
159.11674	10.4
161.09619	2.9
161.13219	4.6
163.11148	3.6
165.07005	1.9
165.09087	25.8
167.08562	3.3
167.10754	0.9
168.09312	2.3
169.10098	9.2
170.10861	4.5
171.11671	12.6
172.12379	1.2
173.09589	2.2
173.13243	6.0
175.11151	3.2
175.14818	2.9
179.08543	3.5
181.10085	4.5
181.12297	1.8
182.10889	2.0
183.11662	10.8
184.12425	1.5
185.13206	8.9
187.11197	0.9
187.14729	4.0
189.12691	4.0
191.14258	1.8
193.10144	5.6
194.10907	4.0
195.11644	7.8
196.12343	2.4
197.13242	10.8
198.14064	1.2
199.11165	1.5
199.14778	4.4
201.16397	1.2
203.14270	12.2
204.14658	1.3
205.10184	2.0
206.10864	2.9
207.11685	6.3
207.13835	5.3
208.12451	3.6
209.13223	9.7
209.15160	1.4
210.13953	1.6
211.14810	6.6
212.15567	1.0
213.12785	1.0
213.16386	2.3
215.14359	1.5
217.15944	1.2
219.11719	2.5
220.12361	1.6
221.13264	6.5
221.15297	48.8
222.15816	1.5
223.14799	6.3
225.16406	2.0
227.14098	1.6
231.11804	2.0
231.13867	1.2
231.17502	2.2
232.12480	1.3
233.13281	3.0
233.15442	1.5
234.14034	1.7
235.14769	6.0
236.15623	1.4
237.12675	1.3
237.16287	4.1
238.17094	1.3
239.17865	1.9
244.12489	1.2
247.14868	2.9
247.17107	1.5
248.15596	1.5
249.16418	3.5
251.17892	1.5
253.15886	1.2
253.19617	1.7
257.18787	1.7
259.14832	1.7
260.15726	1.0
261.16412	3.0
262.17090	1.2
263.17963	1.5
264.18857	1.2
265.19525	3.8
267.17389	1.2
269.18933	1.7
271.14667	1.2
271.20587	2.5
272.67166	0.8
273.16330	0.9
275.17792	1.5
277.19540	1.4
279.21259	2.0
281.18939	1.3
283.20480	2.0
287.17468	1.3
287.20242	1.8
289.19690	1.5
291.21072	1.5
295.20505	2.6
297.22226	3.5
299.20221	0.9
314.51227	1.1
315.21024	1.1
319.24164	1.0
329.22476	1.2
333.22232	0.9
349.25266	2.1
352.24191	2.0
365.24820	1.6
375.26843	3.7
375.94659	1.1
385.28790	1.3
403.29883	7.7
473.33850	0.9
473.87167	0.8
491.35077	1.9
503.34827	5.2
509.34070	1.1
547.39429	3.2
565.40314	25.6
566.40442	1.2
583.41376	100.0
584.41956	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	583.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.7
53.03930	2.6
54.79746	0.7
55.05497	11.3
56.88587	0.6
57.03413	0.8
57.07063	8.8
59.04987	3.7
65.03912	3.4
67.05489	19.1
69.03411	8.0
69.07053	15.4
69.51215	5.5
69.51648	2.8
71.04973	1.0
77.03910	1.2
78.19508	0.7
79.05479	18.0
80.51426	0.7
81.07035	24.2
83.04965	5.4
83.08599	7.3
85.06528	5.4
91.05458	35.4
91.54342	0.8
93.07021	44.3
93.52145	0.9
95.04945	10.1
95.08584	30.8
97.06505	3.3
98.21486	1.6
100.11230	2.9
103.05455	2.7
105.04512	1.3
105.07008	55.2
106.07329	0.9
107.04942	0.7
107.08572	34.1
109.06489	8.1
109.10125	16.4
111.08050	2.2
111.11681	0.8
113.09621	1.1
115.05434	3.3
116.06190	1.8
117.06994	12.6
119.08553	66.9
121.06463	4.4
121.10115	36.1
122.07246	1.1
123.08046	14.9
123.11671	5.3
125.05964	2.1
125.09625	1.6
128.06189	11.1
129.06979	13.4
130.07794	4.4
131.08536	25.7
133.06487	2.9
133.10098	33.8
135.08011	9.3
135.11674	10.4
137.05959	1.0
137.09573	9.2
139.11156	1.9
141.06963	7.0
142.07751	18.5
143.08531	29.7
144.09341	5.4
145.06480	1.8
145.08946	1.9
145.10092	39.3
146.10577	1.1
147.08020	16.4
147.11636	11.1
149.09584	6.9
149.13222	2.9
151.07504	13.9
151.11142	1.5
153.07022	3.1
153.09032	1.2
154.07774	2.5
155.08524	13.8
156.09328	15.1
157.10098	44.7
158.10866	5.0
159.07986	4.2
159.11662	22.8
160.12340	1.0
161.09544	4.8
161.13242	6.7
163.11171	6.3
165.07002	4.8
165.09077	32.8
166.07753	2.7
167.08539	7.6
167.10628	8.7
168.09314	5.8
169.10097	22.7
170.10898	6.9
171.08113	1.1
171.10153	1.3
171.11652	26.7
172.08815	1.3
172.12337	2.2
173.09589	2.7
173.13213	18.9
174.10370	1.0
175.11156	3.4
175.14795	8.4
177.09032	1.7
177.12715	2.1
178.07750	1.7
179.08516	11.0
180.09286	4.9
181.10114	12.2
181.12106	4.9
182.10867	7.1
183.11655	23.1
184.12413	3.8
185.09660	2.2
185.13231	14.7
186.13785	1.3
187.11195	2.8
187.14804	5.4
189.12717	6.0
189.16345	1.2
191.08629	1.6
191.10678	1.2
191.14299	6.8
192.09239	4.4
193.10101	13.6
194.10896	10.1
195.11667	19.1
195.13503	1.4
196.12387	4.4
197.13222	18.6
198.13921	1.8
199.11157	1.2
199.14804	11.9
200.11955	1.0
201.12711	1.7
201.16457	2.1
203.08557	1.8
203.14240	13.6
205.10046	3.8
205.15788	0.9
206.10886	5.7
207.11676	15.9
207.13789	7.0
208.12444	8.0
209.09802	1.1
209.13225	23.0
209.15169	1.6
210.13945	2.8
211.11162	1.3
211.14789	9.1
212.15538	1.1
213.12746	2.3
213.16409	3.0
215.08519	0.9
215.14265	1.9
216.09222	1.5
217.10107	3.4
217.15793	6.9
218.10849	3.1
219.11684	7.9
219.17320	1.3
220.12428	5.4
221.13232	14.4
221.15364	58.8
222.10065	0.9
222.13968	3.3
222.15770	2.0
223.14789	13.8
224.15553	2.1
225.12724	2.2
225.16299	5.0
227.14287	2.7
227.17972	1.6
229.10159	2.3
229.15822	1.8
230.10884	2.4
231.11591	4.9
231.17415	3.3
232.12433	3.1
233.13208	8.3
233.15390	4.7
234.13936	4.1
235.14746	10.3
235.16788	1.1
236.15506	2.2
237.12546	0.9
237.16345	5.3
239.14128	1.8
239.17801	4.1
243.11737	2.1
243.17365	1.3
244.12517	2.2
245.13159	7.3
245.19031	0.9
246.13982	3.9
247.14786	8.8
247.16934	1.4
248.15549	1.5
249.16319	8.7
250.16916	1.8
251.14326	1.0
251.17911	4.6
253.15845	1.5
253.19449	2.2
255.17320	1.8
257.13232	1.9
257.18878	5.4
258.13931	1.6
259.14792	6.2
260.15561	4.1
261.16284	8.6
261.18637	0.9
262.16986	2.4
263.17859	6.9
265.15906	1.4
265.19525	6.5
267.17456	1.9
269.13147	1.3
269.18915	4.3
270.14008	1.0
271.14801	2.6
271.20468	1.7
272.15503	1.8
273.16251	5.3
273.18802	0.8
274.17136	2.1
275.17880	9.2
276.18576	1.7
277.16711	0.8
277.19412	4.5
279.17853	0.9
279.21222	2.4
281.19067	2.4
283.14920	1.2
283.20520	11.8
285.16333	2.5
286.19443	1.3
287.17453	1.8
287.20090	3.5
288.18671	1.3
289.19266	3.7
290.20395	1.8
291.17566	0.8
291.21063	1.4
293.19061	1.1
295.20380	3.9
297.21973	5.1
299.20090	2.3
300.20990	1.3
301.19189	1.7
303.20828	1.4
307.20706	1.3
309.22141	1.4
315.21036	2.8
316.21844	0.9
317.22632	1.9
327.21082	1.8
329.22415	1.8
331.20728	0.9
331.24243	3.6
333.22058	1.6
335.23730	1.0
339.20871	0.9
343.24139	1.5
346.22638	1.1
347.23611	1.1
349.25177	7.4
352.23883	2.1
355.24283	1.1
357.25601	2.2
359.23746	1.6
361.25272	1.9
365.24796	3.4
373.25018	1.1
375.26697	7.9
383.27646	0.9
401.28278	1.0
403.29871	5.6
443.29297	0.9
477.33551	0.9
485.33725	1.0
491.34995	3.6
503.35007	5.4
509.33963	1.8
547.39178	3.0
565.40369	21.1
566.40515	2.2
583.41351	100.0
584.41705	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.7
53.03929	3.9
55.05252	1.5
55.05501	12.3
57.07060	10.2
59.04985	2.4
65.03928	3.1
67.05493	19.8
69.03426	7.2
69.07061	14.8
69.58050	11.2
74.02380	1.0
79.05479	17.1
81.07037	27.8
83.04968	5.8
83.08607	7.2
85.06525	6.2
91.05463	38.4
93.07027	46.3
95.04951	10.3
95.08588	28.8
95.09181	1.5
97.06522	5.0
97.10167	1.1
103.05445	3.7
105.07014	62.1
106.85513	1.0
107.04955	1.8
107.08576	36.0
109.06499	8.3
109.10130	15.9
111.08049	2.6
115.05426	2.1
116.06232	1.5
117.06999	12.2
119.04950	1.1
119.08557	67.6
121.06519	3.1
121.09237	1.8
121.10122	36.4
123.08041	13.9
123.11665	4.6
125.05988	3.2
125.09625	1.4
128.06201	12.0
129.06995	13.5
130.07790	5.9
131.08542	26.6
133.06459	3.1
133.10101	32.7
135.08017	9.3
135.11674	10.9
137.05974	1.1
137.09583	9.2
139.11165	2.1
141.06949	7.0
142.07756	19.6
143.07411	1.6
143.08540	32.2
144.09291	7.1
145.06468	3.0
145.10095	46.7
147.08023	14.5
147.11664	13.6
149.09622	5.0
149.13251	2.2
151.07515	14.6
151.11221	1.7
152.06169	1.3
153.06964	3.1
154.07750	2.7
155.08524	15.0
156.09315	16.5
157.10092	44.6
158.10869	7.5
159.08061	3.6
159.11671	21.3
161.09605	4.6
161.13223	7.1
163.11163	7.4
163.14786	1.4
165.06982	6.7
165.09087	29.1
166.07806	3.8
167.08530	9.4
167.10655	8.9
168.09338	6.9
169.10097	24.8
170.10858	8.8
171.08014	1.1
171.11661	25.7
172.12430	2.1
173.09581	3.1
173.13214	20.6
175.11176	4.0
175.14801	7.0
175.88725	1.2
177.12697	1.5
178.07933	1.7
179.08514	13.3
179.73587	1.1
180.09273	5.6
181.10104	15.4
181.12048	6.2
182.10904	8.2
183.11658	26.8
184.12445	4.4
185.09576	2.0
185.13234	18.9
187.11232	2.6
187.14832	5.7
189.06859	1.6
189.12668	5.3
189.16333	1.9
191.08569	2.6
191.14259	8.1
192.09309	4.5
193.10078	13.2
194.10889	9.8
195.11678	19.1
196.12367	6.3
197.13225	17.7
199.11285	1.7
199.14792	14.7
201.12724	2.3
201.16304	2.6
203.14288	14.6
204.09349	1.4
205.10086	3.3
205.15881	1.5
206.10854	6.9
207.11681	17.3
207.13800	5.0
208.12448	4.8
209.13229	23.3
209.15196	1.4
210.14030	5.1
211.11230	1.4
211.14787	10.6
213.12663	1.8
213.16394	3.3
215.08453	1.2
215.14378	2.5
216.09409	1.5
217.10123	3.4
217.15878	9.5
218.10860	2.9
219.11642	7.1
220.12422	6.2
221.13240	13.6
221.15369	58.3
222.13963	4.2
223.14738	14.6
224.15498	1.9
225.12823	1.4
225.16293	6.9
227.14294	2.8
229.10118	2.7
229.15857	1.5
230.10934	2.0
231.11581	6.4
231.17352	1.8
232.12468	4.2
233.13234	10.1
233.15411	6.0
234.13971	3.3
235.14743	11.0
237.16330	7.2
238.06747	1.2
239.14275	1.7
239.17935	4.3
243.11714	2.6
243.17404	1.6
244.12404	1.7
245.13310	6.2
246.13989	5.1
247.14798	9.3
247.16924	2.0
248.15617	2.4
249.16374	8.3
250.17104	2.5
251.17825	5.9
253.15805	1.4
255.17470	2.1
257.13287	1.5
257.18909	7.9
258.14041	2.6
259.14880	5.0
260.15619	4.5
261.16287	7.2
262.17181	1.3
263.17868	6.5
265.19537	6.8
267.17468	2.4
269.18988	3.1
270.14032	1.1
271.14661	1.4
271.20499	2.6
272.15543	1.5
273.16089	5.2
274.17050	2.2
275.17889	10.3
276.18484	1.2
277.19498	4.0
279.17596	1.3
279.21188	3.3
281.19028	2.5
283.14767	1.1
283.20511	14.2
285.16263	2.6
287.17407	1.5
287.20157	3.4
288.18707	1.5
289.19354	5.2
290.20038	1.3
291.21091	1.7
293.18842	1.7
295.20605	3.6
297.22153	4.6
299.17642	1.5
301.19272	2.4
307.20447	2.2
309.22092	1.9
311.17975	1.6
315.21149	1.6
319.20422	1.5
327.21136	1.5
331.24023	5.4
333.22034	1.7
335.23593	1.5
340.21436	1.2
343.24277	1.8
347.23718	2.3
349.25168	7.7
352.23935	1.7
353.24646	1.5
357.25772	3.0
361.25381	1.9
365.24704	2.2
373.25317	1.4
375.26746	6.3
379.26639	1.3
385.28711	1.5
401.28305	1.2
403.30054	7.8
491.34995	4.0
503.35056	4.8
509.34225	1.7
547.39264	3.3
565.40326	21.5
583.41351	100.0
584.41827	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	581.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.5
57.07056	1.6
64.98025	0.4
67.05489	1.9
67.26160	0.5
69.07057	2.9
70.95159	1.0
71.08611	1.6
79.05481	1.1
81.03398	1.3
81.07024	2.1
83.04967	0.6
83.08582	0.6
85.10155	1.1
91.05476	1.0
93.06992	1.4
95.04952	1.1
95.08593	2.7
95.57400	0.5
97.03995	0.5
105.03379	3.2
105.07005	0.7
107.02401	2.4
107.08613	1.0
109.10144	0.5
110.06086	0.5
119.08580	0.8
123.05513	0.9
130.06491	0.9
131.08557	0.6
132.04443	0.9
133.10002	0.5
135.11613	1.0
144.08046	0.7
146.06013	0.6
158.05975	0.8
158.09630	0.7
160.07530	1.5
169.07639	0.8
170.06000	1.1
172.07462	0.8
184.06270	1.7
184.07686	0.8
185.07092	3.7
186.09193	0.7
196.07605	0.9
202.93549	0.5
203.90186	0.5
207.17404	1.0
211.13170	0.8
213.10254	1.4
227.11766	0.8
236.20140	0.7
257.09201	4.4
267.15616	0.5
273.12427	0.6
336.26254	0.9
339.20633	6.1
342.16071	0.5
361.30988	7.6
367.23727	2.3
387.49951	0.5
411.22729	100.0
412.22812	1.8
427.25516	0.8
451.82956	0.5
482.90079	0.5
483.37076	0.9
531.40472	1.2
546.38464	1.9
549.41266	0.9
581.39874	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.3
55.01862	4.7
55.05502	19.5
57.03435	9.2
59.04989	4.2
65.03921	2.1
67.05495	85.5
69.03070	2.0
69.03417	16.2
69.07053	6.8
71.01328	1.7
71.04983	9.9
71.79028	2.1
79.05473	17.8
81.03404	84.3
81.07040	27.1
83.04965	14.1
83.08607	18.6
85.02877	19.5
85.06532	2.5
86.06054	1.9
89.03918	1.7
91.05460	19.9
93.07022	14.4
95.04956	18.4
95.08592	10.4
97.02879	12.8
97.06535	5.0
97.10130	9.3
99.04440	3.4
99.08070	1.6
99.34104	1.4
105.03356	2.6
105.07008	15.9
107.04926	8.9
107.07924	2.3
107.08551	9.9
109.02873	13.9
109.06496	5.1
109.09388	3.2
109.10136	54.9
111.04433	14.1
111.08067	7.0
115.05373	2.5
117.03358	6.5
117.06998	3.6
119.04916	2.3
119.08558	16.0
121.02825	11.3
121.06499	3.5
121.10078	7.4
123.04428	3.4
123.08080	3.0
123.11668	2.4
125.09612	9.2
127.03863	9.1
129.05473	2.7
129.06981	9.5
131.04950	2.4
131.08571	7.2
133.06477	4.3
133.10139	5.2
135.04414	1.9
135.08051	3.6
135.11729	2.1
137.05942	2.5
137.09616	5.8
142.07855	1.7
145.02821	11.2
145.06448	2.4
145.10121	2.9
147.04407	3.3
147.07991	2.6
147.11668	10.2
149.05977	3.1
149.09630	4.8
155.08473	2.5
155.10603	2.5
157.06464	3.6
157.10101	6.6
159.08052	3.0
161.05933	1.8
163.11180	3.6
165.12740	2.0
167.07054	3.2
173.11696	14.9
175.11130	9.3
177.05434	25.0
177.06905	1.7
187.07523	4.8
189.11214	5.0
191.07054	1.8
191.08662	2.3
191.10631	2.6
193.12196	24.0
195.08049	1.8
197.06111	1.7
209.11719	1.9
211.13260	42.1
213.38069	1.5
217.08688	2.1
221.05920	1.6
222.06720	2.5
227.12660	7.3
229.14333	19.5
235.09608	26.9
237.09268	1.8
249.14958	3.3
265.08609	5.6
267.15973	10.3
268.07419	1.9
277.14240	2.3
282.08798	2.9
283.09653	10.5
285.17151	2.6
297.11261	5.0
299.14899	3.6
301.14313	3.7
309.17014	1.9
314.14069	2.6
337.16418	5.2
355.17535	12.1
370.10779	4.9
373.18365	3.4
395.11438	2.4
398.10291	4.4
409.17365	1.5
411.20172	4.8
413.12628	6.1
421.25653	10.7
428.15005	12.5
429.13544	2.1
439.26831	19.3
446.15912	20.4
455.26440	2.5
505.27994	6.3
529.28241	2.6
547.28876	5.3
565.30005	12.3
583.31055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75253	0.2
53.03922	0.3
55.05503	1.1
57.01663	0.2
57.07064	1.3
67.05472	0.8
69.07056	2.7
70.06561	0.2
70.46891	0.8
71.08614	1.5
79.05481	0.4
80.04996	0.2
81.04527	0.5
81.07047	1.0
83.04927	0.2
83.08620	0.2
85.10165	0.6
91.05474	0.3
93.07029	0.4
95.04949	0.5
95.08567	1.0
96.04451	0.2
97.03991	1.2
98.20735	0.2
100.03945	0.3
105.03371	5.3
105.07006	0.4
107.02423	4.0
107.08564	0.2
108.04429	0.3
109.03951	0.2
109.10155	0.3
111.11801	0.2
117.71461	0.2
119.08569	0.3
123.05544	1.2
125.03449	0.3
129.06953	0.3
130.06511	0.9
132.04404	0.2
132.08104	0.3
135.05513	0.6
135.11768	0.2
143.08485	0.3
144.08058	0.5
146.05962	0.3
156.08075	0.5
157.10072	0.2
158.06006	1.0
158.09628	0.5
159.09149	0.2
159.11626	0.2
160.07578	0.3
167.07243	0.3
168.06750	0.3
168.08067	0.5
169.07567	0.7
170.06004	0.6
172.07524	0.5
173.10660	0.2
182.09656	0.4
183.09227	0.2
184.06293	2.8
184.07626	0.6
185.07071	5.6
186.05592	0.2
186.09146	0.4
195.09172	0.5
196.07562	0.3
206.19043	0.3
207.17426	1.0
209.10773	0.2
210.07727	0.4
211.08669	0.6
211.12354	0.2
213.06529	0.5
213.10272	0.3
227.08133	1.1
227.11978	0.2
227.73660	0.2
237.10254	0.2
255.11264	0.6
257.09167	9.1
273.12350	0.4
284.20093	0.4
285.08640	0.6
285.16824	0.2
310.21683	0.3
339.20642	13.9
349.22675	0.8
361.30872	1.3
367.23764	0.7
409.24701	0.7
411.22711	100.0
412.23007	1.6
427.25784	0.4
581.39355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.01859	0.1
55.05500	0.9
56.05005	0.2
57.06820	0.1
57.07071	1.5
59.74497	0.1
63.59618	0.1
67.05486	1.0
67.23547	0.1
68.05006	0.3
69.07055	2.4
69.64393	0.2
69.64790	0.8
70.02946	0.2
70.06579	0.5
71.08622	1.9
73.05697	0.1
77.03899	0.1
77.77786	0.1
79.05460	0.3
80.04993	0.4
81.03403	0.1
81.04528	0.6
81.07043	1.4
82.06555	0.7
83.08634	0.2
84.04487	0.1
85.10165	1.2
91.05459	0.3
93.07021	0.3
94.06545	0.3
95.04937	0.4
95.08583	1.8
96.04459	0.3
97.03993	0.7
98.06034	0.1
100.03953	0.4
102.05536	0.2
105.03368	4.2
105.06997	0.4
106.06544	0.1
107.02418	2.8
107.08557	0.2
108.04431	0.1
109.10130	0.2
110.06023	0.6
115.05413	0.1
117.07003	0.1
118.06509	0.2
119.08525	0.3
120.04467	0.3
120.08033	0.1
121.10114	0.2
123.05510	1.0
123.11703	0.1
124.07563	0.1
125.03445	0.3
129.06978	0.2
130.06505	1.8
132.04424	0.6
132.08052	0.9
133.05130	0.1
133.10107	0.2
135.05510	0.4
135.11639	0.1
139.05016	0.2
142.06519	0.2
143.07263	0.3
143.08368	0.1
144.08069	1.4
145.10077	0.2
146.05989	0.8
147.09132	0.1
149.09657	0.1
150.84360	0.1
154.06458	0.2
155.14313	0.3
156.06805	0.2
156.08035	1.0
157.07587	0.3
158.05994	1.2
158.09593	0.9
159.09148	0.1
160.07552	2.2
167.04544	0.1
167.07289	0.4
168.06763	0.2
168.08063	0.8
169.07584	0.8
170.05991	1.3
170.09621	0.1
172.07549	1.6
173.10805	0.1
174.09189	0.1
175.08649	0.2
180.08087	0.1
181.46640	0.1
182.09634	0.4
183.06784	0.1
183.09148	0.8
184.06271	2.1
184.07613	1.5
185.07060	4.6
185.10725	0.2
186.05481	0.2
186.09082	0.7
193.44321	0.1
194.09708	0.2
195.09186	0.5
196.07535	1.1
197.07022	0.2
198.09216	0.2
198.18442	0.1
199.08743	0.2
199.12263	0.3
201.10161	0.3
202.08569	0.1
206.18962	0.2
207.17357	0.6
208.16989	0.2
209.10701	0.2
210.07828	0.3
210.18488	0.1
211.08627	1.1
212.07021	0.3
212.09059	0.1
213.06621	0.4
213.10141	1.5
223.08649	0.2
224.20007	0.2
227.08218	0.5
227.11650	0.7
229.09734	0.3
229.13408	0.1
230.08078	0.2
236.20082	0.8
237.10289	0.1
241.09680	0.2
255.23134	0.4
257.09164	6.9
273.12238	1.1
284.20050	0.4
285.08713	0.3
296.20087	0.1
299.10248	0.1
308.20016	0.2
310.21573	0.5
312.19531	0.2
314.21240	0.2
322.21646	0.1
326.21146	0.4
333.31256	0.2
339.20615	7.5
340.21555	0.1
347.24634	0.1
349.22702	0.3
350.20819	0.2
361.30933	2.8
366.20560	0.1
367.23724	1.9
381.24893	0.1
383.23004	0.1
409.24698	0.3
411.22690	100.0
412.23056	1.5
427.25830	1.1
461.16171	0.1
516.63055	0.1
547.17462	0.1
563.38757	0.1
581.39771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1493
Annotation	Carlinoside
Peak:m/z	Relative Intensity
52.34259	2.1
53.47494	2.2
55.01850	6.1
55.70434	1.6
66.34976	2.0
69.16837	2.4
69.93845	13.9
71.62231	1.8
73.02926	2.1
81.03394	3.6
81.97301	1.9
85.02872	5.3
85.13236	1.9
103.03939	2.0
104.66679	1.8
107.04950	2.8
109.02854	3.2
121.02845	8.9
127.03862	4.5
135.04362	12.1
137.02316	31.1
147.04350	2.5
161.02332	6.0
163.03888	4.4
179.03339	2.7
185.05957	2.2
187.03935	2.4
189.01813	9.0
190.02534	2.2
191.03401	6.2
195.02908	9.1
203.03386	18.1
205.04944	3.1
207.02795	10.8
211.04031	2.6
215.03392	7.5
217.04939	7.7
219.02869	6.3
221.04399	6.5
229.04964	6.4
233.04369	5.3
240.09999	2.2
241.04819	2.3
243.02838	2.9
245.04259	3.6
255.02861	2.9
257.04462	4.1
261.04001	2.4
273.03784	2.9
283.05960	3.0
284.06870	4.6
287.05435	2.8
295.05939	3.8
296.06729	3.6
297.07449	3.1
299.05450	9.1
303.04822	5.8
307.05695	2.4
308.06784	3.4
309.07404	5.3
310.04697	20.3
310.08130	3.0
311.05444	100.0
311.09079	5.4
312.06097	9.5
313.07004	8.9
321.07587	3.0
323.05420	70.9
324.06259	26.0
325.07031	23.6
329.06412	7.6
333.07333	5.7
335.05624	9.5
336.06189	8.0
337.02927	3.5
337.07010	53.8
338.07706	9.0
339.04901	3.3
339.08472	7.7
341.06500	83.0
341.10605	4.7
342.06754	4.4
345.07339	3.8
346.07947	2.9
349.07047	26.0
351.08551	20.1
352.05582	5.3
352.09415	2.3
353.06485	60.5
354.06735	3.1
355.08154	3.4
361.06961	8.7
363.08679	15.1
365.06509	60.7
365.10382	2.1
366.07086	3.7
367.08066	24.3
371.07687	12.5
373.06741	2.2
377.06512	32.4
377.10947	3.3
378.06723	3.1
379.08112	20.9
381.09644	8.3
383.07513	6.4
387.08624	2.5
389.06354	11.0
390.07227	2.7
391.08224	17.0
393.09518	6.2
395.07547	93.1
395.12637	4.7
396.07593	4.6
401.06531	3.7
403.08054	4.7
405.09689	3.3
407.07535	42.6
408.08020	4.4
413.08627	51.4
417.09555	3.3
419.07550	21.3
419.12943	3.1
421.09390	10.3
425.08612	52.0
426.08939	3.6
431.09647	18.7
433.09195	3.5
435.10812	5.2
436.72662	2.3
437.08658	18.7
443.09601	52.5
444.10089	2.9
445.08429	3.0
449.08591	19.2
455.09671	15.0
461.10712	39.3
467.09720	30.0
473.10739	43.6
479.09937	4.7
485.04456	2.9
485.10782	46.5
491.09720	12.3
497.10721	49.2
498.11066	3.1
509.10760	38.0
515.11755	44.9
527.11786	66.7
528.12238	5.3
534.51270	2.2
545.12878	57.5
546.12933	5.9
563.13910	42.0
564.14258	3.7
581.14227	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	580.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.01841	1.6
55.05499	13.5
57.03426	9.5
57.07065	17.3
59.04993	1.4
65.03909	4.4
67.05495	32.4
69.03419	2.6
69.07059	10.3
69.47026	16.6
71.04967	3.1
71.08601	2.5
74.76741	1.1
79.05481	29.2
81.03409	31.2
81.06596	2.1
81.07041	35.1
83.04500	1.6
83.04968	29.4
83.08607	13.4
85.02892	7.9
85.06509	1.6
91.05470	22.2
93.07022	23.3
95.04950	16.1
95.08595	21.2
97.02842	1.4
97.03973	1.9
97.06490	3.7
97.10157	2.6
98.98434	1.5
105.03387	3.1
105.07010	16.9
107.02412	3.0
107.04955	2.3
107.08574	11.6
109.06483	3.3
109.10142	9.0
111.08055	5.2
113.05939	2.1
115.05440	3.6
117.06977	3.6
119.08562	17.9
121.10136	9.9
123.08037	2.1
123.11653	2.6
125.03433	1.4
125.09525	1.9
129.06989	8.5
131.08565	8.4
132.09114	1.3
133.06526	1.7
133.10092	9.6
135.11647	5.3
137.09590	1.9
141.06944	3.0
142.07724	1.3
143.08487	1.6
145.10103	5.0
147.08005	3.0
147.11662	23.5
149.09599	3.9
149.13217	1.6
151.01549	2.6
157.10085	7.5
159.08017	3.5
159.11627	3.4
161.13231	2.2
163.14793	1.3
169.07614	1.6
175.01492	4.0
175.11134	7.9
184.06232	2.3
185.07072	6.8
193.12215	28.9
211.13251	45.9
221.03578	1.6
227.04636	2.1
239.04576	3.8
243.21046	2.3
257.09225	8.1
261.22086	6.1
267.15857	8.8
285.16907	40.9
291.16641	1.4
324.24402	1.2
335.25757	43.1
337.02353	17.0
339.20651	14.7
349.22821	1.8
393.08450	4.7
411.22705	100.0
435.13174	1.3
469.11765	3.1
525.10968	1.9
525.18018	20.4
527.37225	3.0
545.30096	2.2
545.38269	33.7
546.38562	1.6
581.24225	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	580.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01857	0.5
57.03417	0.5
61.02896	0.8
66.88069	0.3
69.03416	3.1
69.91296	1.8
71.01328	0.5
71.04962	0.5
73.02893	0.3
77.03914	0.3
81.03410	2.4
84.08125	0.7
85.02888	8.7
87.04442	0.4
91.05452	0.7
93.07023	0.5
95.04960	1.0
97.02880	2.9
99.04421	0.7
100.11196	0.4
103.05455	1.1
105.03374	23.3
107.01323	0.4
109.02855	2.1
111.04415	0.4
119.04904	0.7
120.08080	51.0
121.02892	0.4
121.08433	0.5
127.03902	3.5
127.36180	0.3
135.04350	0.5
137.02316	100.0
138.02660	0.9
147.04373	1.0
189.85629	0.3
199.44240	0.3
213.09065	0.3
227.06960	0.3
238.08672	0.5
256.09644	45.1
257.09964	0.4
281.06705	0.3
299.07544	5.2
303.05191	0.5
418.14917	4.7
580.20135	31.6
581.20239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3882
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03947	5.2
54.38135	1.9
55.01869	6.6
55.05505	30.2
57.03431	14.4
57.07060	7.0
59.04985	2.4
65.03930	5.0
67.05495	100.0
69.03418	7.5
69.07057	27.3
70.91577	6.6
71.04975	9.6
71.08624	2.3
77.23996	2.2
79.05483	62.2
81.03408	12.8
81.07043	92.2
83.04974	18.2
83.08606	17.6
85.02901	3.8
85.06546	4.8
87.04469	4.2
89.06009	9.5
91.05461	52.7
93.07029	78.3
95.04964	18.1
95.08591	69.1
95.09189	4.4
97.02824	2.1
97.06509	12.7
97.10152	13.4
99.04443	3.5
99.08075	3.2
105.07014	39.7
107.04939	14.6
107.08578	43.2
109.06506	8.1
109.10146	46.1
109.10864	4.1
111.04446	11.9
111.08064	10.3
113.06013	2.2
115.05386	2.1
117.07000	21.1
119.08556	36.7
121.06509	4.0
121.10129	50.5
123.08071	10.5
123.11692	10.3
125.09598	9.7
127.03878	3.3
129.06961	11.6
131.08551	29.1
133.06456	2.5
133.08635	3.2
133.10112	27.4
135.08090	4.7
135.11665	28.9
137.09605	7.2
139.11176	4.9
141.06937	2.9
143.08540	7.7
143.10651	2.4
145.10104	29.0
147.08037	4.2
147.11649	17.8
149.09639	11.1
149.13249	8.6
151.11211	4.4
153.12737	5.2
155.08540	7.2
157.10138	11.4
159.08017	2.8
159.11668	16.9
161.09618	2.7
161.13251	7.5
163.11188	15.9
163.14871	3.8
165.12685	3.7
169.10165	3.7
171.11707	7.0
173.09621	8.6
173.11731	6.9
173.13249	10.9
175.11182	4.3
175.14786	5.0
181.12193	7.3
183.11705	4.7
185.13249	7.0
187.14793	7.4
189.11197	3.6
191.10637	8.4
193.12181	6.9
197.13194	4.2
199.14883	3.0
201.16454	2.7
203.12686	2.8
209.11725	9.3
211.13271	4.9
220.34210	2.2
225.51427	2.2
227.12711	14.9
227.20041	19.7
228.20436	6.1
229.14233	15.0
235.16838	4.0
243.21075	3.7
245.13950	10.9
255.15764	2.2
259.15286	2.7
259.20642	5.7
261.22128	16.1
265.14224	12.3
267.15955	5.3
275.20160	2.4
277.21591	6.1
279.23135	5.3
283.15323	20.6
287.23907	2.2
289.21536	5.0
291.23126	2.8
299.23523	3.2
301.16367	21.9
301.21631	3.9
303.23221	5.1
315.23074	6.8
317.24731	3.7
319.22617	3.0
327.23276	3.0
327.62631	2.2
333.24155	6.0
335.25797	26.9
363.25272	7.0
375.25293	2.7
389.26874	3.7
407.27908	2.9
433.30865	3.9
448.22491	2.2
451.32037	7.1
469.32663	8.3
487.33978	7.9
489.35858	5.6
515.37311	4.5
525.35541	12.8
543.36719	42.8
544.37012	2.6
561.37793	64.8
562.38397	2.7
579.38672	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	579.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47706	0.7
53.03930	1.6
55.01845	0.8
55.05502	13.5
57.03414	2.0
57.06766	0.9
57.07053	4.8
59.04988	1.8
65.03912	0.9
67.05497	10.8
69.03416	10.3
69.07060	5.9
71.04989	2.3
71.80132	1.2
73.02911	1.3
74.19198	0.8
79.05485	8.6
81.03388	1.8
81.06586	1.6
81.07040	21.0
83.04962	12.6
83.08603	15.3
85.02892	5.7
85.06539	5.5
87.04453	2.6
91.05473	6.2
93.07032	12.0
95.04953	8.8
95.08062	1.1
95.08588	8.4
97.02872	3.4
97.06522	8.8
97.10159	1.2
99.04426	3.3
105.07018	11.3
107.08575	30.7
109.02835	2.2
109.06500	24.4
109.10139	26.8
111.04427	1.1
111.08060	8.2
113.05999	2.9
113.09624	1.1
115.07544	1.4
117.07023	1.9
119.08559	7.2
120.08082	1.2
121.02879	2.1
121.06495	2.1
121.10124	23.6
123.04420	4.5
123.08054	8.7
123.11679	12.3
125.09600	9.6
127.03886	10.5
127.07557	1.0
129.06963	1.1
131.08559	8.5
133.09155	1.5
133.10106	26.4
135.04398	1.0
135.08041	12.3
135.11678	3.5
137.02335	2.7
137.09589	1.9
137.13222	2.6
139.03862	2.3
139.07494	0.9
139.11089	1.1
142.54140	0.8
143.08562	1.8
145.04945	1.5
145.10068	4.8
147.04318	1.1
147.11652	7.0
149.09586	6.2
149.13232	10.0
150.10385	1.0
151.07458	1.0
151.11162	18.2
153.09099	10.2
158.10858	2.7
161.09630	1.2
163.03891	2.1
163.11143	3.3
163.14804	7.0
165.05423	0.9
165.12714	9.0
167.14297	16.0
173.13229	22.9
175.14832	2.3
176.81610	0.9
181.12239	1.4
181.15884	1.2
187.05989	1.3
191.14276	60.9
193.15916	1.1
205.07149	1.3
207.13773	1.4
209.15334	100.0
221.15320	1.5
227.16351	3.3
231.02905	1.1
246.23508	0.9
263.16357	1.2
271.05823	1.5
296.01804	1.1
335.18265	3.1
353.19556	20.4
371.20630	12.9
433.11292	3.6
579.21344	1.4
579.35199	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	579.1701
Annotation	Kaempferol 3-rhamnoside-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.01846	1.0
55.05484	2.4
57.03423	9.5
61.02905	1.1
67.05482	0.8
69.03422	7.7
70.01107	5.0
71.01328	1.6
71.04980	65.0
73.02903	13.2
75.04457	2.7
81.03400	2.2
81.07043	1.0
83.04966	13.2
84.08104	0.9
85.02888	76.5
87.04439	2.2
93.06999	0.7
95.04930	1.8
97.02859	1.0
99.04447	6.1
109.02837	2.1
111.04421	9.0
113.05972	1.2
117.05469	9.1
120.08086	1.0
121.02841	5.1
123.04436	0.9
127.03885	3.1
129.04536	1.6
129.05450	22.7
137.02306	3.5
145.04933	1.4
147.04399	1.2
147.06485	6.2
153.01796	2.6
153.05466	3.1
157.04968	1.0
163.05997	13.1
165.01765	1.5
166.16142	0.7
171.06520	0.8
183.02736	1.1
183.06291	0.7
188.66576	0.8
188.69080	0.7
210.63698	0.8
213.05385	1.2
239.09103	2.9
256.09668	0.9
258.04974	0.8
259.06140	1.1
259.10083	0.9
287.05447	100.0
288.05835	2.9
299.05536	7.1
300.06305	1.1
308.92310	0.9
311.05447	1.9
325.07028	2.5
329.06482	13.2
351.08566	1.6
353.06470	4.8
379.08054	3.3
397.09125	11.1
397.57516	0.8
400.18619	0.8
415.10056	5.7
433.11261	15.5
526.62708	0.8
579.16925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	1.8
58.50420	1.5
61.02918	1.7
69.03416	16.2
70.54556	5.1
85.02893	4.3
91.05431	2.3
93.03402	1.5
100.54967	1.5
107.04938	1.4
109.02869	2.1
111.04415	3.5
119.04903	8.5
121.02852	33.6
123.04430	2.1
133.06551	1.5
135.04424	2.1
145.02856	5.3
149.29404	1.5
157.06477	2.0
161.02405	1.9
163.03899	3.3
165.05618	1.4
167.07019	4.3
175.03873	2.5
176.00989	1.4
179.03313	3.2
181.05017	1.4
187.03893	2.0
188.55304	1.5
189.01750	8.5
191.03398	6.1
195.02861	6.1
201.05534	2.3
203.03357	9.4
205.05037	2.4
207.02849	8.7
211.03963	1.9
213.05484	2.1
217.04871	2.2
219.02960	5.0
221.04326	3.0
229.04944	5.9
231.02922	2.4
233.04460	2.3
239.03337	1.7
243.02872	2.1
251.07047	1.8
257.04483	4.6
267.06506	2.5
268.07269	4.8
271.05920	3.1
273.03983	1.6
279.06534	6.4
281.08127	5.4
283.05963	8.1
284.07025	2.0
285.03998	3.7
293.08182	4.5
294.05222	18.8
295.05975	60.6
295.08923	2.0
296.06696	10.5
297.07462	11.1
307.02420	2.8
307.05978	50.1
307.09161	2.0
308.06650	18.9
309.07458	15.1
310.08179	1.8
313.07028	5.3
319.06094	5.5
319.09503	3.1
320.06766	3.1
321.07535	26.5
322.04626	2.2
322.08167	11.4
323.05695	3.1
323.09103	5.9
325.07019	100.0
331.09634	2.4
333.07513	7.6
335.05457	2.8
335.09094	6.8
336.06158	4.3
336.09833	2.5
337.07013	60.1
337.10336	2.4
338.07556	3.0
339.08807	2.1
345.07535	2.2
346.07932	2.0
347.09100	13.2
348.09744	1.9
349.07034	31.4
349.11197	2.2
350.07727	2.7
351.04639	2.4
351.08548	22.1
355.08078	17.1
357.07401	3.3
361.06995	11.5
362.08011	1.8
363.08606	6.1
365.10211	16.0
367.08005	6.8
373.06888	2.8
374.07693	2.4
375.08600	25.1
377.06305	1.8
377.10477	2.4
379.04071	1.7
379.08069	48.1
380.08484	2.1
385.06958	3.6
389.10184	2.3
391.07950	15.0
393.09665	32.5
401.09982	2.2
403.08051	20.8
405.09695	8.8
409.09125	31.2
411.10660	37.2
412.10962	2.3
419.11285	4.0
421.09195	22.2
423.10495	7.5
429.11691	10.4
433.08597	3.2
439.10205	24.3
441.11813	18.0
445.08994	1.9
447.10638	10.5
457.11230	60.5
458.11472	3.1
459.12805	26.9
465.11807	31.3
466.12051	2.0
471.10596	5.1
477.11685	4.1
483.12778	30.4
489.11777	10.6
495.12848	26.6
496.12903	2.2
507.12839	20.7
513.13800	20.0
525.13885	32.5
526.14240	2.2
543.14935	36.8
544.14795	1.8
561.16010	24.8
562.16339	2.6
579.17194	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	579.1699
Annotation	Swertisin 2''-O-xyloside
Peak:m/z	Relative Intensity
61.02903	2.6
65.03933	2.1
69.03420	30.7
70.43929	2.0
71.27673	4.2
71.28003	2.4
81.03369	2.6
85.02885	6.0
103.03894	2.7
105.03378	4.6
109.02836	2.7
119.04936	7.2
121.02857	32.3
123.04431	3.8
127.03908	5.5
135.04408	3.0
145.02837	6.9
147.04417	2.7
163.03903	4.7
167.07109	2.5
177.01816	1.8
185.56673	2.1
189.01784	5.0
191.03395	6.4
195.02863	4.3
195.87585	2.1
203.03404	8.1
207.02896	7.8
215.03152	2.1
219.02797	6.1
221.04388	3.9
229.04869	5.5
231.02913	2.2
241.04947	3.1
251.06937	2.8
257.04178	3.1
268.07181	3.7
269.04370	2.8
271.06024	5.7
275.05417	2.2
276.41156	2.1
278.05710	3.0
279.06430	14.6
281.08044	6.9
283.06006	6.1
291.06424	8.7
292.07019	3.9
293.08081	5.1
294.05182	23.4
295.06000	38.7
296.06583	5.0
297.07416	7.3
305.07941	5.6
307.05972	44.8
307.09286	2.4
308.06628	17.5
309.07513	31.1
313.07156	6.5
317.08224	3.8
319.05972	6.5
319.09409	3.7
321.07498	31.1
322.08316	6.2
323.05209	2.8
323.08914	4.4
325.06934	37.3
331.09741	4.9
333.07632	10.9
334.08130	3.7
335.05441	3.4
335.09006	14.8
336.06021	3.1
337.06992	69.5
338.07190	3.6
339.08554	8.3
343.09583	7.4
345.07538	6.5
347.09201	10.5
348.09763	2.7
349.06946	19.2
349.10788	5.0
351.08521	23.5
355.08011	22.0
357.07297	2.8
359.09113	13.0
361.06909	11.3
361.10864	3.6
363.08484	17.2
367.08078	4.5
369.07626	3.1
373.11017	3.2
375.08557	29.4
376.09131	2.6
377.10101	14.5
379.08035	45.7
387.08618	29.0
389.10132	4.7
391.08020	8.4
393.09589	15.4
401.10178	4.8
403.08145	4.8
405.09656	52.1
406.09787	4.0
409.09253	7.6
411.10373	6.9
417.09610	5.3
421.09128	4.1
423.10699	76.1
424.10754	2.7
427.10153	10.2
429.09567	8.2
435.10419	4.0
439.10266	3.9
441.11725	61.9
442.11581	3.9
447.10614	9.5
457.11154	22.7
459.11722	7.5
463.10434	2.5
465.11548	5.3
471.10696	4.6
475.12271	17.3
477.11768	3.0
481.11240	28.0
483.12573	3.8
489.11768	7.9
495.12335	4.4
499.12259	24.9
502.09708	3.1
507.12872	20.6
525.13855	100.0
526.14105	6.1
543.14807	54.3
561.15894	16.0
579.16785	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	579.1489
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
51.02388	1.0
55.01888	2.3
56.08833	0.6
65.03949	1.5
67.05488	1.0
67.07568	0.6
68.22841	0.6
68.99787	4.8
69.03425	1.0
70.06615	1.0
77.03903	0.9
79.05492	0.9
81.03422	2.8
85.02902	1.4
89.03928	0.8
91.05486	1.8
93.03410	1.1
95.04972	2.0
99.04465	0.7
105.03366	1.7
107.04952	3.7
109.02861	3.2
111.00797	2.4
111.04418	3.2
115.05448	0.7
117.06964	0.7
119.04944	4.4
121.02864	3.2
123.04412	89.9
124.04745	1.0
127.03896	100.0
131.04916	2.2
133.06450	1.5
135.04398	32.5
137.02333	5.3
137.05972	1.0
139.03877	38.3
141.06993	1.1
143.04910	1.4
145.02844	1.0
145.06442	0.8
147.03281	0.9
147.04385	13.1
149.02307	4.6
149.05945	1.5
151.03880	7.4
155.04880	0.9
157.06410	1.2
159.04401	4.3
161.05977	5.0
163.03885	38.0
165.05444	8.3
167.03349	6.0
169.04907	0.7
169.06419	1.6
170.61763	0.6
171.04448	0.7
173.05943	3.0
175.03850	2.7
175.07346	0.6
177.05424	4.5
179.03320	4.6
179.06932	0.8
181.04890	2.6
181.06378	0.9
183.04387	1.3
185.05962	1.6
187.03833	6.7
187.07433	0.8
189.01857	0.9
189.05432	4.9
191.01752	0.9
191.03365	10.1
193.04939	7.0
197.05916	3.5
201.05411	5.7
203.03336	10.1
203.06891	2.3
205.04788	2.1
207.06444	2.0
213.05383	2.8
215.03296	2.0
215.06909	2.4
217.04807	2.5
219.06454	1.0
225.05313	2.1
229.04886	6.9
229.89684	0.9
231.06483	1.6
233.04315	2.2
237.05362	0.8
241.04872	2.2
243.02751	0.6
243.06425	4.9
244.30441	0.7
245.02046	0.8
245.04416	13.4
247.03661	0.9
247.05980	15.7
253.04797	1.8
255.06470	2.9
257.04398	14.5
258.04980	2.1
259.03677	0.6
259.05988	6.3
267.06149	0.7
269.04428	3.6
271.05960	20.8
273.07297	2.6
275.05484	14.7
282.93503	0.7
283.05966	6.5
285.07318	2.1
287.05450	31.1
289.07040	15.5
291.08603	14.1
295.05746	2.1
297.07135	1.0
299.05438	8.0
301.07043	11.1
303.05029	0.7
303.08560	4.0
307.05685	1.5
308.06522	0.8
311.05267	0.9
313.07016	1.7
325.06796	1.5
333.09512	1.4
337.06631	1.6
341.09613	0.9
349.06613	0.8
351.08273	1.0
375.08020	0.9
379.07602	1.6
391.07843	0.9
405.08820	0.9
409.09134	36.6
411.10669	5.3
421.08411	2.7
423.10385	0.8
427.10205	8.7
433.10236	1.9
435.10556	4.9
439.10159	5.3
441.11148	1.2
451.09528	0.6
453.10959	2.1
457.10461	0.8
525.13104	1.5
537.78326	0.7
543.14197	1.2
561.13104	1.7
579.13623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1488
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
53.03909	0.7
55.01854	1.3
59.14548	0.5
67.01846	0.8
67.05486	1.0
68.99770	3.8
69.03410	0.7
70.31091	2.0
79.05482	0.5
81.03384	2.0
83.04955	0.9
89.03857	1.0
90.51820	0.4
92.54267	0.5
95.04960	1.1
98.62079	0.5
99.04427	1.1
103.05486	0.6
107.04983	2.8
109.02869	3.3
111.00794	1.6
111.04430	2.6
115.05427	0.5
117.03400	0.6
119.04945	2.0
121.02831	2.0
121.06474	0.6
123.04411	38.4
124.04728	0.6
125.13278	0.5
127.03893	100.0
128.04253	0.8
131.04907	2.0
135.04391	29.3
137.02322	2.0
137.05920	0.5
139.03871	50.8
140.04211	0.7
141.06932	0.7
143.04907	0.9
145.02888	0.6
147.04388	5.5
149.02286	3.6
149.05971	1.6
151.03877	7.2
155.04799	0.9
157.02722	0.6
157.06531	0.6
159.04366	4.2
161.02272	0.8
161.05952	3.8
163.03879	33.3
165.05457	6.2
167.03372	8.6
169.06451	0.9
173.05977	3.0
175.03917	3.0
177.05457	3.3
179.03343	3.0
181.04999	0.7
181.06473	0.6
183.04425	1.1
185.05952	1.3
187.03854	5.9
187.07515	0.7
189.05354	1.6
191.03362	11.3
193.04971	3.1
197.05972	3.1
200.04494	0.7
201.05385	6.9
203.03380	8.2
203.07045	2.2
205.04915	2.6
207.06506	1.2
213.05408	1.7
215.03375	1.2
215.06969	3.2
217.04958	1.8
219.02820	1.4
225.05478	1.2
229.04962	6.9
231.02783	1.3
231.06529	1.4
233.04404	6.3
241.04970	1.1
243.02841	0.9
243.06477	5.2
245.04443	5.6
247.05983	16.7
251.05450	1.6
253.04997	1.4
255.06429	1.3
257.04434	10.1
258.05115	0.8
259.05978	8.4
261.03839	1.5
269.04395	2.4
271.05972	20.9
273.04074	0.6
273.07526	1.5
275.05447	16.3
283.05975	7.1
285.03937	1.1
285.07373	0.8
287.05435	20.8
288.05911	0.5
289.07019	13.9
291.08588	16.3
291.11850	0.9
295.05981	0.6
297.07269	1.1
299.05569	3.6
301.07034	14.7
303.08588	1.8
311.05289	0.8
325.06876	0.8
327.04990	1.0
339.08511	0.6
351.08694	0.6
363.07288	0.8
393.07785	0.6
405.08408	0.9
409.09116	24.8
411.10681	3.7
421.09067	1.1
427.10187	9.7
435.10480	1.0
439.10156	1.5
441.10641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1491
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
53.03926	0.8
53.84375	0.5
55.01863	0.8
58.14672	0.7
67.01830	0.5
67.05507	0.6
68.99771	3.4
71.12502	0.6
71.19361	1.1
71.19721	0.8
81.03389	2.2
92.52643	0.6
93.03420	0.8
95.04908	1.3
99.04453	1.2
107.04955	3.6
109.02845	3.2
111.00776	1.4
111.04420	2.1
117.03310	0.8
119.04915	0.7
121.02855	1.2
123.04406	35.2
127.03893	100.0
128.04239	1.0
131.04904	1.6
131.08443	0.5
135.04390	26.8
136.04733	0.7
137.02286	3.3
139.03874	40.1
141.06935	1.1
143.04843	1.2
145.06384	0.7
147.04401	4.8
149.02312	4.1
149.05943	1.4
151.03871	8.1
159.04297	3.1
161.05952	3.2
162.49434	0.6
163.03877	32.1
165.05475	5.3
167.03360	6.3
169.06494	1.3
173.05988	3.0
175.03867	3.2
177.05440	3.4
179.03329	2.7
181.04955	0.8
183.04378	0.7
185.05968	0.6
187.03828	4.9
189.05403	1.8
191.03358	9.5
193.04971	2.8
197.06018	3.4
201.05495	5.3
203.03369	6.8
203.07013	2.1
205.04948	1.8
207.06520	1.2
213.05545	1.4
215.03407	1.1
215.06993	2.6
217.04901	1.1
219.06610	0.8
225.05402	1.3
229.04880	5.8
231.06567	0.8
233.04431	4.7
241.05017	1.0
243.06528	4.5
245.04433	4.8
247.05977	13.9
253.04991	1.0
255.06378	1.9
257.04425	8.5
259.05963	8.5
269.04449	2.7
271.05984	17.1
273.07547	0.8
275.05435	14.7
283.06036	5.9
287.05438	18.5
287.08640	1.0
289.07001	15.7
291.08597	12.4
297.07434	0.8
299.05527	3.4
301.06995	11.4
303.08539	1.9
311.05551	0.6
323.76083	0.6
330.85440	0.5
332.72623	0.6
409.09116	21.2
410.09579	0.8
411.10535	4.2
421.09073	1.7
427.10229	6.6
435.10938	1.1
439.10330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08920	0.7
53.03930	0.7
55.05481	2.9
57.07063	7.2
67.05492	4.1
69.07050	5.7
71.08617	7.3
76.61551	0.7
79.05475	1.2
79.92851	0.7
81.03398	8.2
81.07040	5.6
83.04965	1.0
83.08601	1.4
85.10147	3.6
89.26564	0.7
91.05432	1.7
93.07014	1.3
95.04949	2.1
95.08607	5.0
97.06474	0.9
98.20636	1.5
105.07008	0.8
107.08621	0.9
107.53172	0.8
108.94917	0.7
109.02882	6.1
109.06472	0.8
109.10099	0.8
123.04393	3.1
133.06435	0.9
137.05936	1.6
155.14233	1.5
206.33304	0.7
207.17467	4.5
225.18443	0.8
235.16890	16.6
249.18541	1.2
263.16302	5.5
361.30930	100.0
362.31357	2.6
371.28992	0.8
389.30429	48.6
544.82574	0.8
554.67572	1.0
577.51147	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	577.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.7
55.01860	5.2
55.05502	39.4
56.61143	1.7
57.03434	15.4
57.07057	5.5
59.04971	3.3
65.03928	3.0
67.05498	93.0
69.03423	4.3
69.07059	33.6
71.04975	16.7
71.08597	3.1
71.81528	2.4
79.05018	2.0
79.05483	66.1
81.03407	27.0
81.07044	100.0
83.04977	11.7
83.08616	24.7
85.02896	2.4
85.06532	10.2
86.09690	3.1
91.05468	52.0
93.07034	74.8
95.04950	20.0
95.08596	60.7
97.06522	11.9
97.10162	15.6
99.08109	5.4
105.07016	54.9
107.04933	4.6
107.08575	47.2
107.09303	2.3
109.06500	5.6
109.10145	34.5
111.08039	6.8
115.05415	3.1
117.07008	22.4
119.08572	42.7
121.06477	4.3
121.10134	37.3
123.08026	5.9
123.11695	14.1
125.09615	14.7
128.06155	2.4
129.06970	13.0
131.08551	36.8
133.10107	30.5
135.08049	5.2
135.11678	17.9
137.09570	4.3
137.13252	4.6
139.11148	3.4
141.06958	2.3
142.07831	2.4
143.08560	18.7
145.10110	26.9
147.07994	4.3
147.11659	23.2
149.09579	6.5
149.13220	8.1
151.11209	3.4
154.39500	2.2
155.08534	8.0
157.10115	14.8
159.11681	19.9
161.09547	3.3
161.13223	13.8
163.11145	6.1
163.14787	5.2
165.12764	3.0
169.10077	9.2
171.10373	2.4
171.11665	15.2
173.09648	2.8
173.11772	3.2
173.13191	15.0
175.11115	3.2
175.14796	6.9
177.12671	2.7
181.10114	4.4
181.12155	3.1
183.11716	9.2
183.13226	1.8
184.07333	8.1
185.13255	8.2
187.14787	9.0
189.11192	9.3
189.16351	3.2
193.09988	2.2
193.12206	11.0
195.11746	3.7
197.13248	7.5
199.13228	3.2
199.14835	4.7
201.12871	2.5
201.16406	3.5
203.17952	2.3
207.11777	2.5
207.17522	2.4
209.13341	2.9
211.14839	6.5
221.13274	2.5
223.14891	2.7
227.12738	16.4
229.14363	2.8
235.16815	6.5
243.21107	2.9
259.20520	2.9
261.22095	8.1
267.15872	28.9
269.17352	2.4
271.20807	2.1
275.20093	2.1
284.67715	1.9
285.22070	4.9
287.23499	2.8
289.21442	5.8
291.19547	3.0
293.21112	8.1
297.22156	3.8
299.14941	2.5
299.23621	3.1
301.25281	13.5
303.23132	5.1
313.21661	2.8
315.23123	2.9
317.24585	3.6
327.22989	2.3
333.24194	3.9
335.25858	22.8
341.24594	2.4
361.30988	25.8
363.25125	6.9
389.30576	14.6
417.31302	6.7
421.25580	2.1
435.27216	3.8
435.32516	19.7
453.33710	16.9
471.34875	11.4
501.36148	3.4
509.36243	10.9
527.29712	4.2
527.37292	76.6
545.38348	75.3
559.39392	16.2
577.40247	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.4
55.01855	6.2
55.05500	35.1
57.03428	13.1
57.07066	5.4
59.04979	4.3
65.03917	5.2
67.05493	87.7
69.03401	2.6
69.07059	22.5
71.04975	12.7
74.78697	2.0
77.90871	1.9
79.05013	3.2
79.05480	61.7
81.03402	24.1
81.07040	99.2
83.04955	6.7
83.08613	17.7
84.24969	1.9
85.06544	10.7
89.18382	2.0
91.05463	56.5
93.07024	65.0
95.04953	16.3
95.08585	52.0
97.06514	11.4
97.10164	21.3
98.20618	3.2
99.08106	3.9
105.04477	2.9
105.07012	52.5
107.04952	3.5
107.07901	2.5
107.08581	38.3
109.06488	5.9
109.10139	31.1
111.08046	4.8
115.05434	3.6
117.06990	22.4
119.08562	44.3
121.06525	5.7
121.10126	29.1
123.08032	3.8
123.11681	10.0
125.09607	12.1
128.06181	3.5
129.06966	12.1
131.08548	32.8
133.10114	27.6
135.07983	6.4
135.11667	11.9
137.09564	2.9
137.13226	4.4
139.11121	3.8
141.06999	4.8
142.07726	2.8
143.08551	14.7
145.06374	2.4
145.10095	31.2
147.08168	2.3
147.11642	28.9
149.09613	5.1
149.13220	7.2
151.11134	2.5
155.08557	6.4
156.97235	2.0
157.10133	14.7
159.11624	20.4
161.13232	16.1
161.37894	2.2
163.11194	3.0
163.14819	2.3
165.12718	3.1
167.08531	2.4
167.10796	1.9
169.10086	7.1
171.10394	2.5
171.11620	12.9
173.13210	17.5
175.11197	4.6
175.14810	9.6
177.12782	2.6
177.16379	1.9
181.10088	3.9
183.11650	7.4
185.13219	8.0
187.14764	8.1
189.11182	10.5
189.16322	2.0
193.12206	13.0
195.11694	4.7
195.13745	2.6
197.13260	6.0
199.14824	8.8
201.16342	2.7
209.13336	4.1
211.14919	3.6
213.16434	3.2
223.14919	3.1
227.12701	16.9
235.16866	4.3
239.16220	3.7
243.21017	4.1
244.55280	2.4
247.16888	3.3
249.18456	2.1
259.20456	2.3
261.18411	2.4
261.22055	9.0
267.15808	26.4
278.14252	2.4
279.23172	4.1
285.21973	4.0
287.20016	2.5
287.23535	5.3
289.21625	8.2
299.23520	5.0
301.22211	3.2
301.25061	12.5
303.22992	4.5
317.24734	2.8
333.24200	3.0
335.25748	21.2
347.25739	3.0
355.26312	2.9
359.25449	3.0
361.31006	20.7
363.25259	6.4
389.30493	8.4
417.31442	4.6
435.27341	4.6
435.32553	19.5
453.33572	19.9
471.34570	10.1
501.35345	2.5
509.36429	10.2
527.37238	100.0
528.37274	2.7
545.30048	5.0
545.38257	77.4
546.38977	2.4
559.39893	19.4
577.40948	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13150	6.3
53.03929	8.3
55.01859	6.7
55.05292	4.7
55.05508	45.6
56.23180	5.7
57.03428	12.0
57.07055	13.0
57.84497	5.0
67.05495	85.1
69.07050	20.4
71.04963	7.6
71.08603	10.8
71.78855	7.2
79.05478	49.4
81.03384	9.8
81.07041	93.6
83.04975	15.8
83.08594	28.5
91.05440	44.7
93.07018	61.2
95.04958	17.3
95.08595	60.4
97.06520	6.9
97.10159	21.6
105.06991	33.1
107.04906	9.8
107.08590	39.9
109.02880	12.6
109.06518	8.9
109.10125	33.3
111.08102	7.5
116.67989	5.6
117.07014	16.4
119.08544	36.6
121.10141	24.1
123.04397	9.5
123.11707	10.8
125.09644	23.0
129.06990	12.9
131.08562	30.2
133.10110	36.1
135.11670	20.5
137.13406	6.4
143.08521	13.9
145.06386	6.3
145.10109	20.3
147.11685	19.9
149.02327	9.1
149.13237	6.1
151.11205	11.7
157.10074	13.5
161.09637	6.8
171.11676	13.2
173.13292	13.9
177.49336	5.7
185.13245	11.3
189.11250	7.2
199.14789	7.0
207.52602	6.8
225.11304	9.7
227.12767	14.7
235.17064	15.0
259.20526	10.7
261.22202	20.3
277.21564	8.2
283.15167	9.8
287.23663	12.9
299.14804	31.7
315.23071	15.7
335.25830	29.0
361.31021	38.7
389.30710	28.1
393.31622	6.1
396.73288	6.7
403.30356	5.7
421.30969	14.1
467.31448	24.8
481.62384	6.6
485.32440	23.9
513.35339	19.9
515.37659	8.2
531.36920	20.0
541.35181	57.3
559.36285	100.0
577.37189	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
55.01859	7.0
55.05503	47.0
56.95791	2.7
57.03415	12.0
57.07071	5.6
59.04985	3.7
59.30673	3.0
60.21689	3.1
65.03920	4.5
67.05491	96.5
69.03428	4.3
69.07055	32.2
71.04971	3.2
71.08627	6.8
73.86587	3.6
77.86367	3.0
79.05475	60.9
81.03399	5.7
81.07035	96.4
82.57545	2.8
83.04962	11.3
83.08591	26.6
85.06509	3.3
88.90900	3.1
91.05456	52.9
93.07022	61.6
93.07567	2.7
95.04947	12.8
95.08582	66.8
97.02929	4.9
97.06506	9.8
97.10145	34.0
98.21437	10.0
99.00834	6.8
105.07009	47.7
107.04940	6.3
107.08559	50.0
109.02862	13.2
109.06489	5.0
109.10144	30.6
111.04418	5.6
111.08076	9.1
113.06027	3.9
117.06988	20.8
119.08567	41.0
121.06488	6.9
121.10140	28.2
123.04406	5.4
123.08077	4.5
123.11687	12.2
125.09625	19.0
129.06999	7.1
131.08542	25.3
133.10100	42.7
135.08020	3.4
135.11693	25.0
137.13243	5.7
139.07590	3.6
143.08556	13.2
145.10092	28.2
147.08018	6.4
147.11668	16.4
149.02341	13.1
149.09621	7.0
149.13243	15.1
151.11163	8.8
153.09076	3.5
153.12730	4.5
155.08504	6.7
157.10124	11.4
159.11667	23.2
161.09602	17.4
161.13243	10.9
163.11099	7.4
163.14862	5.0
169.10120	10.3
171.11678	9.9
173.13261	13.6
175.11084	3.3
175.14815	5.4
179.10678	5.5
179.14488	3.6
183.07936	3.2
183.11728	8.8
185.13171	6.4
187.14780	5.9
189.09096	8.4
189.11189	12.9
191.10568	3.7
193.04936	6.0
195.11674	4.6
197.13263	5.1
199.14783	7.0
206.13823	4.1
207.10060	4.2
211.14828	3.9
225.11169	13.4
227.12680	19.5
229.89299	3.4
235.17010	4.4
241.19495	4.3
243.12245	7.0
243.21124	6.2
259.20474	10.7
261.22122	28.7
269.17505	4.7
269.22678	3.8
273.18542	3.3
277.21570	10.3
281.13870	4.6
283.15405	5.4
287.23615	7.1
291.19537	7.2
299.14883	32.5
315.23151	17.5
317.24680	5.0
333.24216	7.0
335.25812	32.3
351.25531	3.6
361.30936	20.9
380.08655	3.1
389.30414	12.2
403.29871	5.0
421.30966	9.0
439.32169	7.8
449.30325	15.5
457.33176	8.2
467.31372	18.0
485.32504	25.6
495.34543	3.9
513.35596	23.0
515.36908	7.1
518.29926	3.7
523.33875	4.3
531.36774	24.9
532.37164	3.5
541.35114	70.6
542.35419	6.1
559.36194	100.0
560.36591	4.2
577.13513	7.5
577.37598	31.1
577.45612	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	577.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	3.4
53.03940	5.4
55.01859	10.0
55.05262	3.5
55.05504	47.6
57.03430	11.9
57.07057	6.0
58.80978	1.9
59.04992	4.5
65.03922	3.8
65.10957	2.1
67.05130	5.0
67.05492	97.2
69.03405	3.1
69.07054	27.2
71.04970	7.6
73.06528	2.0
76.68558	2.0
79.05479	60.8
81.03408	3.8
81.07042	100.0
83.04963	9.6
83.08606	26.7
85.06524	7.0
91.05460	53.7
93.07026	66.9
95.04977	10.9
95.08590	67.7
97.02840	3.2
97.06506	10.5
97.10152	30.5
99.00791	8.5
99.04491	2.4
103.05453	2.7
105.07009	53.2
107.04941	7.4
107.07889	4.1
107.08572	52.2
109.02844	11.2
109.06502	4.9
109.10133	38.3
111.04397	6.1
111.08049	8.4
111.11720	2.2
117.07003	18.8
119.08552	34.4
120.27871	2.2
121.06441	7.4
121.10126	28.0
123.08046	4.9
123.11707	16.2
125.09586	29.4
128.06189	3.5
129.06953	10.1
130.14871	2.2
131.08540	28.5
133.10100	55.7
135.08023	6.8
135.11662	23.9
137.09607	3.4
137.13229	6.1
141.06935	3.2
142.07683	2.8
143.08539	14.8
145.10086	22.6
147.07983	5.4
147.11662	18.4
149.09540	3.5
149.13223	9.1
151.11131	10.9
153.09137	2.8
153.12703	6.2
155.08527	6.8
157.10123	10.9
159.08054	3.1
159.11664	20.0
161.09613	17.9
161.13228	11.0
163.11145	6.5
163.14828	3.8
167.08589	3.0
169.10097	8.3
171.08047	3.4
171.10300	2.3
171.11667	9.2
173.09604	3.3
173.11935	2.6
173.13245	17.0
175.11111	2.4
175.14821	7.1
179.10606	8.4
181.10130	2.0
181.12149	4.4
183.11641	10.0
185.09514	2.1
185.13226	9.2
187.11133	2.9
187.14807	6.7
189.09084	8.9
189.11156	14.0
189.16309	2.6
191.10706	3.2
195.11624	3.1
197.11682	3.3
197.13344	4.8
199.10910	2.2
199.14870	6.4
201.16428	3.0
207.10098	4.2
209.13286	3.3
211.14914	2.6
213.16371	3.2
219.17393	2.4
225.11163	16.1
225.16330	3.1
227.12700	20.5
229.93130	2.7
241.19470	3.5
243.12189	5.1
243.21068	5.2
245.13817	2.9
253.19450	3.7
259.20547	8.8
261.22067	32.0
269.22629	2.3
277.21616	7.8
279.23260	6.2
281.13821	4.4
283.15387	5.7
287.23636	8.1
295.20541	3.5
297.22159	2.7
299.14813	34.7
299.19882	3.1
301.16174	2.7
313.21414	4.1
315.23233	15.3
315.26395	2.4
317.24591	5.5
333.24423	3.7
335.25742	29.4
361.27301	3.4
403.29684	2.5
413.28592	2.4
421.30777	9.7
439.32101	10.3
444.20447	2.3
449.30362	12.0
457.32928	6.6
467.31564	20.8
485.32281	21.1
495.34644	3.7
513.35547	21.8
515.37256	3.7
519.36566	5.9
523.34137	4.0
527.37500	10.7
531.36798	19.4
541.26660	3.8
541.35077	73.9
542.35492	8.0
545.38464	13.6
559.36060	74.2
560.36090	8.5
577.23700	3.6
577.36871	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	577.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07811	1.7
53.00282	2.2
53.03928	5.7
55.01861	11.2
55.05503	45.4
56.17974	2.0
57.03426	10.7
57.07051	7.2
59.04991	3.3
65.03921	3.6
67.05495	88.3
69.03416	3.4
69.07063	27.9
71.04969	7.4
71.05319	1.7
71.08608	4.8
73.57379	1.8
75.44772	2.0
79.05479	56.4
81.03408	9.5
81.07043	100.0
83.04958	10.4
83.08601	32.3
85.02885	2.9
85.06527	4.4
85.10143	2.2
85.93531	1.9
86.09679	5.0
89.23598	1.6
91.05463	47.5
93.07029	58.0
95.04949	13.6
95.08590	65.0
97.02895	3.1
97.06517	9.1
97.10152	28.5
98.21416	5.1
99.00787	9.3
99.04430	2.0
99.08083	2.1
103.05424	2.1
105.06314	3.2
105.07004	44.5
107.04932	6.4
107.08572	47.0
109.02874	15.4
109.06491	5.7
109.10133	36.1
110.32480	1.7
111.04416	6.1
111.08054	8.0
115.05423	2.8
117.06992	21.2
119.08550	32.7
121.06480	6.8
121.10123	32.3
123.04385	4.9
123.08049	3.8
123.11689	15.0
125.09601	24.8
127.04006	2.1
128.06169	4.3
129.06973	12.3
131.08540	23.7
133.06451	4.2
133.10114	45.8
135.08047	6.4
135.11670	21.5
137.09581	4.4
137.11259	1.9
137.13222	5.6
139.07558	2.9
139.53178	2.2
141.07002	3.5
143.08531	15.7
145.06441	2.2
145.10120	26.6
147.08070	2.1
147.11671	20.2
149.09563	4.4
149.13220	11.0
151.11145	8.3
153.09079	2.7
153.12700	2.6
155.08540	6.9
155.14249	1.9
157.10089	11.6
159.08029	2.3
159.11644	15.3
161.09561	13.2
161.13213	15.3
163.11154	6.5
163.14769	5.2
169.10101	6.2
171.08028	4.0
171.11632	10.8
173.09676	3.1
173.13231	14.3
175.11142	3.1
175.14763	5.0
177.16406	2.1
179.10632	5.8
181.10123	4.4
181.12152	3.4
183.11659	7.6
184.07289	7.5
185.09579	2.6
185.13223	8.5
187.14839	9.4
189.09065	7.0
189.11192	14.7
189.12691	3.3
189.16350	2.7
191.10648	2.2
193.10020	2.4
195.11687	3.7
197.13217	6.1
199.14767	6.9
201.12700	2.0
201.16277	3.1
207.09987	3.3
207.17398	2.6
209.13329	2.8
211.14856	3.6
213.12761	2.3
219.17462	2.4
221.13200	2.1
223.14774	2.8
225.11197	14.2
227.12726	17.9
231.21092	2.2
235.14815	3.2
235.16869	12.7
241.19513	2.5
243.12224	3.9
243.21049	7.0
259.20578	8.6
261.22092	30.4
271.20703	2.5
273.18558	2.1
277.21609	7.5
279.23206	6.2
281.13858	5.1
283.15332	3.9
287.23715	8.4
289.21594	2.1
297.21933	5.8
299.14807	36.6
299.19916	4.1
301.16226	2.5
315.23096	17.6
317.24829	4.0
333.24261	5.4
335.25812	32.4
359.22226	2.6
361.30954	64.1
389.25931	2.1
389.30402	26.0
403.29828	3.3
405.82050	2.2
417.31232	2.1
421.31036	12.3
435.32571	3.1
439.31805	5.3
449.30746	10.6
453.33664	3.6
457.33038	6.3
467.31451	18.7
468.31940	2.4
471.34601	2.4
472.75195	1.9
485.32538	17.4
495.34363	5.1
503.33459	2.5
513.35529	18.3
515.37195	5.7
519.36719	4.8
523.34070	3.6
527.37164	11.2
531.36761	19.6
533.38074	3.0
541.35193	67.7
542.35474	4.6
545.38208	13.3
549.37378	2.6
559.36102	76.0
560.36383	3.6
577.36646	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	577.1542
Annotation	Maysin
Peak:m/z	Relative Intensity
57.03418	3.3
57.20829	1.4
65.89034	1.4
69.03419	2.2
70.93407	3.5
70.93778	3.0
81.03416	2.1
85.02896	6.3
87.04471	2.2
87.58765	1.5
88.81612	1.4
92.60683	1.7
93.03429	1.4
97.02879	2.1
101.89629	1.5
103.03899	1.8
107.04938	2.1
109.02816	3.5
119.04911	9.6
121.02840	30.7
121.03646	2.8
123.04472	1.5
127.03916	4.8
131.04980	1.9
135.59517	1.8
141.68250	1.9
145.02844	4.6
147.04225	1.7
151.03947	2.1
163.03854	3.1
165.01918	3.7
177.01782	2.8
179.03380	5.8
189.01785	10.4
191.03374	4.0
195.02855	7.5
199.03859	2.9
203.03348	10.1
207.02823	11.3
209.04424	1.7
215.03433	1.9
217.04921	9.3
219.02859	4.4
221.04413	6.2
227.03476	2.2
229.04933	3.8
231.02826	3.6
239.58376	1.6
243.03023	1.9
255.02895	3.8
255.06561	2.1
267.06525	3.3
268.07224	6.3
273.03882	3.6
279.06461	5.1
280.07327	2.4
281.04584	1.7
281.08075	2.6
283.05948	21.9
284.06497	2.5
292.07407	1.9
293.07983	4.3
294.05084	15.3
295.05951	100.0
296.06729	8.6
297.07568	20.9
307.05960	74.2
308.06616	16.7
309.07443	22.0
311.05463	2.0
312.06119	3.7
313.07089	2.8
317.08044	2.8
319.06027	9.3
320.06821	5.8
321.07498	38.8
322.08160	9.5
323.05386	6.9
323.08835	3.9
324.06454	2.3
325.06998	68.8
326.07709	5.7
333.07404	10.3
334.04736	3.5
335.05301	6.6
335.09070	27.1
336.06198	6.0
337.07013	42.6
337.10907	3.6
339.08560	3.6
345.07529	4.5
346.08154	2.2
347.05484	2.5
347.09036	11.1
349.07013	33.6
349.11105	2.5
350.07877	5.1
351.08478	14.7
353.06573	6.8
355.08136	3.0
357.07416	2.4
360.06168	2.7
361.06934	17.6
362.07663	2.3
363.08664	21.5
365.06384	4.4
365.10211	4.6
367.08044	5.1
371.07703	2.6
373.07056	12.4
375.08652	8.8
377.06229	7.9
378.07297	4.6
379.08063	24.2
380.08566	2.1
385.06964	7.0
387.08670	4.4
389.10266	2.2
391.08054	54.4
392.08548	2.6
393.09570	5.4
395.07666	3.0
403.07834	13.1
405.09525	2.4
407.07465	3.0
409.09094	52.7
410.09210	2.0
415.10071	6.9
417.09589	2.8
419.07620	4.4
421.09045	20.5
427.10132	34.9
435.10455	2.6
437.08670	3.1
439.10239	27.7
445.09027	4.6
457.11212	52.0
459.10541	2.3
463.10019	11.4
475.10049	11.5
481.11234	68.2
487.10065	5.8
493.11166	22.8
505.11197	24.3
511.12268	34.0
523.12183	37.6
541.13354	52.6
542.13489	3.0
559.14294	29.9
577.15955	2.0
577.27429	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	2.0
57.03428	3.9
64.93013	1.6
65.03934	2.1
67.02151	1.8
69.03413	4.5
70.41692	3.3
70.42105	6.1
72.90262	1.5
73.02907	3.9
81.03408	4.8
83.71265	1.6
85.02894	8.5
93.03391	3.3
97.02885	3.3
99.04436	2.4
103.03905	3.2
107.04922	2.4
109.02844	6.4
111.04446	4.2
119.04928	9.6
121.02842	41.1
123.04430	5.7
127.03899	28.5
135.04417	3.6
139.03888	2.7
145.02832	2.7
145.04948	1.8
147.04381	2.7
151.03922	3.5
161.05864	2.0
163.03835	5.6
165.01859	3.1
171.04362	1.9
175.03818	2.5
177.01846	3.2
179.03371	4.3
181.04939	2.2
187.04033	2.2
189.01825	7.6
191.03310	4.4
195.02872	13.2
195.62677	2.0
203.03343	13.3
205.04907	2.5
207.02913	9.7
209.04451	2.4
217.04973	6.6
219.02878	6.6
221.04485	5.5
227.03435	2.4
229.04958	4.3
231.02899	3.3
233.04526	4.3
235.06003	2.1
243.02843	2.8
245.04385	3.8
255.02757	2.8
267.06708	2.2
268.07367	5.7
273.03970	2.4
279.06372	4.5
280.07388	2.9
281.08051	3.1
283.05896	18.4
284.06366	2.2
292.07166	2.5
293.07932	4.5
294.05280	11.1
295.05963	100.0
296.06583	10.9
297.07526	17.3
298.08264	2.1
303.04922	2.3
305.08047	2.6
307.06009	70.3
308.06693	17.7
309.04037	3.1
309.07465	26.7
311.05481	4.2
312.06219	2.5
313.07043	7.8
319.06094	9.3
319.09323	2.7
320.06589	4.4
321.07529	44.6
322.08282	8.7
323.05441	14.2
323.09076	7.6
324.06253	2.2
325.07013	83.6
326.07715	3.0
333.07489	12.1
335.05402	8.6
335.09073	23.8
336.06155	6.3
337.06982	46.1
339.08618	5.8
345.07431	2.8
346.08197	3.9
347.05521	2.6
347.09113	14.9
349.07034	41.8
350.07922	4.9
351.04932	2.8
351.08646	19.1
353.06464	26.8
353.10443	2.7
355.07874	4.4
357.07285	2.3
361.06927	17.6
361.10495	1.9
363.08594	19.7
365.06326	8.4
365.10504	9.9
367.08060	5.6
373.07065	8.4
375.08578	17.9
377.06366	12.9
378.07703	2.8
379.08008	27.3
385.06885	4.4
387.08484	3.9
389.10272	4.5
391.08075	34.4
393.09598	14.6
395.07669	6.0
397.09259	2.5
403.07913	14.4
407.07715	6.0
409.09131	37.2
417.09494	5.1
419.07596	4.7
421.09094	39.4
427.10229	26.5
433.09363	2.6
435.10870	2.3
437.08765	2.6
439.10233	86.5
445.09048	5.1
455.09708	2.5
456.10239	2.8
457.11240	57.2
459.10703	3.0
463.10095	10.8
473.10419	3.1
475.10083	8.2
477.11978	2.6
481.11163	42.1
487.10208	5.3
493.11227	13.4
495.12833	3.9
497.10614	4.3
505.11270	17.5
511.12466	13.9
515.11682	4.7
523.12299	38.1
541.13361	63.5
559.14410	47.0
577.15070	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	576.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01851	0.9
56.00277	0.6
57.03409	1.5
60.42331	0.6
61.02909	1.5
69.03416	10.1
70.06568	1.2
70.25719	2.0
70.26139	1.4
71.04977	3.1
73.02902	3.1
73.06534	1.4
73.61659	0.6
78.06900	0.6
79.05486	0.8
81.03397	10.0
83.04951	1.3
85.02887	59.6
86.09678	1.1
87.04418	1.0
91.55370	0.6
97.02874	18.6
99.04437	30.2
103.03921	76.7
106.87854	0.6
109.02863	15.2
111.00782	0.7
111.04397	1.0
120.08062	0.9
123.04412	5.3
127.03889	100.0
135.04445	3.6
137.02272	0.9
139.03871	2.4
145.04927	48.0
147.04367	0.9
163.03983	8.9
163.05984	73.9
164.04250	0.9
169.05006	1.4
169.06480	0.6
180.08478	0.8
186.07646	0.7
187.04065	0.6
187.04355	0.7
187.05998	4.8
193.04916	0.7
205.07059	4.8
229.07074	0.9
238.07202	0.7
245.04404	2.2
247.05988	2.2
253.07111	1.7
271.05695	0.9
271.08136	9.7
287.05511	2.4
289.06360	1.1
289.09186	13.2
295.05923	1.6
299.05429	0.8
307.06625	1.2
307.10159	34.4
308.10776	0.7
325.06903	0.8
379.15942	1.5
404.76752	0.7
407.07474	1.1
409.09277	1.7
415.12296	2.4
425.08636	1.1
430.46347	0.7
433.13193	2.5
445.21909	1.7
457.11087	1.4
541.11517	1.0
577.25806	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	35.2
55.61887	1.9
55.90361	1.9
57.07063	67.8
65.03926	4.0
67.05492	47.2
68.05833	2.1
69.07053	66.8
71.08618	57.5
71.83006	2.6
74.77056	1.9
79.05493	13.7
81.07039	88.2
82.07368	3.3
83.08600	52.8
85.06001	2.1
85.10165	44.0
87.04452	7.6
91.05462	5.0
93.07030	11.4
95.04951	2.7
95.08588	100.0
96.08920	3.0
97.06502	3.2
97.10146	56.1
99.11706	5.4
105.07010	3.7
107.08592	6.8
109.10135	59.4
109.18478	2.1
111.11699	33.3
113.13305	6.1
119.08535	2.9
121.10155	4.9
123.11686	23.6
125.13251	17.3
127.14925	2.7
131.82930	2.2
133.10054	2.8
135.11627	3.3
137.13228	15.8
139.14830	8.8
141.16370	2.7
149.13208	2.6
151.14803	9.7
153.16486	2.5
165.16431	7.7
179.17915	3.9
235.24414	2.2
239.23744	3.3
261.18021	2.3
291.30728	2.8
353.06314	2.6
540.43054	2.4
557.60071	18.3
575.41766	2.9
575.50244	76.4
575.61121	12.1
576.50574	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	576.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01851	0.9
56.00277	0.6
57.03409	1.5
60.42331	0.6
61.02909	1.5
69.03416	10.1
70.06568	1.2
70.25719	2.0
70.26139	1.4
71.04977	3.1
73.02902	3.1
73.06534	1.4
73.61659	0.6
78.06900	0.6
79.05486	0.8
81.03397	10.0
83.04951	1.3
85.02887	59.6
86.09678	1.1
87.04418	1.0
91.55370	0.6
97.02874	18.6
99.04437	30.2
103.03921	76.7
106.87854	0.6
109.02863	15.2
111.00782	0.7
111.04397	1.0
120.08062	0.9
123.04412	5.3
127.03889	100.0
135.04445	3.6
137.02272	0.9
139.03871	2.4
145.04927	48.0
147.04367	0.9
163.03983	8.9
163.05984	73.9
164.04250	0.9
169.05006	1.4
169.06480	0.6
180.08478	0.8
186.07646	0.7
187.04065	0.6
187.04355	0.7
187.05998	4.8
193.04916	0.7
205.07059	4.8
229.07074	0.9
238.07202	0.7
245.04404	2.2
247.05988	2.2
253.07111	1.7
271.05695	0.9
271.08136	9.7
287.05511	2.4
289.06360	1.1
289.09186	13.2
295.05923	1.6
299.05429	0.8
307.06625	1.2
307.10159	34.4
308.10776	0.7
325.06903	0.8
379.15942	1.5
404.76752	0.7
407.07474	1.1
409.09277	1.7
415.12296	2.4
425.08636	1.1
430.46347	0.7
433.13193	2.5
445.21909	1.7
457.11087	1.4
541.11517	1.0
577.25806	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.8
53.03935	5.3
55.01871	13.0
55.05502	43.5
57.03431	11.1
57.07061	7.8
57.70805	2.0
59.05000	2.5
65.03925	5.2
67.05494	100.0
69.03416	4.9
69.06728	2.4
69.07063	31.7
71.04989	19.3
71.08609	4.3
71.31307	4.7
79.05479	75.6
79.08848	1.8
80.05800	2.0
81.03402	26.8
81.07043	88.8
83.04963	15.5
83.08605	24.9
85.02893	5.5
85.06528	8.1
90.16883	1.6
91.05467	77.8
93.07027	73.0
94.07351	2.4
95.04951	24.1
95.08591	63.1
97.02882	2.2
97.06502	14.0
97.10156	22.7
99.08083	9.3
103.05428	4.2
105.07022	58.1
106.07346	2.3
107.04917	14.3
107.08575	41.6
108.08920	1.8
109.06513	10.4
109.10138	32.7
111.04425	4.8
111.08074	6.6
113.46265	1.5
115.05445	4.1
117.07001	28.8
119.08563	46.4
121.06509	9.5
121.10137	33.9
123.08047	9.4
123.11713	8.6
125.09605	17.9
128.06210	5.2
129.06984	24.8
130.07791	3.0
131.08548	40.6
133.06473	7.5
133.10101	38.0
135.08035	9.9
135.11691	13.2
137.09625	5.9
139.11180	2.0
141.06958	7.6
142.07761	6.2
143.08545	22.7
145.06502	3.7
145.10114	30.1
146.17758	1.9
147.08052	8.2
147.11681	17.5
149.09605	16.3
149.13234	3.6
151.11156	6.8
153.12787	1.9
155.08551	14.7
156.09329	3.4
157.10094	29.8
159.08038	6.1
159.11679	27.1
161.09575	6.9
161.13214	8.3
163.11166	6.8
165.12794	3.0
167.08569	5.5
168.09337	2.6
169.10106	16.2
170.10733	1.7
171.08099	2.3
171.11684	16.1
173.09615	6.2
173.13188	14.7
175.11148	10.0
175.14745	3.0
177.12781	3.1
181.10092	7.4
183.11632	14.5
185.09631	4.0
185.13193	12.7
187.11163	2.3
187.14812	6.3
189.11191	10.6
189.12761	4.3
193.10358	3.3
193.12222	11.1
195.11700	12.6
195.13443	2.6
197.13261	10.3
199.11160	3.5
199.14819	7.6
201.12733	1.7
201.16470	2.8
205.15906	2.8
207.11813	2.7
209.13341	8.7
211.13084	10.6
211.14937	4.2
213.16432	3.3
215.14156	1.9
217.15877	2.6
219.13765	1.9
221.13173	2.6
223.14908	3.9
225.16362	3.2
227.12730	16.0
227.17894	3.1
235.14734	2.1
235.16864	3.3
237.16315	2.3
245.18948	3.6
253.14346	5.9
255.17397	2.7
259.20392	2.2
267.15833	8.6
271.20374	2.4
273.18564	12.6
275.20090	5.6
283.15329	2.6
283.20447	5.5
285.22095	4.6
287.19980	3.4
291.19504	22.7
295.20398	1.9
297.21964	4.1
299.20160	3.4
299.23444	11.5
301.21680	3.0
303.23325	2.5
313.21390	2.9
321.22107	3.5
323.23563	2.5
335.23584	3.0
339.23163	3.0
341.24753	2.4
347.22235	5.8
353.24753	2.8
355.26208	2.0
357.24017	2.1
359.26227	2.2
365.23373	5.2
383.18451	3.4
415.29736	7.3
421.25668	8.8
433.30829	16.1
443.27750	3.0
451.31906	16.6
458.23816	1.9
463.26874	2.5
469.32941	7.8
471.32639	2.2
477.28375	6.7
483.35114	2.4
499.33978	2.3
507.34662	9.2
517.35187	20.4
525.35718	61.3
526.35876	4.0
539.37048	1.8
543.36731	57.5
543.45105	3.0
544.36633	2.1
557.38910	21.3
575.38031	39.9
575.50195	8.8
576.36023	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15100	0.9
58.22476	0.7
65.16602	0.7
69.65179	6.7
82.02937	1.6
90.19385	0.8
94.06559	2.8
95.04958	0.8
95.67274	0.8
104.04964	1.0
114.03816	0.7
130.06506	59.5
132.04431	27.3
132.05440	1.3
135.04390	1.7
141.06625	0.7
145.04877	0.8
148.05934	0.9
148.07600	1.3
157.07588	58.6
158.05992	63.4
159.06258	0.8
159.09192	0.9
163.03856	8.1
175.08644	80.5
176.07103	1.3
176.09024	0.9
185.07063	2.9
186.05446	1.6
203.08125	100.0
204.06560	2.4
204.08415	0.9
215.21657	0.9
221.09181	77.3
222.09511	1.2
272.82153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.4
53.03941	5.5
55.01861	14.9
55.05502	46.3
57.03428	12.8
57.07060	2.7
59.04975	2.1
65.03925	4.4
66.28061	1.2
67.05493	68.2
69.03419	14.8
69.07056	37.4
71.04977	9.0
71.08596	1.7
71.78827	1.7
73.06513	1.3
79.05006	2.1
79.05479	63.2
81.03404	46.3
81.07041	69.6
83.04971	18.3
83.08604	31.9
83.09119	1.6
85.02889	17.9
85.06519	3.7
87.04433	1.2
91.05465	60.7
93.07028	50.6
94.07336	1.2
95.04954	33.0
95.08591	30.7
97.02868	11.1
97.06519	13.2
97.10151	28.0
99.08111	1.2
103.05457	2.6
105.04525	1.1
105.07014	43.1
107.04942	21.2
107.08572	34.5
109.02967	1.4
109.06502	11.2
109.10136	18.1
111.04427	5.5
111.08036	8.1
113.06004	1.7
115.05439	3.5
116.06262	1.1
117.06998	14.5
119.04928	2.5
119.08565	41.2
119.09393	2.5
119.61709	1.0
121.06465	9.3
121.10129	19.7
123.08038	11.8
123.11691	7.7
125.09612	21.3
128.06195	2.6
129.06981	15.1
130.07753	1.4
131.04900	2.1
131.08557	23.4
131.09540	1.1
132.05647	1.1
133.06476	9.2
133.10110	23.5
135.08032	7.7
135.11665	7.7
137.09581	6.7
141.06992	2.4
142.07774	3.5
143.08524	9.1
143.10709	1.6
145.06503	3.5
145.10101	19.0
147.08032	13.5
147.11667	24.8
149.09581	11.6
149.13205	3.2
151.11172	3.5
153.09102	3.8
153.12796	1.3
155.08556	3.3
157.10117	13.4
159.08028	2.4
159.11646	8.2
161.09593	4.0
161.13243	3.5
163.11172	12.8
165.09122	4.7
165.12726	5.7
169.10141	3.7
171.10214	1.6
171.11687	5.3
173.09622	2.8
173.11839	1.3
173.13271	3.5
175.11151	13.0
177.12708	3.5
181.10085	1.5
181.12321	2.5
183.11693	2.6
185.09550	1.9
185.13263	2.2
185.36441	1.3
187.03848	1.4
187.11263	2.0
187.14816	1.3
189.11185	12.8
189.12637	1.8
191.06924	1.5
191.10750	1.5
191.14217	1.1
193.12193	28.1
195.11624	2.0
195.13927	1.7
199.11198	1.4
201.12724	1.3
205.12241	3.4
209.11696	2.7
211.13252	36.2
213.12802	1.4
219.13725	7.4
223.13243	22.2
227.12733	18.3
227.18004	1.9
243.15984	1.3
245.13808	2.1
245.18987	2.5
249.14888	3.7
255.17403	2.7
257.18991	2.7
263.16345	1.6
263.20367	1.2
267.15878	33.6
273.18427	30.0
275.20010	19.5
283.15399	11.2
285.16965	4.5
287.20010	1.5
291.19492	100.0
293.21048	1.9
295.20715	1.2
297.18658	1.5
313.21564	5.6
315.19617	1.9
329.21072	1.2
331.22922	2.0
333.20511	2.1
347.22128	4.4
349.23822	7.3
365.23117	12.4
437.25296	2.2
445.26248	1.9
447.28726	2.0
459.95743	1.5
465.29895	3.6
477.28403	5.8
483.30707	4.2
539.33563	8.5
549.75415	1.3
557.34656	54.6
558.35095	2.8
575.35718	99.0
575.50519	4.3
576.36182	5.0
584.05267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3416
Annotation	13beta-Hydroxymilbemycin D
Peak:m/z	Relative Intensity
53.03937	2.9
55.01863	10.2
55.05502	26.3
55.05750	0.9
57.03431	4.0
57.07027	1.9
57.26268	0.5
59.04981	2.4
65.03903	1.5
67.05495	29.6
69.03423	9.0
69.07059	23.9
70.14714	3.1
71.01311	0.8
71.04982	3.9
71.08598	0.9
77.03864	0.8
79.05482	33.2
81.03404	10.9
81.07043	27.7
83.01329	6.4
83.04506	0.8
83.04967	11.5
83.08609	12.1
85.02853	2.2
85.06496	1.1
85.10144	0.6
91.05466	23.5
93.03386	0.7
93.07031	30.0
94.07349	0.6
95.04383	0.7
95.04954	11.3
95.08593	15.0
97.02319	0.8
97.02881	11.3
97.05948	0.5
97.06513	6.5
97.10158	10.6
99.04417	0.9
103.05460	1.0
104.86700	0.5
105.03308	0.6
105.04490	0.5
105.06326	1.1
105.07012	16.6
107.04938	11.6
107.08577	20.2
108.08945	0.6
109.02841	0.8
109.06503	6.5
109.10131	8.1
111.04413	2.5
111.08052	3.0
113.05995	0.5
115.05375	1.2
116.06190	0.8
117.07001	11.3
119.04879	1.4
119.08563	14.5
121.05797	0.5
121.06493	4.9
121.10127	8.7
123.04403	1.3
123.08054	8.6
123.11649	1.4
125.05946	1.2
125.09603	7.5
128.06197	1.0
129.06990	3.5
130.07729	2.1
131.04878	1.3
131.08545	8.4
133.06485	2.4
133.10126	5.7
135.08035	3.9
135.11670	8.6
137.09573	2.8
139.07455	0.6
140.16512	0.5
141.06927	1.0
142.07744	0.5
143.08530	3.9
145.06445	2.2
145.10100	13.0
147.08026	5.9
147.11656	3.3
149.09633	2.4
149.13208	2.2
151.07507	0.5
151.11127	0.9
153.09123	0.7
153.12772	2.8
155.08484	1.0
157.10118	3.2
159.07979	1.3
159.11661	3.2
161.09618	2.4
161.13159	0.5
162.10333	0.6
163.11159	14.5
164.11487	0.7
165.09048	1.6
169.10043	1.2
169.12183	0.7
171.08040	0.5
171.10269	0.9
171.11598	1.1
173.05873	0.7
173.09641	2.4
173.13086	0.6
175.11113	2.4
177.12708	2.0
179.10648	0.7
181.12190	2.6
183.11659	0.7
183.58730	0.5
185.09627	0.7
185.13211	0.6
187.11218	0.5
189.11186	4.1
189.12653	0.7
191.10608	1.7
195.11652	0.7
195.13724	1.5
203.10680	0.7
205.12177	1.6
209.11664	3.3
209.49989	0.5
213.14790	0.7
215.14221	0.5
217.12143	0.9
223.13252	16.7
224.13559	0.8
227.12752	5.6
227.17892	1.2
233.15375	0.6
245.18886	1.8
249.14807	1.7
255.17552	1.0
259.70370	0.5
263.20032	1.4
265.14319	1.2
270.05130	0.5
273.18457	15.3
273.21439	0.8
274.18784	0.9
283.15378	2.9
291.19501	100.0
292.19843	4.6
295.95978	0.6
309.20520	1.1
311.19974	0.6
329.20972	1.0
347.22198	2.7
365.23105	2.2
366.02844	0.5
541.35706	0.6
545.34686	1.4
546.35809	0.7
555.32788	3.8
573.34143	88.8
573.48749	3.0
574.34436	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	573.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	2.3
57.07064	5.6
67.05487	6.8
68.86282	0.8
69.07051	3.5
69.70005	5.0
69.70434	2.5
71.08618	4.2
79.05473	3.9
81.07042	8.1
83.08604	1.8
85.10152	1.4
87.04440	4.0
88.52985	0.9
91.05469	3.1
93.07029	4.7
95.04965	1.8
95.08598	8.0
96.04469	2.1
105.07014	2.6
107.08587	2.6
109.06441	0.8
109.10164	1.8
109.22462	0.9
113.11532	0.8
119.08578	2.2
121.10126	2.1
123.11734	1.0
133.10146	1.7
149.13235	0.8
221.15411	2.9
234.09055	1.4
237.07909	1.1
248.07022	2.6
249.05428	2.2
261.07971	1.5
261.22025	0.9
262.08588	7.8
263.09344	1.9
272.07068	0.9
273.08044	1.2
274.08597	3.4
275.09317	1.8
277.07349	2.0
278.11908	1.0
280.09546	1.7
290.08087	24.6
291.08838	29.5
292.09515	2.3
301.07309	1.6
302.08176	3.2
303.08768	1.9
306.11200	63.9
307.11346	2.0
308.08994	1.2
314.08145	1.1
315.08484	1.0
316.09711	1.4
317.09183	2.4
318.11288	3.3
330.11224	1.4
333.12637	1.1
335.25949	2.4
358.10730	1.6
376.11713	2.3
385.11639	1.2
401.14944	9.5
403.12683	2.6
404.13632	1.1
419.15958	100.0
420.16235	2.9
460.24719	5.6
470.23584	1.2
555.40247	3.2
558.43744	1.1
573.29510	45.9
573.48700	12.5
574.29584	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01860	1.7
55.05489	1.1
57.03425	1.7
61.02905	2.7
69.03417	15.1
69.07053	2.6
70.06574	2.6
71.04970	4.4
71.80017	0.7
73.02905	4.3
79.05473	1.9
81.03403	15.8
81.07043	2.0
83.04963	2.0
85.02891	61.8
85.06538	1.6
87.04443	1.5
91.03931	0.9
91.05452	1.7
93.07019	2.6
95.04950	1.8
95.08567	1.6
97.02878	26.2
97.06506	3.3
99.04440	36.9
103.03924	72.3
105.07010	1.7
107.04958	1.2
107.08586	1.4
109.02863	25.7
109.06465	1.1
111.04429	1.3
111.08053	1.4
113.06023	1.0
115.03911	2.2
117.06995	1.1
119.04921	0.8
119.08572	1.7
121.02844	1.1
121.06522	0.9
121.10135	1.0
123.04404	1.2
123.08035	1.5
125.09656	1.0
127.03895	100.0
128.04260	0.9
129.05490	1.0
131.08556	2.3
133.06329	0.7
135.08038	2.2
137.06036	1.2
137.09572	1.3
145.04935	47.5
147.04430	0.8
147.08052	2.7
149.09586	2.9
149.13075	0.7
151.07602	1.0
153.09102	4.3
159.08044	1.7
161.06012	0.9
163.05995	54.0
165.09082	2.9
169.04953	1.9
177.05492	0.6
177.09081	9.3
180.08708	0.7
180.54144	0.7
182.61119	0.8
183.10188	0.8
187.06009	11.1
195.10143	10.6
205.06993	5.4
211.06010	1.1
213.11185	3.1
214.35941	0.8
229.07056	1.1
231.12221	1.3
237.11284	1.1
242.06276	0.8
247.08110	3.3
253.07021	4.1
255.12225	9.9
271.08090	15.6
289.09100	13.7
307.10187	34.9
339.14206	1.4
349.11194	0.9
357.15451	2.7
375.16534	2.5
397.11237	1.7
415.12421	4.9
433.13345	5.2
451.14423	2.7
528.96344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01854	1.3
56.05026	1.6
57.03418	1.4
58.22696	0.5
58.52837	0.5
59.56318	0.4
61.02907	0.7
67.05474	0.5
69.03413	6.1
71.81480	0.8
72.08164	0.6
76.53760	0.5
79.05475	1.0
81.03394	1.0
83.04952	0.7
84.04475	0.8
84.08118	1.5
85.02890	8.8
86.06062	0.8
86.09688	1.4
87.04439	3.1
91.05506	0.8
93.07043	0.6
95.04951	1.4
97.02876	5.6
103.03899	0.5
104.05305	2.5
105.03374	1.7
107.04933	100.0
108.05262	1.8
109.02850	1.2
115.03884	5.2
120.08101	1.7
121.02862	2.0
121.06483	1.2
123.04401	0.6
123.07991	0.8
127.03863	3.1
128.04449	0.6
128.33199	0.5
129.10187	1.3
131.04903	1.3
133.04948	4.7
137.02342	0.7
137.05977	0.8
138.24413	0.6
139.03838	2.8
145.04945	1.1
145.06413	1.4
147.04337	1.3
149.05960	4.2
149.07327	1.0
151.03864	5.2
161.06018	0.6
163.03867	1.5
169.04921	5.2
173.05949	1.5
175.03876	1.0
175.07518	1.3
177.05527	1.0
181.04956	2.7
187.03844	1.7
193.04932	4.1
201.05411	0.7
202.29402	0.6
203.07037	0.8
205.04948	2.5
206.08861	0.6
211.06004	2.9
215.07007	0.6
217.04918	1.7
219.06667	0.6
223.05914	1.2
229.04913	1.3
235.05975	2.5
247.05952	3.6
259.06009	2.4
260.10764	1.0
271.05902	0.7
275.09103	14.9
275.12119	0.8
277.07047	0.9
285.07471	0.8
287.09018	1.4
289.07135	1.1
299.05804	0.9
299.08926	4.3
301.07129	0.9
313.07144	0.8
317.10138	9.3
318.50583	0.6
321.22198	1.2
329.10336	0.6
341.10092	4.8
353.10135	4.6
365.10165	2.0
371.11102	3.0
383.11417	3.5
395.11142	3.4
401.12149	3.5
407.12256	1.3
413.12015	1.6
419.12512	1.7
425.61603	0.6
431.13214	1.5
437.12607	1.6
447.73676	0.6
449.12360	1.8
455.13272	0.9
461.12997	0.6
467.12888	1.1
467.19315	0.6
479.13351	1.2
485.14728	0.7
497.14526	1.3
512.34631	0.7
515.14941	0.9
569.19873	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.05492	9.1
57.07074	16.8
61.48703	2.9
65.03942	3.1
67.05492	21.5
69.07041	14.7
70.06582	8.4
71.08617	8.4
71.48660	3.8
71.48988	4.0
79.05475	21.3
80.06303	3.6
81.07038	36.1
83.04951	4.0
83.08602	7.0
88.07618	13.0
90.91227	3.0
91.05465	33.2
93.07037	49.4
95.04948	36.1
95.08583	30.2
102.09153	11.4
103.05427	4.3
105.07014	87.7
106.07848	5.8
107.08572	43.3
109.06476	6.5
109.10135	22.2
115.05412	5.1
117.07000	24.0
118.07786	4.0
119.08564	100.0
120.09335	11.4
121.06476	4.0
121.10126	27.9
123.08135	15.3
123.11696	7.1
128.06206	6.3
129.06989	14.6
130.07764	8.0
131.08531	46.9
132.09323	8.6
133.10107	63.6
134.10866	7.0
135.08060	5.8
135.11665	18.4
137.09579	6.2
138.10355	8.5
141.06879	3.5
142.07732	11.7
143.08546	45.9
144.09323	12.9
145.10106	86.7
146.10851	4.8
147.11676	21.4
149.09604	7.5
149.13237	3.8
155.08473	15.4
156.09320	14.0
157.10101	51.4
158.10944	11.2
159.11687	41.9
161.09569	4.7
161.13249	13.9
163.11151	4.3
167.08546	10.2
168.09334	6.5
169.10147	24.7
170.10857	9.0
171.11664	35.6
172.12404	5.1
173.13226	28.6
175.11200	3.5
175.14792	23.9
177.12743	3.6
179.08585	9.2
180.09187	3.5
181.10071	20.5
182.10902	5.5
183.11621	22.4
184.12506	5.6
185.13249	27.9
186.14081	4.0
187.14745	14.9
191.14323	9.5
193.10106	8.3
194.10910	5.9
195.11566	19.1
196.12456	9.1
197.13263	32.0
198.14037	5.5
199.14816	8.5
201.12674	6.8
201.16339	8.5
207.11659	10.4
208.12474	5.7
209.13202	23.6
210.14021	5.0
211.14719	19.1
213.16319	5.0
217.15817	4.4
220.12535	4.2
221.13228	7.4
222.14014	3.8
223.14790	12.4
224.15643	3.8
225.16306	10.5
235.14778	10.1
237.16222	7.0
239.17979	6.2
249.16383	3.8
251.17825	4.4
263.17978	4.5
265.19434	5.8
272.21072	3.7
275.17999	4.4
277.19485	5.5
282.20587	3.0
283.20499	4.3
283.26352	9.2
284.29413	27.4
297.40240	3.4
311.26212	3.9
311.29355	22.9
312.32550	11.3
323.23788	8.9
338.26004	55.3
362.25806	3.6
364.35385	3.1
430.32117	16.9
458.35052	3.5
476.36514	28.7
550.41449	4.0
568.42847	62.5
568.56525	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.5
53.03930	3.0
55.05505	10.8
57.07066	8.8
59.04978	1.5
65.03918	3.1
67.05495	17.6
67.33244	1.0
69.03410	2.0
69.07049	13.2
70.03589	2.4
70.04008	4.9
71.08616	1.1
79.05485	21.5
80.06264	3.1
81.07043	33.7
83.04958	3.2
83.08597	5.0
85.06529	3.9
85.10155	1.3
88.07602	3.2
91.05462	43.9
92.06241	2.1
93.07030	53.7
94.07825	1.8
95.04948	42.5
95.08597	25.3
97.06525	2.2
102.09165	1.4
103.05458	3.2
105.07012	82.8
106.07801	4.4
107.08577	41.7
109.06525	4.4
109.10146	19.7
115.04723	1.0
115.05396	6.5
116.06197	1.8
117.07007	24.8
118.07805	1.1
119.08562	100.0
120.09382	7.2
121.06492	2.2
121.10124	30.7
122.10906	1.1
123.08047	15.6
123.11691	6.3
125.09631	2.2
128.06204	11.5
129.06973	19.5
130.07782	10.5
131.08545	50.2
132.09351	8.8
133.06458	2.1
133.10107	53.2
134.10959	5.2
135.08029	4.8
135.11668	18.5
137.09612	5.7
138.10358	7.1
139.11165	2.4
141.06949	7.9
142.07761	15.6
143.08536	44.7
144.09315	15.9
145.10100	87.8
146.10828	4.3
147.08031	2.4
147.11676	24.2
149.09645	3.9
149.13242	3.2
151.11166	3.9
153.06998	2.9
154.07751	4.5
155.08530	16.9
156.09323	17.3
157.10107	47.7
158.10904	12.4
159.08087	2.5
159.11668	35.4
160.12437	4.2
161.09605	6.5
161.13252	8.1
163.11176	2.4
165.07062	5.3
166.07727	3.5
167.08553	8.0
168.09396	7.0
169.10100	23.9
169.11447	1.8
170.10907	10.2
171.11658	35.9
172.12442	7.5
173.13237	28.9
175.11229	1.3
175.14786	20.2
177.12697	4.7
179.08513	8.7
180.09270	5.4
181.10095	17.2
182.10902	7.3
183.11656	28.2
184.12476	5.7
185.09679	1.3
185.13219	23.4
185.14723	1.8
186.14018	6.7
187.11159	2.1
187.14793	12.7
189.12706	3.1
189.16394	2.5
191.14259	8.3
192.09332	2.7
192.15117	2.9
193.10080	8.6
193.15872	2.4
194.10835	7.1
195.11649	18.5
196.12491	8.7
197.13231	27.0
198.14026	3.0
199.11134	1.1
199.14795	14.9
200.15549	2.2
201.12726	3.4
201.16360	6.5
203.14276	3.0
205.10081	2.6
206.10863	2.7
207.11638	10.3
208.12456	5.1
209.13222	24.6
210.14096	3.5
211.14799	16.9
212.15488	2.1
213.16386	4.9
215.14282	2.6
217.15808	5.9
219.11620	2.5
219.17496	3.2
220.12404	3.7
221.13194	9.0
222.14012	3.6
223.14810	9.7
224.15625	3.9
225.16266	7.2
226.17137	2.5
227.14420	2.0
227.17935	3.4
229.15935	1.8
231.11635	2.2
231.17375	1.5
232.12595	1.8
233.13272	4.7
234.14024	1.4
235.14836	7.1
236.15579	1.6
237.16409	10.1
238.17137	2.5
239.17815	6.7
241.16026	1.3
241.19557	1.9
243.17397	1.3
245.13364	1.5
245.18962	1.8
246.14014	1.9
247.14845	2.4
249.16486	4.5
251.17870	3.0
252.18628	1.9
257.18906	2.1
259.14700	1.4
259.20639	3.9
261.16412	3.4
263.17923	3.3
265.19537	3.8
269.19125	1.8
270.19589	1.6
271.20474	1.7
272.21451	1.6
273.16431	2.2
275.17941	2.7
277.19534	3.1
279.21085	2.0
283.20609	3.5
284.21295	1.3
284.29483	2.8
285.22122	3.1
289.19562	1.7
291.21024	1.9
297.22104	2.6
311.29547	2.6
312.32697	1.9
323.23822	6.5
337.25360	2.1
338.25983	49.7
349.25357	2.8
351.26907	2.3
362.26431	1.7
415.29831	2.2
420.30051	2.4
430.32269	12.4
476.36441	24.2
493.63339	1.3
568.42725	39.2
568.56262	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	568.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.8
55.05509	9.1
57.01876	1.7
57.03414	5.6
57.07058	2.4
61.02917	4.0
61.41149	1.6
62.33690	1.7
67.05479	7.6
69.03410	11.3
69.07047	7.1
70.05801	10.0
70.06583	2.6
71.04979	3.9
73.02900	2.0
79.05463	8.3
81.03389	5.8
81.07043	22.3
83.04968	15.1
83.08597	7.2
85.02898	27.3
85.06514	3.8
85.31789	1.6
87.04448	3.1
91.03935	2.2
91.05454	8.5
93.07029	18.0
95.04958	33.0
95.08577	11.8
97.02874	14.8
97.06511	14.0
98.21317	3.2
99.04434	10.7
99.08064	2.5
99.55798	1.8
100.07586	5.4
105.07020	23.0
107.08582	27.3
109.02866	5.3
109.06503	30.8
109.10143	35.4
111.08030	4.7
115.07536	9.3
117.06927	2.1
119.08554	20.0
121.06422	3.1
121.10136	24.7
123.08060	5.0
123.11691	7.6
125.09611	6.9
127.03895	10.0
131.08560	17.3
133.10112	50.8
133.11128	3.4
135.07988	5.6
135.11667	18.2
139.11151	7.5
144.09273	2.7
145.04926	10.0
145.10115	12.2
147.11647	16.8
149.13251	16.8
151.11198	8.2
153.09091	16.8
158.10872	5.1
163.03893	2.7
163.06015	3.4
163.11154	2.1
163.14778	8.0
165.12752	5.8
167.14285	10.4
171.10176	2.1
173.13231	59.3
174.13547	2.4
175.14801	17.2
191.14276	57.9
192.14664	2.3
193.15889	2.4
209.15341	100.0
227.16385	56.9
251.80815	1.9
260.19824	1.9
371.20255	2.0
470.12003	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.4
55.01851	1.6
55.05498	11.8
57.03432	2.9
57.07080	1.6
61.02918	2.9
65.03911	1.3
67.05486	4.7
69.03414	8.9
69.07049	4.9
70.06587	9.0
70.28699	1.9
70.29111	4.8
71.04987	3.3
79.05479	4.0
81.03400	4.2
81.07047	11.7
83.04965	15.4
83.08613	10.3
85.02893	37.3
85.06521	2.9
87.04471	1.6
91.03955	2.5
91.05447	5.6
93.07040	7.3
95.04946	8.0
95.08565	7.1
96.24187	1.1
97.02869	10.4
97.06525	9.0
97.10116	1.2
99.04437	4.5
99.08064	1.9
105.07010	8.5
106.02854	1.7
107.08578	12.2
109.02849	5.6
109.06506	15.5
109.10144	18.2
111.08050	3.0
113.09602	1.5
115.07554	3.0
119.08561	7.2
121.10133	13.0
123.08064	2.5
123.11678	6.3
124.03921	2.1
125.09602	5.6
127.03881	10.7
131.08582	7.5
133.10110	27.1
135.08054	6.9
135.11671	1.9
136.07547	1.3
139.11143	1.7
141.10199	1.4
143.08569	1.6
144.09341	1.2
145.04926	17.3
145.10118	3.0
147.11671	9.2
149.09625	1.1
149.13223	6.7
151.11165	16.4
153.09074	5.5
153.82167	1.2
157.07620	2.2
157.09726	1.5
158.10887	3.7
163.03926	1.3
163.05962	7.7
163.14819	4.9
165.12706	2.3
167.14296	16.3
172.74051	1.2
173.13231	20.0
175.08629	2.7
175.14769	6.8
178.05104	1.5
183.90887	1.2
185.07068	1.5
191.14294	18.8
199.99065	1.2
206.04454	1.5
209.15341	100.0
227.16393	16.0
319.39481	1.4
366.14435	2.9
371.20535	1.5
406.14844	2.0
415.83908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01864	2.3
55.05498	8.9
55.31613	1.3
55.93295	1.0
57.03427	3.5
57.07054	2.1
61.02902	4.5
65.47044	1.1
67.05477	5.9
69.03413	12.0
69.07049	5.7
70.06567	5.3
70.85653	2.8
70.86022	2.4
71.04976	2.4
73.02930	2.3
79.05470	5.7
81.03411	6.0
81.07040	13.8
83.04959	15.1
83.08605	8.8
85.02889	50.8
85.06534	4.1
87.04443	2.4
91.03937	2.4
91.05469	4.2
93.07030	8.4
95.04955	11.6
95.08572	7.0
97.02882	13.9
97.06510	7.5
97.10153	2.1
99.04437	5.8
105.06998	7.6
107.08569	16.4
109.02837	6.0
109.06492	17.0
109.10131	23.9
110.10447	1.3
111.08090	3.2
113.09624	1.5
115.07574	4.1
117.07084	1.3
117.99414	1.2
119.08565	6.3
121.10128	20.7
123.08039	3.7
123.11694	7.6
125.09619	3.5
127.03890	15.7
131.08545	10.5
133.10106	28.0
135.08005	6.5
135.11708	2.8
137.13275	2.3
139.11179	3.1
145.04927	18.6
145.10132	4.2
147.11681	8.1
149.13242	9.9
151.11168	10.9
153.09088	9.4
158.10889	1.8
163.06017	6.4
163.14738	6.8
165.12785	3.9
167.10687	1.8
167.14308	14.9
173.13228	20.4
175.08611	2.0
175.14819	6.5
191.14278	24.1
209.15338	100.0
227.16370	20.3
308.80124	1.2
319.91324	1.4
343.65695	1.4
366.14398	2.1
371.20453	1.8
454.88892	1.3
558.25128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.3
57.07048	1.0
67.05482	1.5
69.03407	0.6
69.07062	1.9
71.08604	0.7
71.81228	0.5
79.05475	0.5
81.03380	0.6
81.07043	1.0
83.04960	0.7
85.02894	0.3
85.10155	0.3
86.09667	0.3
90.72091	0.3
91.05482	0.5
93.07015	0.6
95.04952	0.9
95.08572	0.7
103.05428	0.4
105.03371	0.7
107.04908	0.8
109.10152	0.7
111.04413	1.1
119.08508	0.3
121.02863	0.4
121.06483	0.4
129.05438	1.1
131.04886	1.1
133.06512	0.6
137.05949	0.6
139.03912	0.5
141.06993	0.7
145.06465	0.9
147.04349	0.7
147.06494	0.6
148.03636	0.3
149.05881	0.5
157.06454	0.6
159.04384	2.4
159.08070	0.4
161.05956	0.8
171.04366	0.9
172.05182	0.4
173.05960	2.9
175.03874	0.8
175.07547	0.7
177.05484	0.5
179.08412	0.3
181.06479	0.3
183.04372	0.8
183.08009	0.5
184.05257	0.4
185.05901	1.3
187.03871	5.1
187.07529	0.5
189.05412	0.9
193.07048	1.1
197.05992	1.4
198.06586	0.3
199.03899	1.9
199.07506	0.5
200.04665	3.5
201.05392	4.2
203.07071	0.4
211.07428	1.0
211.09348	0.3
213.05400	4.0
215.03448	0.9
215.07050	0.4
215.10565	0.3
217.04810	0.4
221.05960	0.7
225.05498	1.3
225.09053	0.4
226.06000	0.3
227.07051	0.5
229.04936	1.0
239.07005	2.9
252.40410	0.3
253.08527	0.8
269.62976	0.3
289.17920	1.0
297.18436	2.0
311.16266	0.5
313.17917	6.8
315.19449	3.6
317.17416	0.8
329.76071	0.3
331.19028	2.2
341.17419	100.0
342.17825	2.9
343.19119	0.5
357.16794	0.8
359.18466	12.1
364.99377	0.3
373.65030	0.4
447.63116	0.4
491.23138	0.4
515.22620	0.6
529.70251	0.4
533.23596	1.1
568.30756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	11.1
57.33615	1.0
57.71135	0.9
64.61969	1.0
67.05474	4.1
69.07055	2.3
71.08622	13.5
71.78792	1.1
79.73360	1.1
81.07045	8.4
83.08585	1.1
85.10175	5.0
93.07040	1.2
95.04942	1.5
95.08598	10.2
103.05453	1.7
105.00076	0.9
107.04945	3.8
109.73777	1.1
111.84829	1.0
121.06474	1.1
131.04893	11.2
135.04356	1.7
137.13220	2.6
142.88911	1.0
143.04924	2.1
149.05968	6.9
155.14296	14.8
159.04381	8.6
161.05960	3.2
163.03900	5.8
169.06447	1.5
173.05965	1.6
175.03787	1.2
177.05440	39.1
187.03792	19.7
189.05432	20.9
197.05984	2.3
205.04933	100.0
206.05240	2.2
288.26907	1.0
289.18143	1.5
313.17981	4.9
331.19073	5.7
341.17361	3.3
359.18542	1.1
568.32019	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.5
57.07053	2.1
65.03924	1.1
65.65151	0.4
67.05494	3.9
69.03400	1.6
69.07066	2.9
69.57343	3.5
69.57769	1.2
71.08602	1.7
72.71049	0.4
75.40652	0.5
76.34481	0.4
79.05486	1.0
81.07050	2.8
83.04951	3.4
83.08598	0.5
84.08111	0.6
85.02879	0.7
85.10151	0.7
86.09686	0.5
91.03912	0.4
91.05427	0.6
93.03368	1.6
93.07018	1.3
95.04961	4.6
95.08570	1.5
98.21449	1.1
103.05473	0.8
105.03367	1.5
105.07043	1.1
105.55591	0.5
107.04934	1.8
107.08573	1.0
109.10143	0.7
111.04430	5.0
117.06979	0.8
119.08536	0.6
120.08017	0.5
121.02835	0.9
121.06483	1.2
123.11718	0.7
128.28680	0.5
129.05463	3.6
129.06938	0.7
131.04924	2.5
133.06493	2.8
135.04399	0.9
135.07953	0.6
137.05965	0.8
139.03851	2.1
141.06908	0.8
145.06468	1.9
147.04379	1.4
147.06511	1.0
149.05945	2.4
155.04921	0.6
157.04951	1.6
157.06480	1.3
159.04416	2.0
159.08049	0.6
159.98648	0.5
161.05959	2.2
163.03925	0.8
165.06966	1.1
169.06412	0.9
171.04375	1.9
171.06451	1.0
173.05983	4.1
175.03883	0.6
175.07547	1.4
177.05493	1.1
184.05138	1.2
185.05954	3.5
187.03842	5.8
187.07523	1.4
189.05396	2.0
193.07016	1.7
197.05969	3.7
199.03889	5.1
200.04620	4.0
201.05423	5.1
203.06987	2.0
205.05055	0.7
211.07433	0.6
213.05435	5.2
215.03391	1.0
215.07008	0.8
217.04930	6.7
217.07040	5.0
221.06010	0.6
225.05441	5.1
225.09082	0.5
227.06946	0.7
229.04941	0.9
239.06955	3.3
252.05614	0.6
253.08627	0.9
285.18323	0.6
289.18015	5.4
297.18472	7.9
311.16623	0.6
313.17899	9.8
315.19501	18.2
317.17419	4.8
331.19092	4.2
341.17432	100.0
342.17581	2.4
343.19070	4.8
359.18488	22.1
359.23019	1.1
377.19556	1.2
392.31061	0.7
491.22775	0.8
511.24030	0.5
515.22656	9.0
533.23761	7.1
534.25165	0.6
568.22437	0.5
568.31049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74359	1.5
55.01862	3.4
70.06561	3.4
70.33382	2.5
70.33788	5.3
72.38539	1.5
74.00648	4.8
76.04008	8.5
78.70139	1.8
80.05001	2.0
83.06085	4.3
84.04504	12.6
84.77825	1.6
85.04014	27.2
91.34629	1.8
92.01708	9.2
96.04465	3.1
98.21513	1.4
107.99394	2.3
108.04459	8.9
112.02165	7.2
112.03954	6.8
113.03470	8.0
114.03734	2.1
116.01671	2.0
120.08078	20.4
129.06572	2.9
130.04095	3.1
130.04991	34.5
131.02789	1.7
131.04503	21.7
131.99365	8.6
134.15224	1.8
135.04343	2.0
136.03915	18.6
139.03233	2.8
140.01628	27.4
142.03206	22.2
149.03780	3.0
155.08142	2.1
159.02206	5.3
160.00610	5.5
162.02206	1.7
163.03860	11.7
164.04332	1.7
166.08615	8.0
168.01099	5.5
169.04330	2.8
170.02655	10.1
177.03271	100.0
181.06055	5.3
185.03780	24.9
193.06078	2.7
197.03716	3.7
211.02095	2.3
211.07115	6.6
215.04880	6.9
231.04326	48.5
235.01961	10.1
243.04340	15.3
245.05904	12.1
271.02051	6.7
288.06512	6.6
306.07541	12.6
318.05896	2.0
346.05087	5.3
395.08090	3.0
399.20059	1.8
416.20850	1.7
421.08398	56.4
475.09521	13.0
517.30133	1.8
550.12732	27.3
553.72675	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.05500	17.2
57.07055	7.8
61.06252	2.0
65.03906	4.5
67.05494	35.9
69.03403	4.2
69.07055	21.8
79.05473	27.5
81.03411	2.6
81.06586	4.0
81.07040	54.4
83.04974	2.7
83.08610	8.4
85.06506	4.7
85.10060	2.3
86.83611	2.0
91.05465	49.8
93.07026	70.2
95.04966	12.7
95.08589	52.2
97.06522	4.4
103.05447	5.6
105.07012	100.0
107.04863	2.3
107.08577	64.4
109.06506	6.4
109.10136	46.2
115.05419	4.7
117.06995	19.4
119.08561	96.0
120.08889	2.1
121.10126	65.1
123.08025	6.0
123.11683	17.0
128.06201	10.6
129.06958	16.6
130.07768	7.5
131.08540	50.6
133.10107	60.5
135.08054	7.1
135.11670	43.7
137.09596	6.3
139.11163	3.5
141.06975	8.6
142.07747	16.8
143.08556	35.2
144.09340	5.6
145.10094	68.9
145.11188	3.7
147.08015	2.7
147.11681	29.6
149.09567	3.4
149.13245	6.2
151.11163	2.8
153.06978	4.0
154.07771	2.5
155.08543	18.5
156.09277	12.2
157.10114	46.2
158.10799	4.4
159.08089	3.2
159.11668	33.1
161.09598	4.8
161.13251	18.5
163.11125	3.3
163.14709	3.0
165.07018	4.6
167.08565	10.5
168.09317	3.4
169.10095	24.0
170.10864	7.3
171.11670	32.5
173.09608	3.2
173.13234	24.7
175.11151	3.5
175.14806	23.5
179.08571	12.5
180.09309	5.1
181.10100	17.1
182.10870	7.2
183.11673	26.4
184.12225	2.6
185.13210	14.3
187.14824	21.2
189.16367	4.0
191.08560	3.1
191.14258	5.5
192.09308	3.3
193.10078	10.9
194.10869	7.2
195.11618	24.0
196.12430	6.6
197.13239	23.9
199.14737	10.6
201.16357	9.5
203.14325	4.6
205.10095	3.1
205.15674	3.3
206.10838	6.4
207.11632	14.5
208.12183	4.6
209.13193	21.2
210.14035	4.2
211.14752	13.2
213.16307	7.1
215.17839	2.5
217.15962	4.1
218.10822	3.8
219.11664	6.3
220.12573	4.0
221.13327	10.4
223.14848	10.5
224.15622	2.9
225.16367	7.9
227.17923	4.1
231.11661	5.3
233.13185	7.1
234.14041	2.8
235.14789	8.6
237.16333	5.6
239.17853	4.0
241.15910	2.4
243.11487	2.9
245.13220	3.9
246.13870	3.2
247.14810	7.3
248.15540	2.7
249.16373	6.5
251.17929	4.6
253.19591	4.1
259.14777	6.6
261.16315	5.4
263.18008	3.6
265.19516	4.8
267.21127	6.4
269.19156	2.5
271.14725	3.2
273.16434	3.9
275.17883	4.6
277.19409	4.9
283.20587	4.2
289.19440	5.8
291.20822	3.4
300.89209	2.2
307.20328	3.0
331.24063	2.6
334.75299	2.6
335.23773	2.8
345.25623	3.5
349.24969	2.3
361.25183	2.9
415.29990	2.3
427.29950	4.3
429.31525	4.3
493.35025	2.7
511.35483	3.4
549.40643	15.6
567.41687	42.1
568.42169	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	567.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	6.7
55.05493	21.0
57.07066	25.6
60.14120	4.8
60.39305	3.9
67.05490	49.5
69.07049	33.5
69.79066	23.5
69.79498	13.3
71.08607	20.4
73.06516	3.8
78.57082	4.4
79.05480	43.6
81.06592	6.0
81.07038	69.4
83.08588	10.2
85.06532	7.2
85.10146	7.6
87.48376	3.9
91.05461	58.6
93.07025	85.8
95.04932	16.5
95.08591	78.2
97.10155	6.8
105.07013	79.6
107.04946	6.5
107.08574	81.4
109.06499	12.5
109.10150	47.6
117.06985	21.2
119.08569	98.7
121.10114	69.1
123.08083	5.3
123.11665	26.8
128.06233	5.8
129.06943	11.4
130.07793	5.7
131.08527	36.6
133.06392	4.2
133.10100	73.4
135.08022	5.6
135.10735	7.2
135.11667	90.6
137.09567	7.2
137.13223	5.7
141.06964	4.5
142.07713	10.4
143.08531	18.3
145.10091	61.5
147.11658	32.8
149.09694	7.9
149.13208	10.6
155.08528	13.9
155.14282	7.4
156.09283	10.3
157.10121	45.8
159.08076	4.9
159.11682	40.9
161.09520	5.4
161.13229	8.8
163.11072	5.2
169.10098	19.2
169.30933	4.5
171.11632	31.0
173.13142	25.0
175.14781	45.3
181.10120	10.5
182.10727	5.9
183.11670	19.9
185.13243	16.9
187.14870	25.7
189.16386	13.4
192.09286	4.6
193.10010	6.3
194.10782	8.3
195.11700	15.7
197.13188	22.6
199.14789	7.5
201.16312	11.1
206.10861	6.1
207.11658	15.7
209.13174	16.0
211.14758	17.3
213.16330	8.6
215.14287	5.9
219.11826	6.3
220.12410	5.5
221.13173	18.6
222.13995	5.5
223.14754	16.3
225.16373	6.4
227.14137	5.9
233.13242	6.2
233.15338	19.7
235.14864	6.8
237.16382	8.5
239.18015	6.6
241.19337	6.1
253.19458	5.6
259.14651	8.4
263.17868	6.3
265.19287	6.9
277.19360	5.2
363.26929	5.7
373.23557	56.2
445.30679	5.8
539.42365	7.7
549.40845	26.5
567.41431	100.0
579.92603	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	567.2217
Annotation	Pterocellin E
Peak:m/z	Relative Intensity
50.69324	0.4
53.03938	0.6
55.05501	1.1
59.31550	0.4
65.86086	0.5
67.05484	2.3
69.07062	0.5
71.05128	1.3
78.04746	0.6
79.05472	1.8
81.03410	1.5
81.07053	1.4
85.02886	0.4
89.03902	8.9
91.05470	3.1
93.07024	1.3
95.04958	1.2
95.08591	1.2
95.93286	0.4
97.06534	0.5
100.41489	0.5
103.05449	1.0
105.03384	2.1
105.06990	0.6
106.04206	0.5
107.04939	1.0
109.10151	1.7
116.06218	0.4
117.03363	25.8
117.07007	0.6
119.04914	0.5
121.02876	0.6
121.06487	0.7
124.05222	0.8
128.06201	0.9
129.06989	2.8
131.04883	1.1
131.08539	3.7
134.03619	2.7
135.04416	2.4
137.05937	2.5
141.06963	2.5
145.02821	60.5
146.03224	1.0
147.04420	0.7
149.05943	9.7
150.06328	0.5
151.07501	1.9
157.06450	2.9
158.05988	0.9
158.07210	1.0
159.08054	3.5
160.05164	0.5
161.09540	0.6
163.03915	1.0
163.07530	1.6
167.06996	3.4
169.06413	1.5
170.07254	0.5
173.05908	0.7
173.11777	0.5
174.06731	6.5
175.07532	1.3
177.05443	100.0
178.05821	2.3
179.03278	0.6
181.08534	1.3
186.05371	3.2
186.06799	1.9
187.07539	1.6
189.09067	13.9
191.10680	1.0
193.08601	1.2
200.11678	0.4
201.09074	6.7
203.03371	1.0
219.10124	57.5
220.10434	1.4
249.11169	1.4
251.10513	0.9
265.08658	0.5
283.09491	0.6
283.15137	0.9
291.10223	1.1
323.12616	1.4
333.17056	0.6
339.29758	0.4
355.15305	3.7
371.14627	0.7
373.15848	0.6
414.16995	0.8
567.31329	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	567.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
57.07045	0.7
65.03921	0.9
67.05472	2.3
69.03408	0.6
69.71420	3.5
69.71837	1.3
70.45885	0.6
71.08628	1.0
79.05480	1.0
81.03394	2.2
81.07026	1.5
87.31964	0.5
91.05445	1.7
93.07009	0.8
95.04948	1.8
95.08593	0.7
105.03374	14.1
105.07001	0.6
109.10107	1.7
111.04434	0.9
118.06544	0.6
121.02841	15.3
121.03756	1.0
122.18208	0.5
148.07579	1.2
152.06221	0.9
160.07570	0.9
165.06966	2.3
166.07761	1.6
167.08554	3.3
174.02101	0.8
177.07083	0.7
178.07785	1.1
179.08479	1.4
181.10068	1.0
190.07828	0.8
191.08502	5.2
193.06497	0.9
194.07233	3.0
195.07970	3.3
201.03308	2.1
205.06470	2.3
206.07205	0.7
207.08044	4.4
208.08771	1.3
209.09605	2.3
217.06409	1.3
219.08031	3.7
219.09915	0.6
220.08818	0.6
221.05936	2.2
222.06728	8.1
223.07599	3.7
233.05925	1.7
235.07454	1.3
236.08315	1.7
237.09087	7.0
239.06966	2.1
241.08487	3.4
247.07475	1.8
250.06259	2.1
250.08604	0.8
251.06979	8.3
263.06915	0.8
265.08545	17.7
266.08618	1.2
267.06509	1.2
267.08966	1.1
268.07251	7.7
268.09720	1.0
281.09680	0.9
282.08643	7.3
282.11432	3.4
283.09592	29.3
284.10086	0.8
292.09683	0.8
293.10379	1.7
294.11255	1.7
296.09091	1.4
297.11145	13.1
298.11523	1.2
303.19287	0.6
307.09805	0.7
308.10486	4.5
309.10040	0.7
310.10638	2.5
312.12195	0.9
314.13763	2.7
322.12076	1.5
324.12231	3.6
325.13004	3.2
332.10641	0.8
335.10123	0.6
336.10077	4.6
337.10776	1.2
341.11539	1.0
350.11676	4.0
351.12390	2.5
353.11014	1.0
354.11203	34.4
355.11667	1.5
369.11075	1.6
371.19937	0.8
378.11172	0.6
379.07126	1.1
379.11960	18.8
380.12582	0.9
382.10684	26.2
383.11273	0.7
397.13037	18.6
398.13672	2.0
412.15341	48.2
413.13641	4.0
430.16425	100.0
431.16837	2.3
446.15979	0.7
567.32129	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	565.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.6
56.79609	0.4
57.07040	1.3
67.05475	1.0
69.66108	4.1
71.08617	0.9
74.41909	0.4
79.05507	0.7
81.07040	0.8
83.04976	0.4
91.05468	0.6
93.07036	0.6
95.04946	0.9
95.08601	1.1
98.20677	0.8
100.35787	0.5
105.03352	0.6
109.10097	0.7
111.04443	0.5
121.02837	0.9
121.06572	0.6
128.28262	0.4
145.06406	1.2
155.04922	0.5
157.98483	0.4
159.04381	0.9
161.05986	0.7
163.03883	7.4
173.05945	1.0
176.04654	11.8
177.05415	2.0
187.03838	1.6
191.03366	0.6
191.06966	1.5
203.03307	1.2
204.04140	24.5
205.04868	0.8
219.06482	100.0
220.06842	2.1
263.07034	0.5
310.10782	0.5
311.11398	0.4
341.17441	1.0
369.52881	0.5
373.19815	0.5
409.83627	0.6
428.14877	0.6
544.66040	0.5
547.25366	1.3
565.29767	0.7
565.39392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.01843	0.2
55.05497	1.6
57.07068	3.4
67.05492	3.4
69.07060	2.4
70.09983	0.7
70.10380	0.4
71.08621	2.8
79.05487	1.1
80.33923	0.2
81.03398	0.7
81.07044	3.0
83.04962	0.4
83.08595	0.6
85.10161	1.2
86.67478	0.2
91.05463	1.2
92.21059	0.2
93.07019	1.0
95.04953	2.1
95.08579	1.9
97.06527	0.3
98.21101	0.5
98.98460	0.3
105.07022	1.1
107.04945	0.5
107.08528	1.1
109.02882	2.4
109.06490	0.5
109.10126	1.7
109.91417	0.2
117.06952	0.2
119.08543	1.2
121.06497	0.4
121.10127	0.5
123.04415	1.6
123.51598	0.2
125.05975	0.3
130.06493	0.8
131.08542	0.4
133.10098	0.9
137.05937	0.4
143.08578	0.4
144.08032	0.3
145.10100	0.3
146.06018	0.3
147.11623	0.3
155.00983	0.2
155.14221	0.3
157.10175	0.3
159.11615	0.3
161.09540	0.2
168.08093	0.4
169.07634	0.3
188.06805	0.2
189.74966	0.2
207.17398	2.1
215.08067	0.6
235.16887	1.5
249.18460	1.6
261.18509	0.3
312.65939	0.3
361.30948	100.0
362.31308	3.7
395.23019	0.3
467.37268	2.1
483.23407	0.3
492.38644	0.5
547.38928	0.3
565.39935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70335	0.4
57.59212	0.4
70.38751	1.4
89.17651	0.4
91.05464	0.9
115.05444	0.9
117.05709	0.5
117.07019	1.0
118.06522	17.0
119.06876	0.6
130.06508	1.1
132.08075	4.8
142.06505	1.3
143.07278	1.9
144.08058	11.4
145.08360	0.4
146.05980	55.8
147.06316	1.6
159.09148	5.5
160.07610	1.0
163.03874	0.7
170.05975	3.1
188.07034	100.0
189.07356	2.2
202.69402	0.4
205.09691	45.0
206.10007	1.6
553.75214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	1.1
53.03897	2.2
55.01818	1.2
56.82355	0.5
57.07036	0.6
59.39529	0.4
62.26677	0.5
65.03933	4.8
67.05462	1.1
70.06543	0.8
71.08580	0.6
71.29192	1.2
77.03886	0.6
77.83408	0.5
81.03366	0.7
81.07014	1.0
89.74166	0.4
91.05424	1.7
93.06972	0.8
95.04949	5.4
95.08520	0.6
97.02834	0.5
103.93241	0.5
105.03374	43.5
105.04442	1.7
105.07014	0.7
111.03741	0.8
111.04421	9.5
113.45950	0.5
119.95394	0.5
121.02848	54.4
121.03801	2.1
121.04094	1.5
122.03159	1.0
134.05949	0.7
135.04343	0.6
137.02243	1.9
140.46603	0.5
146.05933	1.5
153.06940	0.9
165.06955	3.4
166.07707	3.8
167.08484	1.1
168.05630	0.7
176.06146	0.5
177.06972	2.7
178.07736	2.4
179.08537	5.6
181.06409	1.9
181.10025	3.0
189.06934	2.6
190.07712	5.1
191.08521	23.0
192.08957	1.1
193.06468	2.8
194.07233	8.8
195.07959	2.6
202.07640	0.8
204.05644	1.0
205.06461	10.2
206.07018	1.5
207.08037	11.4
208.08791	4.4
209.05939	0.8
209.09601	9.9
211.07439	1.6
217.06419	1.4
218.07297	2.4
219.06126	1.0
219.08031	13.5
220.08531	1.0
221.05949	4.0
222.06726	23.2
223.07442	4.6
233.05930	7.6
234.06578	1.5
235.07523	5.0
236.08231	4.8
237.09064	26.1
238.06395	0.5
238.09375	1.3
239.06956	3.7
242.08063	1.2
247.07544	6.4
248.08147	1.7
249.05556	2.3
250.06213	5.5
251.07008	2.9
251.10571	1.8
252.07727	1.0
253.08549	2.1
254.09021	0.7
255.10133	2.2
263.06894	2.5
264.07712	2.4
265.08560	83.2
266.09039	5.3
267.06494	6.2
267.10049	1.5
269.09137	5.6
279.10150	4.0
281.08041	0.6
282.08820	30.6
283.09473	2.9
297.11166	100.0
298.11490	5.4
312.12360	1.0
329.59671	0.5
346.65799	0.5
352.09564	1.2
353.10736	0.6
367.12460	1.0
368.12674	0.7
369.10269	0.9
370.10776	0.9
384.12137	2.0
395.11514	1.2
396.12405	1.6
398.10391	1.6
399.12125	0.5
401.13638	1.2
412.15112	0.9
413.12354	2.7
414.13300	1.7
417.13419	0.6
427.16025	0.6
428.14877	55.3
429.15024	3.7
445.17755	0.8
547.18683	1.2
548.16681	2.6
565.19720	36.0
565.28931	3.6
566.20148	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	565.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24888	0.4
51.07645	0.4
53.03934	0.9
54.26626	0.4
55.01853	0.6
57.07048	0.6
63.37242	0.5
65.03951	2.3
67.05496	0.7
69.03390	0.4
81.03406	0.6
81.07035	0.7
81.64550	0.4
85.02886	0.5
86.84338	0.4
89.99554	0.5
91.05458	0.6
95.04942	1.9
95.08586	0.6
105.03378	18.7
111.04449	2.7
121.02849	44.1
139.19920	0.4
147.04420	0.5
149.07115	1.9
165.06967	1.3
166.07759	1.5
167.08583	0.5
177.06975	1.2
178.07785	0.7
179.08528	2.8
181.06444	1.4
181.10078	1.8
182.40950	0.4
189.06926	0.9
190.07780	2.1
191.08527	12.5
191.10201	0.9
192.09012	0.5
193.06445	0.8
194.07288	3.9
195.08032	1.8
202.05721	0.5
202.07686	0.6
205.04897	0.8
205.06482	5.3
206.07201	0.7
207.08023	7.2
208.08788	2.5
209.09566	6.6
217.06477	0.7
218.07249	1.4
219.06099	0.8
219.08040	8.9
220.05365	0.4
221.05998	1.6
221.09663	0.6
222.04572	0.8
222.06721	15.6
223.07426	2.6
233.05899	4.8
235.07492	2.8
236.08305	2.1
237.09071	15.9
238.09526	0.4
239.06975	2.0
244.26324	2.8
247.07568	3.2
248.08299	0.5
249.05325	0.7
250.06210	3.5
251.07054	1.5
251.10701	0.8
253.08569	1.4
255.10173	1.8
263.06982	1.3
264.07776	1.6
265.08569	54.9
266.08881	2.4
267.06509	3.9
267.09506	0.6
269.09195	0.7
279.10196	2.1
280.10095	0.4
282.08826	19.2
283.09329	0.6
283.14957	0.5
297.11163	42.5
298.11368	1.4
306.61017	0.4
321.47684	0.4
368.13348	0.5
384.12296	0.6
413.12674	0.9
417.42447	0.5
428.14880	12.3
429.15784	0.5
445.17529	100.0
446.17850	6.0
565.19568	13.0
565.29541	5.4
566.19720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05190	0.2
58.72130	0.2
65.42621	0.2
67.05489	0.3
70.14354	1.3
76.47963	0.2
78.86274	0.2
79.05499	0.5
81.07094	0.3
95.04952	0.4
97.06525	0.6
103.05473	0.5
104.06243	0.2
105.07015	4.8
121.02905	0.6
137.02333	1.3
146.02380	0.6
147.24080	0.2
148.03946	0.5
165.07007	0.4
168.06932	0.3
173.09619	0.2
179.31250	0.2
210.06770	0.8
211.07527	0.5
219.06638	0.2
221.05962	0.3
224.04753	0.4
234.05389	0.3
235.06134	0.4
235.88686	0.3
236.04697	1.3
236.06894	0.4
237.07826	0.7
238.06233	2.0
239.06929	0.6
247.06273	1.3
248.04892	0.3
248.07008	1.3
249.05313	0.3
251.05765	0.4
251.07101	0.3
254.05795	0.4
254.07977	1.4
255.06499	0.9
256.07376	0.4
263.05725	0.7
264.06583	0.8
265.07324	1.6
266.05701	0.6
266.08127	1.3
267.06342	0.6
269.13000	0.5
271.09650	0.6
275.06036	0.3
276.06619	0.6
279.06540	1.7
280.06149	0.5
281.08075	0.3
282.05197	0.9
282.07843	0.5
283.08322	0.3
284.06827	0.8
286.08627	0.5
292.06180	0.6
293.06866	0.6
294.07596	3.0
295.05847	1.0
295.08737	0.3
297.07590	2.6
298.10785	8.1
299.09064	5.9
300.10257	0.4
308.09158	2.5
309.06903	0.7
309.10059	4.0
310.07001	2.3
311.09213	0.8
312.08771	0.8
313.07324	0.5
314.08157	0.4
315.08804	0.3
316.09848	0.4
322.07031	0.3
324.08762	2.4
325.07086	0.3
326.10687	0.5
327.08859	0.7
328.09656	0.6
330.07513	0.5
339.09024	0.5
341.06760	0.7
342.07620	0.8
343.08383	0.5
344.09143	0.3
346.10623	0.4
354.07181	0.4
355.08157	0.5
356.05444	0.3
356.09238	1.7
358.06845	0.4
358.10779	0.4
359.07870	0.5
368.09088	0.4
370.06705	1.4
371.07800	1.1
372.08676	0.8
373.09622	0.5
373.16666	0.6
374.06586	1.6
374.10666	0.5
377.08905	0.6
381.08646	0.3
383.07581	0.3
384.08325	1.3
385.09451	0.5
386.09161	2.2
387.07175	0.3
388.07651	0.5
388.11926	0.4
398.06519	0.5
399.07220	0.4
401.09024	0.7
402.09976	0.4
405.08209	0.7
412.07986	1.2
415.06970	0.6
416.11435	1.9
417.11996	0.3
418.13025	0.4
431.10059	0.6
433.07904	1.6
444.10699	2.2
445.15521	0.4
448.10214	0.4
449.10751	0.5
459.17041	1.2
473.14966	0.9
474.15686	0.5
475.16309	0.5
486.15274	0.4
487.16544	5.5
488.14163	0.3
489.14032	0.3
490.15121	3.0
493.17633	1.0
504.16785	0.9
505.17462	4.1
515.15778	2.6
519.14874	0.3
521.16888	1.2
521.35254	0.3
522.17828	0.8
531.15277	1.6
532.16296	0.6
533.17010	8.7
534.16882	0.3
537.20154	6.6
546.18280	0.4
547.18451	3.0
548.19427	3.1
549.16833	0.5
565.19617	100.0
566.20007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.4
59.78500	2.7
61.02929	3.5
69.29038	2.1
70.85539	5.8
70.85892	2.9
71.88454	2.4
85.02892	7.7
97.02908	2.5
109.02871	4.4
114.41969	2.6
119.04931	9.5
121.02849	46.9
135.04411	2.5
145.02831	6.2
151.83255	2.5
163.03944	3.0
177.01830	3.5
177.24518	2.3
179.03409	3.3
187.03825	2.5
189.01768	13.0
189.05522	3.3
190.02750	3.1
191.03383	7.3
195.02914	9.0
201.01807	3.7
202.80714	2.3
203.03380	14.8
205.04826	2.9
207.02832	10.9
214.28514	2.1
215.03328	5.5
217.04979	6.1
219.02866	5.9
221.04506	4.6
227.03427	2.4
229.04898	6.2
231.02873	2.4
233.04407	6.7
241.04784	4.2
245.04405	3.5
253.04814	2.8
255.02899	3.4
257.04370	3.1
267.06458	4.6
268.07217	6.4
273.03897	2.8
279.06485	8.1
280.07178	3.0
281.08035	8.0
283.05966	7.9
284.06683	2.4
285.03940	4.3
291.06290	3.1
293.07852	6.1
294.05228	25.6
295.06000	100.0
296.06668	9.2
297.07568	12.1
303.61389	2.4
307.05984	72.7
308.06821	20.4
309.07562	26.8
313.07016	5.0
317.07898	5.4
319.05966	12.1
319.09427	3.3
320.06735	7.1
321.04044	3.9
321.07559	43.7
322.08258	13.8
323.05579	4.9
323.09094	4.1
325.07040	99.3
326.07391	3.1
329.08099	2.6
333.07587	25.2
335.05594	3.8
335.09103	14.7
336.06137	3.5
337.07047	77.9
345.07465	4.5
347.05417	3.8
347.08975	11.8
348.05856	2.9
349.07022	49.0
349.11093	3.7
350.07516	3.7
351.08594	30.2
353.06573	3.5
355.08087	14.8
357.07220	4.6
359.09146	4.9
361.06955	29.3
361.10782	2.2
363.08640	13.8
365.10217	13.1
367.08148	12.8
373.07144	7.7
375.08554	11.3
377.10287	4.6
379.08060	96.4
385.06720	2.8
387.08557	7.7
389.10406	3.9
391.08112	31.9
393.09760	4.9
397.09109	55.8
401.10388	3.8
403.08044	20.9
404.08551	3.0
405.09695	13.0
409.09097	49.7
415.10504	19.2
419.11105	6.4
421.09167	24.0
427.10333	33.1
433.09091	20.1
439.10291	20.9
445.11285	41.3
451.10184	31.8
457.11292	57.9
463.10544	6.4
469.11276	66.1
475.10019	11.7
481.11401	37.8
493.11197	34.0
499.12244	33.3
511.12286	41.3
529.13300	57.2
547.14392	38.5
565.15448	7.5
586.26923	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	565.1544
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
53.51035	1.6
55.01859	4.8
57.03439	2.2
61.02904	2.0
70.94952	4.7
70.95321	1.4
75.99111	1.4
76.78203	1.5
81.03420	2.7
85.02896	3.2
85.34927	1.3
91.05469	2.0
93.03387	1.9
103.03945	1.9
107.04951	2.3
111.04420	2.1
111.51454	1.5
119.04922	7.7
121.02850	36.6
121.03745	2.0
130.86993	1.3
135.04399	1.5
145.02846	4.4
147.04346	2.3
159.04430	2.7
163.03914	3.2
177.01851	3.2
187.03806	3.0
189.01799	6.5
189.05525	2.4
191.03334	3.9
195.02867	6.4
199.03900	1.7
203.03354	13.3
205.04984	2.7
207.02870	7.2
215.03372	5.2
217.04958	5.5
219.02913	4.0
221.04456	6.7
225.05624	1.5
227.03343	2.2
229.04890	1.9
231.02927	1.9
233.04330	2.4
243.02916	3.3
243.06451	1.7
245.04460	3.8
261.03995	2.1
267.06393	2.4
268.07294	4.7
271.06165	1.6
273.03989	2.9
279.06442	4.2
280.07272	3.2
281.08096	4.3
283.06027	6.1
291.06601	1.7
292.07275	2.8
293.08002	4.1
294.05249	15.9
295.05966	70.8
296.06732	5.6
297.07431	7.3
304.07309	1.8
305.08145	2.0
307.05994	47.9
307.09171	2.1
308.06729	15.4
309.07437	16.7
313.07251	2.7
317.07974	3.4
319.05881	6.0
320.06781	7.1
321.04050	1.5
321.07501	42.1
322.08237	7.4
323.05597	2.2
323.09091	5.2
325.07019	60.4
325.10812	3.0
329.07968	3.4
333.07462	20.1
334.08139	4.9
335.05438	2.6
335.09079	18.8
336.06165	3.9
337.06998	45.7
338.07355	1.7
339.08600	4.6
345.07462	10.8
347.09155	7.3
349.06989	46.8
350.07632	2.9
351.08612	23.2
355.08102	8.3
359.09073	2.4
361.06964	28.1
361.11008	2.7
362.07526	2.0
363.08566	25.3
365.10095	4.2
367.08051	9.3
373.06970	13.0
375.04633	1.9
375.08817	9.1
379.08069	60.1
387.08517	5.5
389.10318	3.6
391.08044	45.0
397.09131	15.6
399.08585	2.4
401.10416	2.4
403.07944	13.2
405.09665	5.8
409.09122	74.7
415.08902	7.8
417.09595	5.8
419.11270	2.9
421.09085	7.9
427.10217	100.0
428.10507	2.4
429.09647	2.5
433.09039	14.0
439.10223	6.6
445.11017	18.1
451.10022	10.7
457.11118	17.4
463.10181	5.9
465.12204	1.7
469.11191	14.0
475.11066	8.3
481.11261	37.7
493.11139	14.9
499.12360	34.4
511.12296	65.2
529.13330	45.8
547.14447	26.3
565.15503	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	564.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03932	2.1
55.01850	0.5
55.05498	0.4
57.03418	0.5
61.02919	0.6
62.21666	0.3
67.05515	0.4
69.03423	1.9
70.06571	1.1
70.73395	1.3
71.04926	0.3
73.02878	0.4
78.71187	0.4
79.05445	0.6
81.03393	1.1
84.09000	0.3
85.02893	6.3
86.09664	0.4
91.05443	0.9
95.04963	3.9
95.08571	0.4
97.02872	1.8
97.06495	0.5
99.04417	0.8
100.47173	0.3
103.03920	0.9
105.03372	100.0
106.03718	1.4
107.04955	0.9
109.02866	1.3
112.50063	0.3
118.31408	0.3
118.89361	0.4
119.04922	0.6
119.64987	0.4
120.08099	2.3
121.02844	23.6
121.06470	0.4
122.03131	0.4
123.04425	0.5
124.03927	0.9
127.03903	2.6
131.08478	0.4
136.07552	1.0
137.05971	0.7
145.04912	1.3
151.03941	0.6
163.06007	0.5
167.07051	0.4
175.14830	0.7
197.09532	0.5
204.17236	0.3
226.54936	0.4
240.10150	64.8
241.10524	2.4
268.08041	0.6
271.06021	1.8
287.05289	0.5
295.06332	0.4
303.04834	1.1
325.06903	0.5
337.06903	0.4
384.57898	0.4
402.15146	2.6
419.00711	0.4
564.19690	1.9
565.10602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.8
57.03421	2.1
61.02908	1.8
63.03202	0.9
69.03401	1.1
71.32779	2.4
81.03374	1.1
85.02879	3.2
91.05458	1.1
97.02899	1.4
103.03918	2.4
107.04960	1.2
109.02859	1.9
111.04452	1.5
119.04899	6.5
121.02837	32.9
129.33841	1.2
131.04938	1.2
135.04391	1.5
145.02821	3.7
147.77296	1.1
150.67589	1.1
152.39401	1.2
159.04398	1.5
163.03824	1.8
175.03902	1.2
177.01807	3.2
177.05458	1.1
179.03445	1.7
187.03841	2.5
189.01776	5.0
189.05458	1.2
191.03365	4.3
195.02834	7.0
203.03337	10.4
207.02834	6.2
209.04437	1.2
213.05351	1.7
215.03398	3.9
217.04970	4.5
219.02858	4.0
221.04485	4.7
227.03307	2.4
229.04982	1.6
231.02892	1.6
233.04364	2.9
241.04936	1.3
243.02959	2.5
245.04424	2.5
253.05182	1.2
255.02792	1.2
261.03955	1.8
267.06561	1.4
268.07291	3.8
271.05923	1.6
273.03888	2.0
279.06531	3.3
280.07294	1.3
281.07999	3.3
283.06003	5.3
284.06641	1.2
291.06494	2.0
292.07266	1.8
293.07971	2.8
294.05170	15.8
295.05975	59.4
296.06625	4.3
297.04431	1.1
297.07541	4.7
305.07977	3.0
306.08804	3.0
307.02426	2.0
307.05981	39.6
307.09363	1.7
308.06741	14.3
309.03922	1.9
309.07407	14.8
313.07025	3.5
317.08066	4.9
319.05896	4.4
320.06741	6.9
321.04141	1.1
321.07507	32.7
322.08298	5.9
323.05527	1.9
323.09155	3.9
325.07001	54.4
326.07480	2.6
329.08044	2.8
331.05768	1.8
331.09491	1.5
333.07501	17.5
334.08356	4.3
335.05502	1.8
335.09103	18.6
336.06259	3.9
337.07016	48.4
338.07465	1.3
339.08530	6.3
345.07498	11.3
346.08273	1.3
347.09055	4.6
349.07019	40.5
349.10809	1.7
350.07385	2.0
351.04672	2.0
351.08600	20.3
355.08005	7.9
359.09149	3.1
361.06998	23.2
361.10968	2.1
362.07697	1.9
363.08569	24.2
363.12906	1.9
367.08130	6.5
368.79016	1.3
373.06934	15.1
373.10864	0.8
374.07379	1.1
375.08768	7.8
377.10263	1.3
379.08038	50.8
380.08075	1.2
387.08575	5.8
387.14828	1.3
389.10385	1.4
391.08057	55.5
393.09753	1.8
397.09323	1.3
401.10254	3.6
403.08041	7.3
405.09521	2.5
409.09116	73.9
410.09634	1.8
415.08038	8.3
417.09683	3.0
421.08926	5.4
427.10196	100.0
428.10626	2.2
429.09210	1.9
433.09073	9.7
439.10132	4.1
445.10059	6.5
451.09967	2.0
457.11179	10.0
463.10040	6.4
475.11963	10.0
481.11282	23.0
493.11215	11.7
499.12302	17.6
500.13205	1.2
511.12289	74.2
529.13354	41.0
547.14362	15.7
565.15143	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	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01856	7.4
55.05258	2.7
55.05502	34.1
57.03424	10.6
57.07057	5.8
60.50347	1.6
65.03926	3.6
67.05493	88.4
68.05827	2.2
69.03399	6.3
69.07054	22.0
69.57595	3.4
69.58010	13.0
71.04973	5.7
76.90060	1.7
79.05016	2.3
79.05480	52.2
81.03408	25.0
81.07043	95.0
82.07358	2.5
83.04964	15.3
83.08602	24.2
85.02892	8.5
85.06487	3.9
91.05471	48.3
93.07029	58.5
94.07371	3.6
95.04958	16.6
95.08591	58.4
97.06543	8.5
97.10165	15.2
98.20699	4.0
99.08076	2.9
105.07010	45.0
106.07320	3.1
107.04932	4.8
107.08574	41.7
108.08921	2.7
109.06515	5.5
109.10136	38.3
111.04413	6.8
111.08096	8.8
111.08780	1.8
113.05987	2.3
115.05389	2.1
117.06999	13.7
119.08562	40.7
120.08862	1.9
121.02839	5.8
121.06480	4.9
121.10126	26.3
123.08018	4.9
123.11690	12.1
125.09599	11.4
125.62655	1.8
129.06993	11.5
131.08546	28.4
133.06523	2.2
133.10112	30.8
135.07990	4.5
135.11664	23.3
137.09596	5.2
137.13229	2.7
139.11115	2.9
141.06973	2.2
142.07738	2.7
143.08524	11.2
145.09091	2.8
145.10107	23.5
147.08044	3.1
147.11662	25.0
149.09572	6.7
149.13222	8.6
151.11134	4.1
153.09125	1.8
153.12703	5.7
154.07782	1.7
155.08505	7.5
157.10147	13.4
159.11676	16.1
161.09497	1.8
161.13228	10.1
162.62170	1.6
163.11160	7.5
163.14786	2.5
165.12756	3.0
169.10133	5.3
171.11676	8.2
173.09702	2.2
173.11818	2.9
173.13193	12.5
175.11174	8.0
175.14793	5.6
181.10120	4.2
181.12242	3.6
183.11658	5.2
185.13260	5.7
187.14812	6.6
189.11237	5.5
193.12212	18.4
195.11652	4.3
197.13235	3.8
199.14789	3.7
209.13292	3.3
211.13240	27.3
211.14891	1.8
213.16470	2.0
223.14754	2.7
227.12677	9.1
229.14375	8.2
243.20984	2.8
261.22055	17.0
265.08386	1.9
267.15979	3.6
269.17459	2.7
273.21838	1.9
279.23199	3.3
283.15436	2.5
285.16879	12.6
285.22046	4.3
299.23813	4.3
301.25012	3.8
303.23135	6.7
317.24640	4.0
335.25778	29.6
359.25497	3.4
417.31546	2.5
426.27451	1.8
435.32462	8.6
453.33386	13.3
471.34869	8.2
473.32684	3.9
487.34036	3.0
489.35541	3.6
509.35889	3.8
527.37280	36.8
545.38275	100.0
563.39063	50.1
563.93335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01855	5.0
55.05501	32.2
57.03424	12.6
57.07060	2.4
59.04987	1.9
65.03930	3.2
66.99697	1.8
67.05125	4.4
67.05490	87.4
69.03423	3.4
69.07060	23.4
70.13678	8.4
71.04977	4.6
74.70659	2.0
77.03909	1.9
79.05474	50.3
81.03400	32.1
81.07040	84.3
83.04969	16.1
83.08598	24.9
85.02889	11.0
85.06532	3.0
91.05462	50.8
93.07027	59.0
95.04949	19.2
95.08586	65.2
97.06516	8.9
97.10168	11.5
98.21381	2.4
99.08089	5.1
105.07004	36.8
107.04964	4.8
107.08565	39.7
109.06514	6.2
109.10135	28.3
111.04423	5.5
111.08045	11.3
113.09634	2.9
115.05418	2.1
117.07013	14.4
119.08555	37.8
121.06528	3.4
121.10121	27.4
123.08069	5.3
123.11637	9.6
125.09612	12.3
128.06172	2.2
129.06990	13.5
131.08542	31.9
133.10101	26.9
135.08072	3.3
135.11659	18.9
137.09612	5.2
137.13235	3.1
142.07739	3.1
143.08545	8.9
145.10110	25.0
147.08063	4.4
147.11652	21.8
149.09616	6.9
149.13226	9.3
151.11177	2.9
153.09091	2.7
153.12735	3.3
155.08533	5.5
156.09291	2.1
157.10124	15.0
159.11671	14.8
161.13193	10.5
163.11145	5.4
163.14799	2.8
169.10130	5.7
171.11623	10.3
173.09613	2.3
173.13206	12.4
175.11151	9.4
175.14763	3.6
181.10121	4.2
181.12202	1.8
183.11655	4.4
185.13202	6.0
187.14857	5.9
189.11166	6.1
191.14317	3.3
193.10339	2.0
193.12163	29.1
195.11543	2.0
197.13240	4.9
199.14821	6.8
209.13223	2.1
211.13205	41.5
211.14815	3.9
213.16374	3.0
221.15334	2.1
225.16431	2.0
227.12721	8.7
229.14351	4.0
243.21111	3.6
261.22025	13.0
267.15833	4.9
269.17249	2.4
279.23175	3.5
281.22910	2.0
283.15555	3.3
283.19077	1.8
285.16882	24.2
285.22116	6.6
299.23373	2.3
301.21735	4.0
301.25189	4.0
303.23160	8.3
317.24756	4.1
327.23102	2.3
335.25668	26.9
341.24792	3.1
359.25482	2.4
373.27432	2.5
379.25082	1.9
391.28748	2.2
417.31290	3.9
435.32608	8.4
451.30774	2.8
453.33542	11.9
471.34482	11.0
473.32645	3.1
487.34378	5.7
489.35742	3.0
509.36401	3.5
527.37286	42.1
545.38293	100.0
546.38800	2.7
563.26160	3.2
563.39307	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	563.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.4
55.01861	7.0
55.05499	32.7
57.03429	14.7
57.07068	2.4
65.03931	3.9
67.05492	83.3
69.03407	4.2
69.07059	22.0
71.04983	5.9
71.21268	2.6
71.21581	3.4
79.05476	57.2
80.44705	1.9
81.03404	32.2
81.07041	92.3
83.04963	13.4
83.08611	24.4
85.02863	11.4
85.06521	5.0
91.05457	42.0
93.07027	56.9
95.04941	18.4
95.08591	62.3
97.06509	10.7
97.10143	15.9
99.08069	3.0
103.22659	1.8
105.07005	39.9
107.04908	3.3
107.08583	34.1
109.06512	7.9
109.10136	29.8
111.04416	5.4
111.08078	12.3
117.07006	14.0
119.08559	34.1
121.06470	3.0
121.10121	26.5
123.08062	2.9
123.11676	11.5
125.09604	9.3
126.58283	2.0
127.59614	2.0
129.06981	10.4
131.08542	30.1
131.09445	3.0
133.10095	28.6
135.07994	4.1
135.11658	20.0
137.09567	3.7
137.13232	4.0
139.11185	3.3
141.07021	2.1
142.07730	2.6
143.08540	8.4
144.09474	2.1
145.10100	21.5
147.08046	2.4
147.11667	18.0
149.09569	7.3
149.13232	7.7
153.12662	3.6
155.08569	3.9
157.10091	14.8
159.11690	15.2
161.13240	8.7
163.11113	4.7
163.14812	2.6
165.12695	3.6
169.10005	5.2
171.11652	7.2
173.13214	13.7
173.68370	2.0
175.11229	7.9
175.14813	4.5
181.10107	3.3
181.12239	4.9
183.11658	4.1
185.13235	4.1
187.14822	5.9
189.11192	8.2
189.16365	2.8
191.10677	3.6
191.14334	3.0
193.12184	23.2
197.13147	4.0
199.14854	4.6
201.16344	2.0
209.13243	2.8
211.13263	35.9
211.15117	3.0
217.19389	2.1
223.14708	2.1
227.12720	7.2
229.14316	6.2
243.15726	2.3
243.21001	3.6
261.19418	3.1
261.22021	20.5
267.15811	5.8
279.23090	3.0
283.15475	3.1
285.16928	20.5
285.21884	3.6
287.19897	2.3
301.24988	2.6
303.23227	5.2
317.24673	5.6
335.25784	35.6
377.26828	2.5
435.32220	7.5
447.31290	2.2
453.33823	10.4
453.39371	2.0
471.34680	10.3
473.32745	2.9
487.34085	4.9
489.35614	3.2
527.37299	34.7
545.38269	100.0
546.38538	2.2
563.39423	32.5
587.35138	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	562.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
53.14729	0.4
57.07067	0.5
67.05476	0.5
71.79199	0.7
77.03909	0.4
79.05477	6.6
89.05984	0.5
89.64744	0.5
90.92057	0.4
95.04946	1.9
101.76283	0.4
103.05457	6.1
105.07014	100.0
106.07357	0.8
111.02741	0.4
128.28548	0.5
276.71741	0.4
380.25824	12.0
388.31836	0.9
454.96109	0.5
492.38324	56.0
493.39017	3.6
562.37933	0.9
562.46112	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	563.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95558	0.3
52.16758	0.3
57.03418	0.3
65.32490	0.2
67.05491	0.5
67.31696	0.3
69.04223	0.3
71.80907	0.4
77.58632	0.3
81.07056	0.5
82.91862	0.3
83.38249	0.3
91.05470	0.6
93.07050	0.3
95.04935	0.4
95.08591	0.4
103.05409	0.3
105.03382	0.6
120.04440	0.3
120.08086	4.8
121.02843	1.2
137.02327	5.0
146.02344	1.2
148.03923	1.0
210.06793	0.7
213.05490	0.3
220.07671	0.4
224.04726	0.5
235.06317	0.7
236.04706	1.4
236.06946	0.6
237.07793	0.6
238.06235	1.8
239.07069	0.5
247.06258	1.1
248.06984	1.5
251.05779	0.4
254.08083	1.6
255.06549	1.4
256.09698	2.6
263.05847	1.2
264.06622	0.4
264.31976	0.4
265.07278	1.7
266.05707	1.2
266.08151	0.7
267.06366	0.5
267.11209	0.4
271.09650	0.8
276.06458	0.5
279.06378	1.0
280.06052	0.9
282.05157	0.9
282.07773	0.5
283.08649	0.6
284.06815	0.6
291.05215	0.7
292.06030	0.8
293.06769	0.7
294.07651	1.6
295.05945	0.9
296.06693	0.3
297.07483	2.1
298.10754	7.3
298.13934	0.6
299.09088	5.2
300.10114	0.8
302.08063	0.5
308.05743	0.5
308.09073	3.3
309.06674	1.1
309.10028	1.0
310.07010	1.8
311.08969	0.6
313.07507	0.5
314.08044	0.6
316.09891	0.4
323.07733	0.6
324.08643	8.8
325.09293	0.6
326.08002	0.6
327.08948	0.8
328.09644	1.8
329.10318	0.4
330.07486	0.7
331.08221	0.8
338.07861	0.4
339.08862	0.9
340.06012	0.6
340.09848	0.5
341.06863	0.9
342.07599	1.5
343.08118	0.6
344.09152	0.7
345.10010	0.7
346.10730	0.9
354.07602	0.6
355.08365	0.8
356.09161	2.8
357.10110	0.7
358.07059	1.2
359.07944	0.6
360.08530	0.4
360.12469	0.4
368.09491	0.4
370.07150	1.9
371.07764	3.0
372.08945	0.5
373.09506	1.1
374.06168	2.7
374.10690	1.7
377.08813	0.4
383.07855	0.4
384.08524	1.8
387.07254	0.9
388.07962	1.2
388.11960	1.1
389.08841	0.7
398.06149	0.4
399.07388	1.3
400.07736	0.5
401.08884	1.6
402.10028	0.7
405.08078	1.8
412.08115	2.3
415.06741	0.7
416.11618	4.2
417.08286	2.8
430.09091	1.1
431.10117	1.3
432.10953	2.0
433.07767	1.6
444.10687	5.6
448.10037	2.4
449.10928	0.5
485.14697	2.5
487.13474	0.3
488.13644	1.8
491.15579	0.8
502.15472	0.7
503.15924	2.8
505.14246	0.4
513.14423	1.9
519.15735	1.0
520.16217	0.7
529.13910	0.8
531.15430	6.6
532.15985	0.4
535.18561	6.6
545.17084	2.2
546.17773	2.9
548.15271	0.4
563.18036	100.0
564.18274	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	562.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.3
50.32061	0.2
51.02369	0.7
51.80202	0.2
53.03936	3.3
55.01864	0.3
56.56210	0.3
57.03443	0.4
61.02907	0.5
69.03412	1.9
70.93758	0.6
71.04972	0.5
73.02897	0.5
77.03929	0.6
79.05472	0.2
81.03404	3.6
83.04959	0.3
85.02381	0.3
85.02890	6.5
87.04442	0.3
95.04949	5.1
97.02878	4.0
99.04440	5.0
103.03922	4.6
103.04577	0.4
105.03373	100.0
106.03728	0.7
107.04956	0.3
109.02864	3.7
109.10150	0.3
121.02853	0.5
122.05988	0.5
127.03891	9.5
135.04359	0.4
137.02310	0.4
145.04950	3.4
146.08270	0.3
152.07068	0.6
153.01828	0.3
163.06009	0.9
186.26564	0.2
187.06018	0.8
198.28271	0.2
243.06487	0.5
245.69205	0.2
256.09647	56.7
257.09949	0.6
271.08029	0.8
278.36896	0.3
400.11084	0.5
421.47195	0.3
562.18622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55461	1.0
53.03938	3.9
54.09564	1.1
55.01864	3.1
55.05502	13.0
56.47201	1.0
57.03426	10.9
65.03926	1.7
67.05492	18.4
69.03411	4.0
69.07061	6.3
70.06584	1.2
71.02885	3.5
71.04987	3.8
79.05469	20.1
81.03403	77.6
81.07043	20.6
82.00063	1.1
83.04975	9.2
83.08607	21.6
85.02892	11.0
85.06546	1.6
91.05471	27.6
93.07024	14.2
95.04955	26.8
95.08592	9.4
97.02890	3.1
97.06499	2.9
97.10149	5.5
99.08082	1.3
101.39294	1.1
105.07016	17.1
105.96724	1.1
107.04930	7.9
107.08569	7.3
109.06502	4.9
109.10138	4.0
111.04420	2.7
111.08083	8.5
115.05415	2.1
117.07021	2.7
119.04848	1.1
119.08559	18.7
121.06470	3.5
121.10094	7.4
123.08036	2.5
125.09677	2.6
129.06967	11.6
131.08554	9.2
133.06451	3.3
133.10083	6.4
135.08072	1.6
137.09598	1.9
141.06972	1.4
142.07785	2.8
145.06470	3.8
145.10088	3.1
147.08011	4.8
147.11656	12.4
147.66507	1.1
149.09549	5.9
157.10106	11.0
159.11613	1.3
163.11172	2.5
165.12730	3.4
171.11667	1.3
175.11172	14.1
176.07085	1.4
189.76778	1.3
193.12209	29.1
211.13275	21.6
211.15149	2.1
229.14182	1.6
231.13696	1.4
249.14902	2.5
255.13869	2.5
267.15875	100.0
273.14792	2.5
285.16879	17.3
291.19504	3.1
296.92761	1.1
349.21555	3.5
365.23199	4.0
367.22574	10.4
385.23691	12.6
403.24728	2.0
433.25812	9.6
441.26260	5.9
459.27386	53.9
460.27774	1.4
477.28412	41.7
538.49213	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.8
55.01862	5.3
55.05502	33.2
57.03430	10.7
57.07057	4.5
59.04977	1.5
65.02496	1.2
65.03928	2.9
67.05495	68.6
69.03406	5.9
69.07058	19.4
71.04967	6.6
71.08622	2.9
71.23405	4.4
79.05482	41.1
81.03409	26.6
81.07047	55.8
81.07533	3.4
82.07396	1.4
83.04960	10.2
83.08611	22.9
85.02882	5.5
85.06516	2.8
91.04903	2.8
91.05470	54.7
91.45440	1.9
93.07030	47.7
95.04947	17.1
95.08595	37.3
97.06532	12.0
97.10156	14.5
99.08081	3.4
105.04491	1.8
105.07015	53.2
105.07707	3.3
107.04923	7.0
107.08574	30.5
109.06500	6.4
109.10143	26.4
109.62487	1.3
111.04402	1.9
111.08080	7.3
117.07013	22.0
119.08571	43.2
121.06487	4.3
121.10132	21.4
123.08057	5.2
123.11686	4.6
125.09618	9.0
128.06210	5.1
129.06981	19.1
130.07706	1.6
131.04883	1.6
131.08546	41.3
133.06485	2.1
133.10112	32.9
135.08043	3.5
135.11653	11.5
137.09573	4.0
139.11171	1.6
141.06967	5.7
142.07758	4.5
143.08540	18.9
145.06502	1.9
145.10107	29.4
147.08028	3.8
147.11656	28.4
149.09587	5.6
149.13210	6.7
151.11200	1.5
155.08551	12.9
156.09238	1.8
157.10107	25.3
159.08098	2.4
159.11688	17.7
161.09583	2.2
161.13231	14.6
163.11148	3.2
167.08514	4.9
168.09340	2.4
169.10104	11.9
170.10843	2.0
171.11658	17.5
173.09604	2.1
173.11765	3.0
173.13237	12.4
175.09845	1.5
175.11124	7.0
175.14818	6.1
177.12729	2.5
179.14188	1.9
181.10054	5.6
183.11674	11.5
185.13237	10.1
187.11099	1.5
187.14795	7.8
189.11189	4.5
189.12700	2.4
191.14299	1.7
193.10371	2.9
193.12199	18.2
195.11691	5.8
197.13268	8.8
199.14813	7.5
201.16333	1.9
205.04958	1.4
207.11615	1.9
209.13301	7.8
211.13205	19.1
211.14880	3.0
213.16379	3.8
215.17964	2.2
221.13319	2.9
222.95758	1.3
223.14822	4.9
225.16299	1.8
227.12715	7.5
229.14223	6.8
231.20970	2.8
237.16504	1.9
238.46510	1.5
241.19511	13.9
257.18900	2.1
259.20541	30.8
267.15860	7.5
275.20074	5.8
277.21655	5.8
283.20453	2.6
285.16843	13.6
285.21863	2.4
297.22025	5.3
299.20316	1.9
299.23688	4.7
301.21570	2.7
315.23349	9.4
322.10611	3.2
333.24203	22.9
339.23248	2.1
351.24899	2.0
353.24905	1.9
371.25824	2.8
379.26163	2.6
389.26782	3.5
405.31339	1.8
415.29703	4.0
421.29565	2.5
423.32440	3.8
433.30978	10.6
451.32047	12.2
469.33356	11.1
471.32089	2.0
487.34027	4.5
499.34534	1.8
507.34561	4.6
515.37134	2.6
517.35150	4.3
525.35681	28.9
543.36749	100.0
544.36731	4.6
561.29504	2.1
561.37781	37.6
582.68500	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23139	1.2
50.89646	1.3
51.02369	1.5
51.04649	1.6
53.03929	4.5
55.01859	7.8
55.05260	2.6
55.05501	30.4
56.05565	1.4
57.03433	12.5
57.07069	3.8
65.03918	2.7
67.05493	72.3
69.03410	2.3
69.07055	21.2
70.91836	1.4
70.92165	3.5
71.04980	6.1
71.08627	2.3
79.05481	48.4
79.62761	1.2
81.03402	25.0
81.07043	51.6
83.04981	10.5
83.08611	20.8
85.02902	7.1
85.06525	5.5
86.09674	1.6
91.05466	57.1
93.07031	48.0
95.04958	17.3
95.08593	34.7
97.06522	8.4
97.09653	1.4
97.10175	14.2
99.08061	2.2
103.05434	3.6
105.07013	48.2
107.04943	5.8
107.08584	25.5
109.06493	6.4
109.10139	29.4
111.04462	2.7
111.08061	6.1
115.05431	2.2
117.07011	27.3
118.64320	1.5
119.08566	40.5
121.02720	1.6
121.06511	2.6
121.10130	18.1
121.63490	1.3
123.08097	3.4
123.11652	4.0
125.09617	9.9
128.06215	4.0
129.05498	2.3
129.06996	23.6
130.07784	2.4
131.08543	37.8
133.06485	2.9
133.10103	28.8
135.08044	3.4
135.11668	11.6
137.09584	3.3
141.06972	4.9
142.07802	2.6
143.08551	18.3
144.09251	1.9
145.06483	2.2
145.10110	28.1
147.04454	1.6
147.08040	2.9
147.11659	28.8
147.12817	1.6
149.09605	5.6
149.13239	5.7
151.11165	1.9
155.08524	11.7
157.10101	21.7
159.08058	1.9
159.11664	19.4
161.13251	15.5
163.11157	4.5
167.08528	2.7
168.09259	1.6
169.10062	12.2
171.11678	15.8
173.09560	2.8
173.11800	2.3
173.13217	15.2
175.11128	8.7
175.14818	5.2
177.05411	2.7
177.12675	2.1
181.10095	5.4
183.11670	10.4
184.07216	1.6
185.13243	13.6
187.03915	1.6
187.11102	2.0
187.14807	5.2
189.11179	5.0
189.12747	1.9
193.10162	3.2
193.12219	15.2
195.11702	7.2
195.13589	1.3
197.13245	7.7
199.11069	2.2
199.14848	6.8
201.12698	2.2
201.16367	1.8
203.14278	1.9
205.05069	1.9
207.11754	3.0
209.13254	4.2
211.13232	22.9
211.14841	2.3
213.16399	2.9
215.03290	2.1
215.18040	1.9
217.15759	1.4
221.13226	3.9
223.14848	3.3
225.16286	3.2
227.12767	6.5
229.14218	6.7
231.21021	2.6
235.14842	2.2
237.16275	2.2
241.19489	11.7
257.18994	2.0
259.20517	31.3
267.15860	6.3
275.20139	3.5
277.21640	3.8
281.19202	1.8
283.15302	1.9
283.20630	2.8
285.16852	14.5
297.22079	5.1
299.23526	3.4
301.21432	1.8
305.41663	1.6
313.21643	2.7
315.23203	9.9
322.10730	5.0
333.24194	20.3
335.23386	1.8
343.22626	1.6
353.24753	2.7
357.24237	1.8
369.20538	3.1
371.25836	2.7
389.26782	2.7
405.31342	2.2
415.29449	2.9
423.32898	1.7
433.31113	13.3
451.32166	11.2
469.33051	9.9
471.31516	3.0
485.32932	2.7
487.34070	4.7
507.34561	4.0
515.36743	2.2
517.35028	3.4
525.35699	30.3
526.36316	2.1
543.36743	100.0
544.36951	4.9
561.37787	37.8
562.37903	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01865	6.1
55.05501	28.2
57.03427	7.1
57.07089	1.7
59.04970	2.3
62.56250	1.2
64.58585	1.1
65.03918	2.6
67.05493	47.6
69.03406	4.6
69.07053	16.0
71.04975	4.1
71.31528	1.6
71.31854	2.1
79.05479	35.0
81.03400	9.5
81.07039	45.3
83.01317	1.7
83.04955	13.3
83.08604	16.5
85.02885	1.9
85.06519	3.3
90.93991	1.2
91.05462	26.4
93.07025	35.8
95.04964	9.9
95.08591	31.4
97.06510	4.3
97.10152	21.9
99.08081	2.3
103.05492	1.3
105.07009	27.5
107.04926	4.1
107.08568	28.2
108.82655	1.2
109.06495	4.1
109.10130	19.2
111.04433	6.7
111.08077	5.5
115.05364	1.9
117.06985	13.9
119.08554	24.6
119.85778	1.3
121.06525	3.2
121.10126	17.2
123.08038	5.0
123.11678	5.5
125.05995	1.2
125.09618	20.0
128.06236	1.3
129.06981	7.4
131.08549	22.7
133.06473	2.0
133.10088	17.8
135.08061	2.6
135.11652	16.7
137.09583	1.3
141.06918	2.1
143.08551	8.8
145.06406	2.2
145.10101	23.8
147.07997	2.1
147.11649	12.5
149.09596	4.0
149.13229	4.9
153.09004	2.0
153.12738	4.8
155.08548	4.3
157.10081	9.3
159.08054	1.7
159.11673	13.6
161.09541	2.3
161.13243	6.6
163.11160	9.3
163.14879	2.3
167.08568	1.8
169.10103	4.4
171.10298	2.6
171.11662	8.8
173.09584	3.3
173.11911	1.9
173.13206	9.2
175.11143	3.4
175.14792	2.6
177.16357	1.6
181.10193	1.8
181.12227	7.2
183.10167	1.3
183.11621	5.8
185.13202	8.2
187.11143	2.6
187.14806	5.1
189.11194	14.1
189.12691	1.4
193.12186	4.4
195.11615	2.7
197.13136	2.9
199.14818	3.1
201.16341	2.9
209.11671	3.5
209.13390	2.0
211.13274	3.2
211.14983	1.6
213.16220	1.3
225.12935	1.2
225.16505	1.6
227.12723	32.5
233.15318	1.5
241.19350	2.3
243.21097	2.8
245.14067	1.7
248.84981	1.2
259.20566	4.5
261.22067	11.3
267.15976	3.4
277.21719	3.6
281.22583	1.4
283.15375	16.4
299.23627	13.4
301.21494	3.1
315.23135	3.4
317.24728	10.1
325.21643	1.4
327.23044	1.6
333.24573	2.7
335.25836	11.3
357.24191	2.6
375.25287	2.4
415.29944	2.3
423.32361	2.6
433.31134	5.3
451.31979	10.0
469.33075	12.8
487.34122	9.4
515.37506	3.3
525.35645	17.6
543.36713	100.0
544.36768	6.5
561.37787	54.8
562.37872	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	561.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01862	5.4
55.05502	37.7
57.03416	9.3
57.07055	2.2
59.04969	1.9
63.28278	1.1
65.03923	2.7
67.05492	50.3
69.03411	1.7
69.07056	14.9
69.45471	1.6
69.45803	13.6
71.04973	3.9
74.94371	1.2
79.05479	35.4
81.03407	7.5
81.07045	51.1
81.07532	2.6
83.04971	10.9
83.08600	17.0
85.02895	1.5
85.06520	3.6
90.50709	1.1
91.05460	29.6
91.66007	1.3
93.07022	39.4
95.04958	11.0
95.08593	34.4
97.02895	1.6
97.06528	4.8
97.10155	27.0
97.10786	1.8
98.20641	2.1
99.08083	1.9
100.20586	1.1
105.07019	28.7
107.04951	5.0
107.08575	28.8
109.06514	3.0
109.10128	19.4
111.04418	4.6
111.08089	6.1
117.07008	18.4
119.08562	28.0
121.06494	3.8
121.10127	18.5
123.08070	3.9
123.11710	6.7
125.09606	18.6
128.06204	2.0
129.06993	9.2
131.04938	1.4
131.08546	23.6
133.10120	19.3
135.07990	3.0
135.11668	15.4
137.09596	2.7
137.13194	2.5
141.06985	2.1
142.07779	1.9
143.08508	9.7
145.06517	2.4
145.10110	22.2
145.11201	1.7
147.11676	12.1
149.09631	2.9
149.13245	5.4
153.12712	4.3
155.08568	4.7
157.10110	10.6
159.07997	1.4
159.11667	17.0
161.09598	1.8
161.13242	6.9
163.11203	10.8
163.14906	2.8
165.70721	1.1
167.08513	1.7
169.10124	5.3
171.10390	1.6
171.11612	7.3
173.09602	2.5
173.11919	2.0
173.13217	9.3
175.11130	1.9
175.14838	2.0
181.10185	2.1
181.12250	5.9
183.11711	5.9
185.13206	6.3
187.11255	1.5
187.13312	2.0
187.14827	5.2
189.11201	10.0
189.12704	2.2
189.16333	1.7
191.10669	3.5
193.10362	1.2
193.12256	4.6
195.11688	3.1
197.13283	2.8
199.14803	3.6
201.16383	2.9
209.11708	3.8
209.13452	2.0
211.13202	2.5
211.14931	3.2
213.16385	1.6
215.17937	1.3
223.14812	2.4
225.16229	1.6
227.12720	23.4
227.14722	1.6
241.19525	2.2
243.15779	1.3
243.21140	3.1
245.13937	3.4
259.20389	5.6
261.22165	11.9
265.19666	1.5
267.15826	2.0
271.24216	1.4
277.21597	2.7
279.23389	2.1
283.15363	16.1
283.20398	2.7
285.16870	1.7
297.21945	1.6
299.23639	18.2
301.21677	2.6
303.46945	1.3
315.23062	1.8
317.24609	9.3
331.01855	1.3
333.24164	4.6
335.25772	13.1
339.23254	1.4
345.24115	1.5
374.34158	2.1
382.30493	1.3
415.30124	1.3
423.32767	2.2
433.30817	8.2
441.33911	2.2
451.32007	9.9
461.07025	1.3
469.33310	8.7
487.34149	10.3
496.10498	1.2
515.37445	3.1
517.34961	1.6
525.35803	18.6
543.36731	100.0
544.37067	4.1
561.37817	49.9
562.38239	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33440	1.5
53.03929	4.0
55.01862	8.3
55.05503	32.6
57.03441	7.8
57.07065	3.3
65.03930	2.1
65.04800	1.5
67.05494	60.8
69.03416	4.2
69.07056	14.5
70.87210	2.3
70.87572	4.0
71.04979	6.7
77.03848	1.8
79.05479	40.4
81.03407	13.4
81.07040	56.8
82.95829	1.8
83.04959	11.0
83.08609	20.8
85.06532	2.5
85.45561	1.4
91.05462	30.5
93.07026	43.2
95.04939	9.0
95.08591	37.3
97.02944	2.0
97.06512	6.0
97.10158	23.5
105.07008	30.3
107.04948	5.2
107.08577	29.7
109.06504	5.8
109.10138	22.3
111.04411	8.4
111.08054	5.1
115.05410	1.7
117.07001	16.1
119.08543	22.7
120.47771	1.4
121.06542	1.8
121.10139	15.8
123.08103	3.8
123.11707	7.2
125.09609	18.0
125.32250	1.8
129.06972	10.0
131.08533	23.2
133.06474	1.7
133.10123	14.6
135.08081	5.3
135.11656	13.8
143.08522	10.4
145.06482	1.9
145.10112	24.7
147.11673	13.9
149.09616	4.6
149.13235	5.3
151.11186	1.6
153.06859	1.5
153.09090	2.2
153.12706	8.2
155.08569	5.4
157.10121	10.2
159.08090	1.9
159.11639	15.6
161.13219	9.8
163.11154	11.5
163.14799	2.7
169.10130	3.9
171.10381	1.9
171.11649	8.0
173.09639	3.2
173.13226	11.9
175.14813	4.4
177.12608	1.9
181.10132	3.0
181.12209	8.1
183.11705	6.7
185.13264	4.3
187.11282	2.1
187.14854	5.4
189.11223	13.0
189.12708	2.1
191.10628	3.4
193.12207	4.3
195.11705	3.4
197.13248	3.6
199.14832	3.4
199.72850	1.7
201.16364	1.9
203.57709	1.7
209.11613	3.1
209.13371	3.3
211.13255	4.0
227.12732	33.6
241.19415	2.4
243.21046	1.8
245.13875	2.4
259.20532	4.9
261.22122	7.5
267.15866	3.1
273.22089	2.4
277.21771	2.5
279.23309	2.2
283.15378	18.4
285.17026	2.8
299.20544	2.8
299.23581	12.0
301.21658	5.2
315.23059	3.3
317.24753	7.7
333.24277	3.4
335.25980	7.8
375.25861	2.3
405.31393	1.9
415.30115	3.2
423.32318	2.4
433.31140	7.9
451.32172	13.3
459.35211	1.9
469.33255	12.1
487.34039	10.4
515.37469	3.4
525.35638	22.2
525.42786	2.5
543.36749	100.0
544.37012	8.3
561.37793	59.1
562.38757	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	561.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03925	3.2
55.01854	5.6
55.05502	39.2
57.03439	7.5
57.03658	1.4
57.07066	2.2
59.04981	1.7
62.54418	1.1
63.65345	1.2
65.03919	2.5
67.05497	49.6
69.03411	2.8
69.07055	13.9
70.27650	6.7
71.04974	3.6
72.22272	1.2
77.03886	1.7
79.05484	38.7
81.03395	8.3
81.07045	58.4
83.04976	11.6
83.08607	16.0
83.72076	1.4
85.06515	3.6
91.04906	2.0
91.05473	33.8
93.07036	40.0
95.04953	10.6
95.08591	36.1
96.08897	1.3
97.06506	5.3
97.10153	24.1
105.07020	30.8
107.04948	6.6
107.07892	2.1
107.08575	27.3
109.06488	5.7
109.10139	22.2
111.04393	7.9
111.08073	6.5
117.07020	16.5
119.08566	25.3
121.06524	2.7
121.10136	16.0
121.36192	1.4
123.08065	3.8
123.11677	6.4
125.09618	19.4
129.06972	8.3
129.07802	1.5
130.07709	1.5
131.07634	1.8
131.08554	24.8
133.06476	2.2
133.10101	19.3
135.08020	5.3
135.11670	15.1
137.13248	1.2
141.06978	2.6
143.08536	7.9
145.10114	25.9
147.08032	2.1
147.11649	12.3
149.09560	3.3
149.13228	4.8
151.11128	1.7
153.09119	2.8
153.12694	6.3
155.08501	3.2
157.10129	8.1
159.07977	1.7
159.11650	17.4
161.13225	6.9
163.11172	11.6
163.14745	2.2
167.08548	3.2
169.10085	6.6
171.11627	6.4
173.09663	3.1
173.13216	11.5
175.11137	2.3
175.14824	2.5
177.12750	1.5
181.10019	1.9
181.12198	5.1
183.11682	5.7
185.13243	5.6
187.14812	6.2
189.11186	8.2
189.12714	2.7
191.10631	5.2
191.14355	1.7
193.12241	3.8
195.11710	3.8
197.13193	3.9
199.11232	1.4
199.14810	4.3
201.16396	1.8
209.11671	4.1
211.13242	3.0
211.15010	2.0
213.16513	1.2
219.49686	1.3
227.12767	18.7
245.13503	1.7
259.20511	5.5
261.22153	8.2
267.15866	2.4
271.20444	1.5
273.22110	2.3
277.21597	3.1
283.15405	11.5
283.20419	1.8
285.17178	1.9
297.22116	1.6
299.23621	13.1
301.21616	3.8
315.23193	3.6
317.24777	8.0
333.24179	4.2
335.25803	10.4
357.24478	1.8
405.31110	1.6
423.32510	1.8
433.30930	7.2
451.32053	12.6
469.33145	10.6
481.59686	1.3
487.33820	8.1
515.37427	3.3
517.35095	2.1
525.35681	22.0
543.36737	100.0
544.37073	5.0
561.37726	53.4
562.38184	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	561.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05498	2.6
57.03431	0.8
57.07058	1.5
58.11883	0.4
59.04983	0.7
61.50926	0.4
64.81229	0.4
65.03916	1.2
67.05502	3.6
69.03420	13.8
69.07056	7.2
70.06580	3.8
71.04987	1.1
71.71286	0.6
71.71626	0.5
77.03893	0.4
79.05482	5.3
81.03400	1.3
81.07040	5.0
82.31605	0.4
83.04979	2.7
83.08620	2.2
85.02893	3.6
85.06525	0.9
86.09669	0.4
91.05463	11.7
93.07022	6.9
95.04958	1.7
95.08591	5.0
97.02853	1.6
97.06515	1.4
99.04440	1.0
103.05476	1.0
103.47993	0.4
105.07012	15.7
106.84285	0.5
107.04949	1.1
107.08578	14.2
109.02842	0.8
109.06478	3.2
109.10133	2.4
111.04425	0.5
111.08073	1.1
115.05435	1.7
116.06187	1.3
116.07038	0.9
117.07005	5.0
119.04863	0.5
119.08566	20.8
121.02821	1.1
121.06477	1.8
121.10119	13.1
123.04387	1.0
123.08033	2.7
123.11664	1.7
125.09560	2.1
127.03928	2.3
128.06210	1.4
129.06998	4.8
130.07759	1.5
131.08545	22.1
133.06476	0.5
133.10109	15.6
135.04451	0.8
135.08023	10.0
135.11685	2.9
136.07545	1.7
137.09564	1.1
143.08549	10.5
143.26025	0.4
144.09326	3.4
145.04982	0.6
145.06427	0.6
145.10101	12.8
147.04346	1.4
147.11661	7.2
149.09656	3.9
149.13229	8.5
151.11156	0.6
153.09122	0.9
156.09235	1.0
157.10112	0.9
158.10892	12.0
161.09584	0.6
163.11142	0.9
163.14821	2.3
165.12740	0.9
167.10690	0.7
167.14265	1.3
171.11635	1.1
173.13235	41.4
174.13690	0.7
175.11189	0.5
175.14799	12.8
177.05504	0.6
188.06825	0.5
191.14282	100.0
192.14676	1.2
195.02875	0.7
209.15346	6.3
213.12332	3.3
231.02837	1.8
257.04544	0.5
335.18884	0.6
341.12729	0.6
353.19516	1.1
363.07333	0.6
371.20346	0.6
381.27747	0.6
429.11807	0.5
447.11218	0.7
543.33081	0.9
561.19843	0.6
561.34088	2.2
567.12671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
55.05505	3.6
57.01863	0.8
57.03405	1.2
57.06833	0.8
57.07066	8.8
65.03912	1.0
67.05498	9.1
69.07056	3.5
71.08611	4.4
71.81447	0.7
79.05489	4.1
81.03397	1.8
81.07043	6.5
83.04958	1.8
83.08595	3.3
85.10152	2.8
91.05450	2.8
93.07023	4.6
95.04942	2.8
95.08589	6.4
97.10147	1.6
103.05454	5.8
105.03379	1.1
105.07001	2.9
107.04926	0.8
107.08567	2.5
107.42310	0.7
109.06464	1.0
109.10130	3.8
111.04411	2.2
115.05397	0.8
117.06963	1.6
119.08569	1.9
120.27273	0.7
121.02776	0.7
121.10109	1.5
123.11694	1.0
131.04909	14.8
131.08522	2.0
133.10129	1.7
135.11639	0.9
139.03911	0.8
145.10109	1.8
147.11664	1.4
149.05948	4.6
157.10057	1.1
159.04391	44.3
159.11658	1.4
161.05949	1.8
163.03793	1.7
173.05911	1.3
177.05453	9.7
183.17390	2.4
187.03879	44.7
188.04315	0.8
189.05379	4.8
191.07104	1.0
192.60754	0.7
197.05919	1.0
200.04704	0.9
205.04926	100.0
206.05382	1.2
219.06558	0.8
259.20370	1.0
275.19794	1.0
277.21527	1.1
314.83875	0.9
328.56192	1.0
331.18930	1.9
341.20822	0.9
359.22128	1.3
364.87265	0.8
369.20590	2.2
543.20313	0.7
543.28503	0.9
543.36078	3.5
561.37750	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	561.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.01859	1.6
55.05506	7.1
57.03433	0.7
57.07071	20.2
61.98053	0.6
63.63480	0.6
65.03928	1.2
67.05177	1.1
67.05499	13.0
69.03412	1.1
69.06794	0.5
69.07063	6.3
70.06579	2.9
71.04972	1.1
71.08623	12.6
71.81097	1.1
79.05484	4.0
80.17003	0.5
81.03403	1.4
81.06595	0.8
81.07047	11.7
83.04966	4.0
83.08612	5.4
85.02888	0.7
85.10175	6.1
86.06051	0.8
91.05457	3.8
91.67733	0.6
93.03413	0.8
93.07030	3.4
95.04950	4.9
95.08591	13.1
97.06499	1.2
97.10129	1.3
103.05450	4.2
105.03334	0.8
105.06998	2.1
105.28372	0.5
107.04962	1.1
107.08561	2.6
109.10154	8.1
111.04459	3.6
115.05413	1.2
117.03338	0.7
117.06998	1.4
119.08578	1.8
121.02855	1.3
121.06419	0.7
121.10094	1.4
121.53039	0.6
123.11684	2.0
128.06261	0.8
129.06985	1.1
131.04909	29.2
131.08505	1.3
133.10110	2.1
135.11644	1.0
139.03873	2.8
143.04843	1.0
144.02060	0.7
145.06467	1.1
145.10127	1.3
147.07999	0.8
147.11581	0.7
149.05956	1.2
155.04843	0.8
155.08388	0.7
157.06442	1.4
159.04401	44.7
159.11676	0.8
160.05096	0.6
161.05965	2.3
163.03883	15.2
165.16347	1.0
167.08234	2.5
169.06569	1.0
171.08026	1.1
173.05980	2.4
175.07536	2.8
177.05450	46.6
178.05902	0.9
183.08018	1.4
183.17401	5.8
185.05986	1.2
187.03857	25.5
187.07458	1.4
188.04402	1.0
189.05411	2.7
195.07846	0.8
196.05096	0.6
197.05978	1.6
199.07527	2.3
200.04691	1.7
201.01680	0.6
201.05434	8.3
203.03368	0.7
203.07028	2.7
204.04172	0.8
205.04930	16.8
205.41696	0.6
210.06723	0.7
211.07469	3.5
213.05478	2.4
214.02605	1.0
214.06158	1.0
215.03377	5.5
215.06917	4.5
216.04108	1.4
217.04936	4.0
217.08177	1.1
219.06488	9.7
225.09073	0.6
227.03403	0.7
227.06966	1.7
228.04124	1.5
229.04955	10.0
229.08521	0.7
230.05719	5.9
231.02884	4.4
231.06415	2.4
233.04436	6.5
239.07010	2.1
241.04805	1.3
243.02815	1.2
243.06479	11.6
245.04378	1.6
247.06027	5.7
253.08414	0.8
255.06439	1.0
256.03589	1.7
257.04401	2.3
259.02414	2.3
261.03949	3.6
271.06003	5.3
274.04651	2.3
275.20087	1.8
293.21063	1.0
295.09644	0.9
308.13464	0.7
317.21024	2.0
323.16464	0.9
341.17404	8.3
351.15704	0.9
369.16910	100.0
370.17160	5.4
387.17752	6.3
387.21646	29.3
388.22452	0.7
415.27875	1.0
435.09103	0.7
463.30835	1.2
469.33603	0.8
525.35388	1.1
543.21936	1.5
543.37061	4.5
561.23285	13.3
561.37067	3.6
562.23230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49945	0.5
52.93540	0.5
53.23714	0.4
55.01853	1.3
55.05503	5.1
57.03415	0.8
57.07063	4.5
57.64944	0.5
65.03916	2.8
65.72722	0.5
67.05489	9.9
68.99770	1.0
69.03394	1.6
69.07053	4.3
70.06550	2.1
71.05003	0.6
71.08612	3.2
71.78875	0.8
79.05470	4.0
80.90005	0.5
81.03387	1.0
81.07031	5.4
83.04961	10.4
83.08580	1.7
84.76987	0.5
85.02873	2.0
85.06493	0.6
89.08707	0.6
91.05449	3.1
93.03384	2.8
93.07032	4.4
95.04943	2.7
95.08563	3.4
97.06454	1.3
103.05424	1.3
105.07023	3.0
107.04926	0.8
107.08555	2.3
109.06526	0.6
109.10128	1.8
111.04418	6.4
115.05418	1.2
117.06977	1.8
119.08549	1.8
121.02854	0.8
121.10113	1.4
128.06200	0.6
129.05440	1.7
129.06960	1.4
131.04881	0.8
131.08517	1.8
133.10088	1.8
135.11673	1.1
139.03864	1.7
141.06915	0.9
143.04901	0.7
143.08539	1.2
145.06468	1.2
145.10045	1.4
146.03638	0.6
147.11668	1.2
149.09605	0.6
149.13197	0.9
153.06891	0.7
155.08495	0.6
158.24968	0.6
159.04427	1.3
160.05171	1.4
161.05959	1.3
163.03824	0.6
165.06976	0.6
167.08170	1.4
171.04442	0.7
171.08104	1.0
173.05949	2.8
175.07541	5.5
177.05428	1.0
181.06490	0.7
183.08006	0.9
183.11563	0.6
184.05128	0.7
185.05959	1.1
186.06369	0.5
187.03854	2.2
187.07489	1.4
188.04675	1.3
189.05402	1.9
192.04166	0.7
195.07986	0.7
197.05936	1.3
199.03845	1.0
199.07463	2.2
200.04619	1.7
201.01857	0.9
201.05455	5.7
202.02499	0.6
203.03224	0.9
203.06978	3.5
204.04128	1.1
205.04910	5.4
211.07559	2.7
213.05385	1.5
214.02582	1.1
215.03377	4.1
215.06920	4.3
216.04115	1.6
217.04904	5.4
219.06476	17.0
220.03700	0.7
221.65382	0.6
225.05505	0.6
227.03574	0.6
227.06961	2.6
228.04187	1.6
229.04897	10.5
230.05702	5.8
231.02852	1.5
231.06442	4.3
233.04340	6.9
239.06911	0.9
241.04893	0.6
242.05763	0.9
243.02779	1.8
243.06456	7.9
245.04306	1.1
247.05956	12.8
249.09055	0.6
251.07091	0.6
253.08641	0.9
255.06535	1.3
256.03604	1.9
256.07294	0.6
257.04413	2.3
257.08023	0.9
258.05112	1.2
259.02277	3.6
261.03879	6.3
271.05942	12.2
272.06363	1.0
274.04657	4.3
275.05505	0.8
275.19965	1.3
295.09668	0.9
313.17838	0.6
323.16516	0.6
325.17868	1.0
331.18942	1.2
341.17380	6.7
342.18155	1.0
349.23495	0.7
351.15866	2.1
355.15887	0.5
359.18124	0.6
369.16882	100.0
370.17249	6.2
375.96652	0.6
377.23846	0.6
387.17938	26.7
388.18454	1.3
414.27509	0.6
435.09061	1.0
451.31976	0.8
463.30658	0.7
515.22498	1.4
525.35083	0.6
538.14020	0.8
543.21887	2.5
543.36383	3.6
561.23328	17.0
561.36890	3.0
562.23608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.8
53.56292	0.4
55.01828	0.9
55.05445	3.7
57.03387	0.7
57.07009	9.2
65.03893	1.0
67.05492	8.7
68.99738	0.6
69.03384	0.9
69.06994	3.7
70.06517	2.0
71.04945	0.5
71.08621	5.2
71.81210	0.7
79.05475	2.7
81.03356	1.3
81.07044	6.7
83.04979	3.2
83.08623	2.1
85.02831	1.1
85.10158	2.4
91.05450	2.0
93.03339	0.7
93.07037	2.6
95.04955	3.2
95.08598	6.5
97.02794	0.5
97.06470	0.5
97.10154	0.8
98.83333	0.4
103.05457	2.8
105.03304	0.5
105.07046	1.9
107.04893	0.5
107.08602	2.1
108.08873	0.5
108.13379	0.4
109.06431	0.6
109.10133	3.9
111.04449	2.9
111.08072	0.4
115.05358	1.5
116.91223	0.4
117.06935	1.0
119.08495	1.7
119.97154	0.4
121.02769	0.8
121.10059	1.3
123.11661	0.8
128.06140	0.7
129.05421	0.5
129.06917	1.2
131.04912	12.4
131.08472	1.1
133.10081	1.0
135.11632	0.6
139.03847	2.3
141.06885	0.8
143.04849	0.9
145.06482	0.9
147.11633	0.9
149.05865	0.5
149.09618	0.6
149.13150	0.5
155.08470	0.8
157.06400	0.7
159.04393	19.0
159.07980	0.7
159.11624	0.7
160.05042	0.4
161.05894	1.2
163.03886	5.5
165.06940	0.7
167.08165	1.3
169.06384	0.8
171.04385	0.4
171.08022	1.0
173.05959	2.4
175.07524	3.6
177.05452	19.2
181.06493	0.5
183.04335	0.8
183.07991	1.2
183.17451	2.0
184.05118	0.9
185.05893	0.9
186.03058	0.4
187.03854	13.0
187.07500	1.6
188.04611	0.8
189.05376	1.4
195.13565	0.5
197.05890	1.5
198.06665	0.6
199.03726	0.7
199.07451	1.8
200.04672	1.7
200.07010	0.7
201.05438	6.4
203.06970	3.0
204.04135	0.5
205.04932	8.9
211.07571	2.2
212.04620	0.9
213.05397	1.6
214.02477	1.1
214.06068	0.8
215.03380	5.5
215.06918	4.4
216.04080	1.4
217.04930	4.4
217.08125	0.5
219.06493	8.8
224.08156	0.5
225.05469	0.8
225.09039	1.1
227.03220	0.8
227.06871	2.0
228.04141	1.7
229.04933	10.5
229.08366	0.7
229.40457	0.4
230.05693	7.7
231.02904	3.8
231.06435	3.0
232.03404	0.5
233.04416	7.7
239.06876	0.9
241.04797	0.9
242.05695	1.3
243.02812	0.9
243.06494	10.3
245.04391	1.5
246.05045	0.8
247.06006	6.3
249.09076	0.8
253.04919	0.5
253.08553	1.3
255.06345	1.0
256.03577	2.0
256.07159	0.5
257.04364	1.5
258.05072	0.6
259.02267	1.7
261.03845	3.6
267.10077	0.5
267.15848	0.6
267.54660	0.4
270.08752	0.4
271.05975	7.0
272.06369	0.4
274.04694	2.1
275.05292	0.5
275.20032	1.2
295.09732	0.9
295.16882	0.5
305.15387	0.4
317.21170	0.9
323.16321	0.9
341.17432	8.2
351.15842	1.7
369.16916	100.0
370.17236	3.2
387.17792	8.2
387.21756	8.7
421.11304	0.6
435.09253	0.6
463.30511	1.3
515.22809	0.7
543.22089	1.9
543.35925	2.0
561.23297	12.8
561.36444	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.4
51.02372	0.7
53.03936	1.5
57.07068	0.9
57.79736	0.2
59.99924	0.2
67.05488	0.6
69.07057	0.5
69.58268	1.8
71.08621	0.8
77.03926	0.6
79.05479	10.0
81.03400	0.4
81.07049	1.0
87.04485	0.3
91.05480	0.5
93.07040	0.5
95.04949	3.7
95.08590	0.8
95.23093	0.2
103.05449	8.4
105.07011	100.0
106.07324	1.6
109.10067	0.3
125.93667	0.2
131.08653	0.3
146.09569	0.3
188.10732	0.3
233.88072	0.3
250.12309	0.2
250.16058	0.2
264.13782	0.2
272.20242	0.2
275.34424	0.2
276.19641	0.5
286.21591	0.3
292.16855	0.4
300.19589	0.7
312.08835	0.3
320.22131	2.8
337.73471	0.3
362.31381	0.3
390.27283	0.5
404.25696	3.0
406.30869	1.0
406.36255	0.4
430.31052	0.3
456.38242	1.2
492.38150	1.2
499.45090	2.6
525.40155	0.4
560.44275	80.4
561.37170	0.5
561.44818	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	559.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	10.6
55.05500	28.8
57.03426	13.9
57.07066	7.3
62.41797	3.3
64.67194	3.0
65.03922	5.7
67.05493	97.9
67.11841	2.7
69.07057	24.6
70.15752	9.8
70.16167	4.1
71.04974	4.4
71.08604	7.9
74.09702	3.4
79.05479	100.0
81.03398	10.3
81.06592	5.3
81.07038	73.2
83.04971	14.5
83.08603	13.7
85.06518	5.2
91.04909	4.1
91.05465	63.9
93.07029	92.0
93.45437	3.0
95.04961	23.2
95.08591	63.0
95.18896	2.7
97.06494	7.8
97.10168	5.0
105.04466	3.4
105.07006	47.8
107.04945	8.2
107.08574	37.4
109.06519	6.6
109.10155	20.8
117.06979	12.6
119.08548	34.3
121.06496	6.4
121.10116	22.6
123.08019	4.5
123.11692	4.4
129.06985	17.4
131.08574	13.7
133.10097	21.0
135.11656	11.3
135.85680	2.9
138.64157	2.7
143.08537	11.4
145.10069	18.2
147.11647	31.8
149.13240	9.2
151.11230	2.7
159.11787	6.3
161.13202	8.9
171.11684	24.3
173.13216	6.7
179.14244	5.9
187.14767	5.6
189.12766	7.7
207.13789	17.5
220.64992	3.1
235.16754	3.2
252.12122	3.2
259.62137	3.2
261.22064	10.1
263.16348	5.2
277.21594	4.0
281.17471	36.3
335.25735	73.6
361.30942	86.4
389.30371	37.3
541.38824	88.6
542.38898	2.8
559.23230	16.0
559.37219	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	559.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	12.3
55.01863	2.4
55.05503	28.4
57.03431	11.2
57.07061	3.7
57.93514	1.4
58.53820	1.7
65.03922	2.8
67.05493	86.0
69.07050	21.5
69.64346	3.7
69.64758	13.8
71.05005	2.0
77.03923	2.3
79.05480	90.5
81.03404	10.1
81.07040	76.2
81.07527	3.5
83.04961	13.4
83.08594	11.8
85.06512	2.9
91.05467	69.4
93.07027	100.0
94.77988	1.7
95.04952	22.8
95.08589	51.8
97.06515	5.7
97.10163	5.4
105.07011	53.2
107.04942	5.6
107.08575	32.4
107.31520	1.9
109.06523	8.1
109.10143	17.4
111.08061	3.4
117.06986	12.4
119.08553	28.3
121.06465	2.9
121.10134	19.5
123.08035	6.9
123.11623	3.9
127.07603	2.0
128.06201	2.1
129.06985	17.2
131.08551	11.7
133.10083	16.7
135.08047	1.8
135.11632	11.3
137.13202	2.7
143.08559	12.5
145.10112	16.7
147.08026	3.2
147.11653	42.7
149.13223	6.2
159.11678	6.8
161.09526	4.2
161.13252	14.6
169.10110	3.5
171.11658	32.7
173.13229	3.1
177.12849	2.0
187.14983	1.7
189.12730	11.3
205.01530	1.7
207.13757	35.2
225.14841	2.6
243.21054	3.9
261.22141	8.6
279.15784	3.3
281.17438	60.9
317.24786	3.6
335.25769	65.9
361.30881	14.2
376.86957	1.7
389.30392	5.6
449.33966	2.7
467.35257	2.6
485.36023	2.8
510.60446	1.9
541.38794	86.7
542.38977	4.1
559.39355	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01851	1.9
55.05502	11.3
57.03423	2.5
57.07053	3.3
58.08886	0.7
59.04969	1.9
59.11071	0.6
61.67942	0.6
62.46836	0.9
65.03915	1.3
67.05496	23.1
69.07056	8.8
71.00431	0.6
71.04977	8.8
71.08604	3.1
71.81778	0.7
71.82198	1.3
73.06579	0.8
79.05479	18.7
81.03392	2.9
81.07040	25.4
83.04966	3.4
83.08600	4.7
83.54710	0.8
85.06525	2.5
85.10147	1.5
87.04449	6.4
91.05460	19.8
93.07024	22.6
95.04949	4.6
95.08591	18.2
96.04456	1.3
97.06503	3.7
97.10159	4.2
99.08070	0.8
103.05453	1.0
105.06310	1.2
105.07008	18.9
107.04943	1.2
107.08578	10.0
109.06483	1.7
109.10138	6.4
111.08079	1.3
117.07008	7.1
119.08546	15.4
121.06492	2.0
121.10123	9.0
123.08012	1.4
123.11692	2.0
125.09606	2.7
128.06186	2.1
129.06975	6.5
130.07770	1.0
131.07640	0.9
131.08549	14.6
133.10124	9.4
135.08049	1.6
135.11655	3.2
137.09618	0.8
137.13269	0.8
139.11124	1.3
141.06949	1.7
142.07777	1.6
143.08539	6.6
145.06416	0.9
145.10089	11.0
147.08006	1.3
147.11661	6.5
149.09557	3.3
149.13214	1.7
151.11176	0.8
153.07063	0.8
155.08521	4.2
157.10103	7.2
159.11668	7.8
161.09619	1.6
161.13261	3.4
163.11116	0.9
167.08574	1.1
169.10138	3.3
171.11687	4.4
173.09572	1.3
173.11890	1.0
173.13251	3.7
175.11111	1.1
175.14798	1.5
177.12712	1.6
181.10103	2.1
183.11671	4.1
185.13237	3.2
187.11063	1.1
187.14772	1.8
193.12215	1.8
195.11665	1.6
195.13756	1.1
197.13260	2.6
199.13248	1.6
199.14854	2.4
208.24879	0.7
209.13196	2.0
211.13107	1.1
211.14932	1.4
221.08325	1.4
221.13268	0.9
221.15387	0.7
223.14653	0.9
225.14687	1.4
225.16585	1.0
233.08293	0.8
249.07794	11.1
250.08353	0.8
251.05850	1.0
260.06982	1.8
261.07642	1.3
264.10284	1.0
266.07956	1.4
272.07028	0.9
275.20029	1.1
277.07291	55.1
278.07645	5.2
285.22162	1.1
287.05765	2.0
287.23645	1.4
288.06470	13.6
289.07263	12.5
289.21573	2.0
290.08087	1.4
291.08682	0.8
292.09622	41.2
293.09973	3.0
298.18906	0.8
299.23645	0.8
300.08951	1.9
301.07309	2.6
302.08044	1.2
303.23291	1.0
304.09473	1.5
311.23206	0.8
313.07266	0.9
315.23227	1.1
316.09637	2.2
317.09247	2.0
317.24860	1.4
318.07648	0.8
323.23752	0.8
327.11322	0.8
327.22662	0.8
331.10825	3.9
344.09055	1.7
355.10718	2.1
361.30936	12.6
372.11008	2.7
373.11734	2.5
387.13385	7.1
389.22839	0.8
389.30429	3.5
390.11951	6.9
405.14383	100.0
406.14755	9.3
417.31448	2.1
435.32687	6.7
446.23117	5.7
453.33386	4.2
456.21750	0.8
467.35324	1.0
471.34631	2.9
485.36194	1.6
509.36108	4.8
527.37177	23.3
528.37366	0.9
541.34772	0.8
559.27863	40.2
559.39709	48.4
560.28418	4.7
560.40265	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14032	0.9
50.40456	1.0
53.00286	1.3
53.03937	3.3
55.01863	5.0
55.05501	21.3
57.03426	4.9
57.07056	2.8
65.03925	2.5
67.05495	42.2
69.03416	4.2
69.07058	12.8
71.04973	3.6
71.08611	1.6
73.02921	1.2
77.10323	0.9
79.05015	1.5
79.05479	34.8
81.03407	4.3
81.07043	36.9
83.04978	4.5
83.08604	14.4
85.02889	2.7
85.06522	2.0
87.43860	1.0
89.53580	0.9
91.04903	1.9
91.05463	29.5
93.07027	37.4
95.04944	7.3
95.08594	27.6
97.02900	4.1
97.06511	4.6
97.10146	12.5
98.98405	1.0
99.00819	5.2
99.04459	1.6
99.08110	1.9
105.07014	26.4
107.04946	5.0
107.07893	1.8
107.08580	25.6
109.02836	5.1
109.06496	3.0
109.10132	14.1
111.04420	2.5
111.08049	3.1
115.05431	1.6
117.06995	11.6
119.08563	15.2
121.06519	3.0
121.10122	14.3
123.08050	2.3
123.11668	3.7
125.09612	9.5
127.03918	2.4
128.06183	1.8
129.06970	6.4
131.08553	11.5
133.06413	1.8
133.10110	26.6
135.08046	3.7
135.11678	13.4
137.09564	1.6
141.06956	2.3
142.07777	1.1
143.08546	10.2
143.24287	1.0
145.06485	1.6
145.10107	13.3
147.08037	2.2
147.11688	7.4
149.09570	1.8
149.13229	5.1
151.11179	3.4
153.09073	1.3
155.08557	1.6
157.10139	6.0
158.10788	1.1
159.08018	2.5
159.11641	7.5
161.05934	1.2
161.09601	8.6
161.13268	5.7
163.11176	3.6
163.14850	2.3
165.12733	1.3
167.08586	1.4
169.10095	5.5
171.08060	3.1
171.11623	6.3
173.09602	1.7
173.13219	6.3
175.11105	1.2
175.14699	2.3
179.10695	3.7
179.14313	1.1
181.10124	1.6
181.12151	1.2
183.06482	1.2
183.07953	1.2
183.11711	3.7
185.13245	4.6
187.11198	2.3
187.14827	3.8
189.09117	3.8
189.11203	5.1
193.10155	1.2
195.11714	1.6
197.13243	1.6
199.11162	1.7
199.14793	2.0
201.12741	1.8
201.16595	1.2
205.15732	1.1
207.09943	1.2
209.13306	1.3
211.14667	1.2
221.13409	1.3
225.11139	6.9
227.12779	5.2
229.80376	1.6
243.21056	1.6
259.20630	2.4
261.22141	7.1
265.19604	1.1
273.18533	2.5
275.20163	1.7
277.21780	5.0
277.94873	1.2
279.20950	1.2
281.13803	5.5
283.15421	1.3
287.23633	5.4
291.19568	6.2
297.22324	2.0
299.14862	1.1
299.20117	1.9
313.21579	2.7
315.23120	11.4
317.24988	1.1
333.24399	1.8
335.25787	1.4
341.24927	1.2
361.30984	1.8
403.29807	1.4
421.31027	4.2
431.29575	2.4
439.32001	4.3
449.30637	6.6
457.33026	3.1
467.31534	16.0
485.32556	10.5
513.35602	11.6
515.37366	2.8
523.34448	2.9
531.36658	14.3
541.35168	44.9
542.35565	1.3
559.36206	100.0
560.36554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.1
55.01863	10.0
55.05500	38.5
57.02011	1.5
57.03423	7.9
57.07059	3.2
60.05256	1.3
65.03911	1.6
67.05491	42.8
69.03411	3.0
69.07058	15.7
71.04964	4.7
79.05477	37.2
81.03390	10.8
81.07041	38.7
83.01305	2.1
83.04969	9.9
83.08603	21.1
85.02875	2.2
85.06514	2.4
91.05466	36.6
93.07023	33.2
95.04961	7.9
95.08584	20.8
97.02838	3.2
97.06490	4.1
97.10149	30.1
98.20700	2.9
99.08052	1.6
103.05397	2.4
105.04489	1.4
105.07012	37.9
107.04922	6.0
107.08573	26.4
109.06491	4.6
109.10139	12.4
111.04449	2.4
111.08065	3.1
111.47208	1.2
115.05394	1.7
117.06999	23.8
119.04951	1.7
119.08559	31.4
121.06494	3.7
121.10117	10.9
123.08055	5.3
123.11691	3.2
123.12663	1.1
124.13152	1.3
125.09611	21.2
128.06221	5.1
129.06973	16.6
130.07739	3.5
131.08540	26.9
133.06470	1.9
133.10107	18.2
135.08008	7.8
135.11652	9.7
137.09583	1.9
141.06941	4.8
142.07726	2.9
143.08542	19.9
144.09315	1.6
145.06441	2.2
145.10092	26.3
147.08023	3.4
147.11659	17.3
149.09557	2.2
149.13269	3.0
153.09094	2.6
153.12732	3.3
154.48476	1.2
155.08548	9.9
156.09334	2.4
157.10086	15.1
159.08000	2.1
159.11659	15.9
161.09584	2.5
161.13217	9.6
163.11139	9.8
167.08498	3.6
169.10130	7.4
170.10825	1.4
171.08026	3.0
171.10272	2.7
171.11641	14.0
173.09592	4.5
173.13231	13.3
175.11203	2.4
175.14818	4.1
179.08517	2.0
181.10086	5.2
181.12140	1.4
183.08191	1.2
183.11655	8.5
185.09601	2.2
185.13199	11.5
187.14813	4.4
189.11186	11.5
189.12654	2.2
193.10129	2.4
195.11647	5.2
197.09727	1.6
197.13248	7.4
199.11127	2.5
199.14738	9.1
201.12796	1.7
207.11676	3.4
209.11523	2.7
209.13257	4.2
211.14825	3.1
213.16238	2.8
223.14847	3.1
227.12704	26.0
227.14714	2.1
241.19461	6.6
245.13814	1.6
251.18039	1.6
257.19037	3.0
259.20526	17.1
271.20593	2.6
275.20029	5.6
277.21771	1.8
279.21118	2.4
283.15259	17.1
285.21948	2.0
295.20477	1.9
297.22116	13.7
313.21710	3.2
315.23102	12.9
325.21265	1.9
333.24231	7.1
341.20844	1.4
349.17612	1.5
349.22629	1.3
353.24542	1.4
355.22903	2.6
381.60608	1.5
403.29767	2.3
421.30899	3.9
431.29376	6.9
439.31860	2.8
449.30585	13.6
459.26923	1.5
467.31363	12.9
485.32468	13.6
505.33054	1.8
513.35828	6.0
515.33826	2.1
523.34076	11.3
531.36530	2.7
541.35168	100.0
559.36139	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06326	0.6
57.07051	2.8
67.05485	1.5
69.07059	1.2
70.84766	1.5
71.08628	3.5
79.05474	1.0
81.07040	3.0
83.69209	0.6
85.10186	1.4
91.05458	1.2
93.07021	0.7
95.08569	2.2
99.45759	0.6
103.05451	0.9
108.04424	0.7
115.05408	0.7
117.06935	1.1
118.06525	10.2
128.89313	0.6
130.06509	100.0
131.06837	2.0
138.05510	1.0
142.06508	1.8
143.07292	1.7
144.08070	5.6
145.08424	0.6
146.05983	23.4
168.08051	1.5
169.07623	2.7
170.06000	10.5
188.07042	19.9
206.08403	2.0
207.09129	0.7
215.08195	1.6
219.09157	2.6
220.09877	1.1
221.07162	1.2
221.10796	0.9
223.08583	1.5
231.09117	1.0
233.10678	3.6
235.08716	1.4
247.08682	3.0
248.09465	2.4
249.10234	1.4
251.08203	2.1
252.08678	0.7
253.91800	0.6
259.08661	1.0
261.10211	5.9
262.10883	1.2
263.11856	2.9
264.15973	1.2
274.72159	0.7
275.08051	1.6
277.09686	0.8
279.07785	0.7
279.11276	1.6
281.09235	0.8
292.08456	1.0
293.09274	2.6
295.10886	0.7
297.08685	1.3
297.12103	0.8
305.09048	3.8
307.10666	6.7
321.08652	9.2
323.10068	1.6
325.11868	1.7
333.08640	14.0
339.09860	4.0
351.09680	15.0
369.10776	1.4
372.20291	0.7
387.11899	2.2
405.21695	2.4
412.19553	1.4
423.22675	3.8
441.23669	0.7
451.22119	5.8
461.24118	2.9
468.23782	1.9
475.22269	1.5
479.25089	2.1
497.26270	1.4
505.23026	2.7
523.24329	2.0
541.25641	4.4
559.26483	27.8
560.26764	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39183	1.6
52.30005	1.3
53.03920	3.6
55.01855	2.5
55.05504	14.9
57.03427	18.4
57.07067	38.4
59.04973	1.8
65.03917	2.1
67.05125	1.7
67.05495	27.4
69.03401	3.1
69.07060	12.6
71.04969	4.7
71.08627	30.7
71.82887	1.5
79.05487	20.4
81.03407	49.9
81.07047	32.5
83.04967	14.4
83.08607	27.8
85.02892	20.5
85.06501	2.0
85.10181	14.0
87.04453	2.2
89.06007	5.3
91.05471	26.0
93.07043	15.7
95.04955	22.3
95.08595	27.4
97.02821	2.6
97.06512	4.0
97.10146	5.2
105.07018	18.2
107.04919	5.1
107.08563	5.4
108.66726	1.5
109.06499	2.2
109.10129	10.5
111.04446	3.2
111.08051	8.0
119.08566	16.0
121.10146	7.0
123.08033	3.6
123.11726	3.4
129.06984	8.4
131.08572	9.0
133.06461	2.6
133.08604	1.8
133.10083	10.1
142.07672	2.4
147.08061	2.3
147.11646	11.6
149.09589	4.6
157.10072	13.4
165.12720	2.1
175.11130	16.1
193.12216	42.4
211.11218	3.4
211.13272	69.1
239.23679	3.4
251.70961	1.8
256.26352	2.0
267.15918	16.8
285.16946	71.6
313.27316	100.0
314.27777	2.0
329.92490	1.6
505.38718	16.6
523.39917	86.2
524.40143	2.2
558.42682	2.6
558.53113	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	559.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73559	0.5
70.44181	1.1
70.44584	0.9
90.04488	0.4
91.05490	0.6
115.05463	0.7
117.05769	0.9
117.06994	1.1
118.06524	16.0
130.06509	1.7
132.08069	5.7
135.04398	0.7
142.06519	1.6
143.07289	2.4
144.04434	0.6
144.08072	11.9
146.05988	59.5
147.06302	0.8
159.09166	5.3
160.07501	1.0
163.03896	2.9
170.05977	4.4
188.07042	100.0
189.07370	1.8
205.09702	44.3
206.10126	0.6
266.21561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.8
57.07053	6.5
57.71127	3.7
67.05505	21.8
69.03420	28.0
69.07045	11.4
69.84229	18.3
69.84651	8.6
71.08589	7.6
76.93977	3.7
79.05473	10.5
81.07050	21.4
83.04947	4.9
83.08582	5.7
87.04449	5.7
91.05438	6.4
93.07012	11.3
95.04948	24.4
95.08608	25.6
97.06497	6.1
98.21400	8.4
99.08043	3.9
105.06990	15.3
107.08566	18.7
109.10121	23.5
119.08557	18.5
121.10117	16.7
123.08039	8.3
123.11644	9.8
125.09593	4.2
131.08582	9.2
133.10092	13.3
135.11606	5.5
143.08549	5.2
145.10089	16.3
147.11678	12.2
149.13190	6.3
151.11179	4.2
157.10078	9.0
159.11690	14.9
161.13240	22.8
169.10071	5.4
171.11679	6.2
173.13231	8.3
177.12749	5.3
183.11626	6.1
185.13284	10.8
187.14690	9.1
189.16312	6.8
195.11531	5.4
197.13199	6.5
199.14859	8.3
201.12796	4.1
201.16380	5.6
206.51631	4.3
211.14806	10.6
213.16431	5.7
213.31798	4.5
225.16299	7.7
227.17761	6.4
237.16127	5.3
245.19057	19.4
249.71555	3.8
251.84290	3.9
255.17419	4.5
256.26196	4.5
257.19067	5.3
259.20474	4.4
271.20581	5.0
284.19806	4.7
295.20657	4.9
295.23956	5.5
311.23553	14.2
313.25174	41.7
337.25034	8.8
339.26678	4.9
363.26770	17.1
381.27847	100.0
383.29102	6.5
398.33936	6.7
417.31302	4.2
435.32263	8.3
453.33426	22.2
484.37616	5.9
498.39322	13.0
511.75717	4.4
558.41718	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.4
57.03427	0.3
57.07057	0.8
62.17284	0.3
67.05488	1.0
69.07033	0.6
71.00505	0.7
71.00866	0.5
71.04990	0.3
72.08138	1.1
74.06068	1.8
74.09704	100.0
79.05455	0.9
81.07053	0.9
91.05463	1.1
93.07037	0.5
95.08590	0.8
100.67184	0.3
105.06988	0.6
120.58900	0.3
130.44753	0.3
133.10103	3.2
143.31862	0.3
149.09584	0.8
184.17201	0.3
189.11258	0.9
240.26434	0.3
294.19083	0.3
448.33228	0.4
525.69952	0.3
540.37573	0.4
551.65747	0.4
558.38446	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.1
56.06439	1.6
57.03423	1.8
60.74170	1.5
67.05511	2.0
69.03426	11.4
70.06564	3.5
70.97421	4.9
71.04980	1.9
79.05477	3.6
81.03408	9.4
81.07000	1.7
85.02892	21.3
91.05460	9.9
95.04937	3.6
97.02878	8.2
99.04424	3.4
103.03914	1.7
103.05444	13.1
105.03365	6.1
105.07023	11.4
107.04928	27.8
107.08579	2.1
109.02853	4.6
109.06534	2.6
111.04420	2.3
115.05446	2.9
117.06982	2.3
119.04906	10.0
119.08549	2.4
121.06466	7.8
122.03631	4.7
127.03876	10.4
129.06984	5.2
131.04903	13.9
133.02831	13.9
133.06468	18.4
135.04420	3.1
135.08037	9.4
137.05949	100.0
139.03903	2.8
145.04915	5.4
145.06473	2.5
146.07254	2.6
147.04369	17.1
147.08047	2.1
149.05946	18.1
150.06729	5.0
151.03876	2.1
151.07527	29.1
157.06483	4.4
157.07605	2.8
159.04355	1.7
161.05952	71.8
161.09579	13.9
162.06715	4.8
163.07510	53.3
165.05428	4.6
165.09033	8.6
167.06989	4.8
173.13335	2.7
174.06711	3.1
175.07512	11.2
177.05467	6.9
177.08952	4.1
179.06993	23.0
179.08415	2.3
181.08563	14.6
187.07634	3.6
189.05450	1.8
189.09074	46.4
191.06938	8.4
191.14291	2.4
192.14632	2.6
193.06580	1.8
193.08389	1.6
195.08076	3.5
195.10043	2.8
199.07591	2.3
201.09085	3.8
203.07027	5.0
205.08461	2.3
207.10132	95.2
208.10547	2.6
210.06830	2.3
210.15706	1.8
213.09196	1.8
215.06944	4.0
217.08580	3.6
219.10092	3.0
221.05910	2.7
221.07922	2.3
225.11076	3.9
227.10649	5.1
229.08603	4.3
233.07957	3.1
240.10063	2.3
245.08073	1.8
249.11296	2.4
253.08595	3.8
253.12003	3.0
255.10094	4.9
273.11243	10.5
275.09372	2.0
285.11096	5.5
287.12692	7.5
291.12241	10.7
293.09940	2.0
297.11151	2.4
299.12784	2.1
309.13211	2.5
311.11401	2.5
313.14304	15.4
323.11081	4.6
331.15350	43.2
332.15863	2.4
343.15384	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	557.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.5
55.01860	17.6
55.05264	1.9
55.05506	28.4
55.20396	1.4
57.03413	6.0
57.07055	3.0
59.04991	2.3
65.03921	3.1
67.05492	48.1
69.03404	2.6
69.07053	34.2
71.04981	5.0
71.08601	1.8
71.78726	2.6
77.77962	1.8
79.05482	52.4
81.03407	15.2
81.07043	60.4
83.01311	5.6
83.04966	15.9
83.08601	13.4
85.02898	3.4
85.06494	2.2
86.09700	2.3
91.05464	62.0
92.05820	1.6
93.07030	47.4
95.01330	13.7
95.04950	18.1
95.08598	33.8
97.06512	21.9
97.10139	3.3
99.04453	1.9
103.05453	4.1
104.10715	6.2
105.07011	71.4
107.04947	26.5
107.08578	25.1
109.06480	6.8
109.10143	11.7
111.04390	1.7
111.08079	3.5
117.07001	16.2
119.07713	2.4
119.08564	40.6
121.06471	6.7
121.10137	11.9
123.04448	2.6
123.08067	10.3
125.09614	3.4
126.02571	1.4
129.06964	4.9
130.07771	2.0
131.08539	26.0
133.06461	3.6
133.10104	40.3
135.08051	6.1
135.11638	12.3
137.09543	3.0
141.07014	1.9
143.08519	4.8
145.06441	3.7
145.08975	2.1
145.10101	25.8
147.11674	17.7
149.09590	6.2
149.13226	4.0
153.12750	3.0
155.08496	3.6
157.10092	4.2
159.11673	11.1
161.09636	1.9
161.13240	6.2
163.11165	17.2
165.09158	2.3
168.00237	1.7
169.10101	2.5
171.11679	4.1
173.09669	2.3
173.13249	5.3
177.12738	3.1
177.21065	1.7
179.14259	22.0
181.12170	2.5
183.11681	3.6
187.11198	3.3
187.14803	1.8
191.10603	3.0
197.13167	2.3
209.11723	3.3
233.15196	1.8
239.17883	4.8
247.20535	2.7
248.30385	1.6
257.18921	9.4
265.14291	2.8
267.04471	1.5
275.20023	100.0
276.20392	2.6
283.15369	3.2
293.21082	7.3
349.23676	4.9
465.30829	2.7
499.22086	3.5
539.33789	6.3
557.34625	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.5291
Annotation	N-(palmitoyl)-phytoceramide
Peak:m/z	Relative Intensity
55.05510	2.1
57.07066	13.6
58.06578	1.4
67.05501	3.3
69.07052	3.9
70.04307	2.2
70.06580	13.7
71.08620	9.1
72.08134	1.6
73.02897	1.5
79.05479	1.5
80.44849	0.5
80.70644	0.4
81.07043	3.6
83.08600	2.5
84.08118	1.6
85.10178	3.4
86.09688	1.3
87.04440	0.6
88.07616	7.0
89.06006	3.8
91.05470	1.4
91.78410	0.4
93.07021	1.7
95.08587	4.0
97.10149	1.4
100.07588	0.5
102.09157	3.6
105.07004	1.1
107.08570	1.0
109.10163	1.1
119.08572	1.5
121.10130	0.6
132.10190	5.4
133.08586	1.8
136.04233	0.5
137.09628	0.6
138.33418	0.4
138.78778	0.5
146.11748	5.5
177.11240	0.8
199.86568	0.5
212.23712	1.4
212.71486	0.5
228.23291	0.8
238.25226	0.4
251.45415	0.5
256.26312	11.3
271.54837	0.4
272.25751	2.1
283.26266	44.2
284.26685	2.2
289.25330	0.5
300.28934	26.9
301.29382	1.4
311.29398	4.2
318.29996	1.0
371.22781	1.6
375.88455	0.4
399.74573	0.5
401.16138	0.5
494.49472	0.7
538.52063	0.7
556.52911	100.0
557.53259	11.1
579.35681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
54.98392	0.3
55.01895	0.3
65.03912	0.9
68.99818	0.4
69.03409	0.7
70.06583	4.8
71.01346	0.5
71.29408	0.5
71.29730	0.4
78.66935	0.3
81.03403	3.6
81.07012	0.3
84.04491	1.7
85.02885	1.5
86.09684	3.7
88.03977	0.5
91.05470	0.9
93.07038	1.1
95.04952	1.5
95.08604	0.3
97.02863	1.2
99.04400	0.4
101.07109	0.4
103.03936	0.4
103.05430	2.2
105.03370	1.5
105.07026	0.4
105.85768	0.3
109.02867	2.0
111.04408	0.6
120.08084	60.9
121.02846	26.4
121.04092	0.4
121.06533	0.3
121.08419	0.4
127.03909	2.8
130.06476	0.4
130.08698	0.3
134.04474	0.4
136.07561	1.1
137.02319	100.0
138.02682	0.7
139.03905	1.9
145.02766	0.3
145.04904	0.7
183.14993	0.3
244.09221	0.4
256.09650	60.9
257.10071	0.4
265.07031	2.6
274.10770	2.0
283.08105	1.0
339.20261	0.4
489.09534	0.3
528.46558	0.3
538.16949	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	553.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66737	0.3
54.33730	0.3
63.02372	0.6
65.27933	0.3
67.05494	0.6
71.81429	0.5
78.04707	0.8
79.05467	0.7
81.03381	0.4
81.07047	1.2
83.08626	0.4
89.03900	9.9
89.04429	0.6
91.05444	0.9
93.06996	0.7
95.04943	0.5
95.08573	0.7
99.04478	0.4
103.05444	0.6
103.74688	0.3
105.07028	0.7
107.04948	0.7
107.08561	0.5
108.26096	0.3
109.10160	0.6
117.03358	24.6
119.08590	0.3
119.28336	0.4
121.02846	0.5
129.06970	1.0
131.04916	0.6
131.08543	0.9
133.10019	0.4
134.03575	2.3
135.04366	2.6
137.05956	1.9
138.03110	0.7
145.02818	55.4
146.03137	0.5
147.04381	0.7
149.05954	8.7
151.03879	0.8
151.07553	1.3
151.11165	0.6
153.05452	6.9
157.06461	0.5
158.05994	0.6
159.08037	0.8
163.03889	0.7
163.07533	1.4
167.06972	1.7
173.05894	0.4
174.06709	0.9
175.07536	0.7
177.05435	100.0
178.05789	0.7
179.07010	1.0
184.07324	0.8
186.05396	3.3
187.07529	1.1
189.09062	3.1
195.06537	0.6
201.09102	1.6
206.06947	0.3
219.10126	10.8
231.58162	0.3
272.12753	0.3
309.11133	0.4
337.27255	0.9
338.27682	0.7
341.13846	4.8
357.13351	0.4
373.29471	0.3
374.29626	0.4
535.68518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82518	0.3
57.26196	0.3
63.02385	0.5
67.05499	0.3
70.99460	0.7
71.08598	0.3
78.04696	0.5
79.05476	0.7
81.07069	0.5
86.09692	0.8
89.03899	9.4
89.04424	0.6
91.05481	0.9
95.04963	0.5
95.08606	0.4
103.05421	0.6
105.03345	0.6
106.04192	0.3
107.04924	0.4
107.08520	0.4
115.05446	0.4
117.03358	23.5
124.05245	0.3
125.00031	0.4
129.07019	0.7
130.43089	0.3
131.04915	0.4
131.08557	0.7
134.03596	2.0
135.04416	2.3
137.05949	2.0
138.03049	0.4
141.06976	0.5
145.02824	54.7
147.04375	0.9
149.05952	9.7
151.07515	1.4
153.05443	7.2
157.06502	0.6
158.05989	0.7
158.07210	0.3
159.08047	0.6
163.03903	0.8
163.07527	1.1
167.07019	1.7
169.06464	0.4
174.06725	1.4
175.07523	1.1
177.05443	100.0
178.05751	0.7
179.07001	0.9
184.07312	3.2
185.07541	0.3
186.05432	3.7
186.06796	0.5
187.07544	1.4
189.09058	2.2
191.07088	0.5
195.06470	0.8
201.09019	1.6
219.10132	10.2
250.21664	0.4
309.11188	1.0
328.18402	0.3
341.13782	5.0
357.13470	0.3
430.82629	0.3
553.28992	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	553.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52188	0.7
71.18042	1.3
71.18420	1.4
72.13950	0.6
93.84850	0.6
94.92982	2.0
95.91082	0.7
112.89603	1.0
177.46379	0.6
191.09851	0.8
202.89053	1.2
210.94032	100.0
211.94490	0.7
212.84938	0.7
266.76782	0.7
268.94604	0.8
277.91299	0.7
381.07870	14.2
391.10059	5.1
417.69510	0.7
553.15497	11.4
565.62299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.3
55.05496	3.3
56.80650	0.9
57.03412	1.3
57.07067	7.7
61.02916	1.9
67.05490	5.3
68.99764	1.0
69.03413	1.6
69.07051	8.0
69.80054	7.4
71.01367	1.0
71.04956	1.4
71.08617	13.4
73.02893	1.0
79.05475	3.9
81.03401	1.8
81.07040	9.3
83.04937	1.1
83.08598	2.9
85.02898	5.4
85.10172	6.8
86.09682	1.4
91.05470	1.9
93.03375	1.2
93.07036	2.4
95.04961	1.9
95.08588	9.9
97.02870	1.3
97.06518	1.9
98.21423	1.2
99.04502	1.3
103.03923	2.0
105.03371	1.6
105.07027	1.6
107.04999	0.9
107.08566	2.3
109.02859	2.5
109.06464	1.1
111.04443	1.5
113.02361	1.6
113.05999	1.6
117.07007	1.1
121.02856	2.1
123.04430	2.0
125.00022	1.1
125.02346	2.8
127.03900	1.9
129.49376	0.9
131.08557	1.3
133.10056	1.1
135.11650	2.9
137.02333	7.9
137.05902	1.0
137.13235	2.0
139.03906	6.3
145.04948	0.9
145.06453	0.9
147.11728	1.1
149.02321	3.4
151.03937	1.6
153.12721	1.9
155.03328	7.2
155.14265	8.6
165.05435	1.3
167.03416	3.0
173.04419	7.8
173.08034	1.1
177.05418	1.6
184.07292	4.3
185.04411	4.0
189.05301	1.1
193.04945	1.2
198.84840	0.8
203.03430	0.8
203.05302	1.2
225.14790	1.7
231.30991	1.0
235.09761	1.4
237.07561	1.3
239.16167	1.1
249.14836	1.0
252.64987	1.0
255.15892	2.8
265.14352	1.3
265.18057	1.2
267.15912	4.2
271.81778	1.0
281.14005	1.5
281.17596	0.8
283.15457	3.1
291.15845	2.9
293.17429	2.1
307.15274	1.9
309.16873	8.7
319.15198	2.5
323.34442	1.1
327.17953	41.9
327.21857	2.0
337.16464	12.9
355.17532	7.3
373.18524	100.0
565.36285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.4
55.01079	1.0
55.05253	1.4
55.05501	12.5
57.07064	9.4
59.04997	1.1
65.03921	2.7
67.05492	23.0
67.76093	1.2
69.03416	1.1
69.06728	1.5
69.07057	17.9
70.00568	7.2
70.14987	1.1
71.08624	2.0
74.59409	1.1
77.03934	1.3
79.05484	21.3
79.72234	1.2
81.03373	1.5
81.07044	37.7
83.04941	2.2
83.08604	9.3
85.06506	2.6
91.04903	2.1
91.05461	37.9
93.07027	49.7
95.04954	6.6
95.08593	45.0
98.20736	1.8
103.05457	4.5
105.04495	1.4
105.07015	70.9
107.08575	54.1
107.09323	2.1
109.06473	2.9
109.10139	40.4
115.05434	2.9
117.06992	14.8
119.08562	100.0
121.10130	48.0
123.08045	2.9
123.11687	15.4
128.06184	5.9
129.06978	10.9
130.07785	5.7
131.08540	28.7
133.10106	51.9
135.08049	1.2
135.11671	33.9
137.09578	3.2
139.11133	1.4
141.06970	3.9
142.07758	12.8
143.08530	19.1
144.09337	7.0
145.06471	1.4
145.10100	59.8
147.11646	19.8
149.09605	3.8
149.13237	5.3
153.06947	2.0
154.07780	2.9
155.08539	9.8
156.09349	11.0
157.10101	36.3
158.10901	5.9
159.11671	30.6
160.12480	1.7
161.13226	11.6
163.11118	3.8
163.14760	2.5
165.06964	2.1
166.07716	2.1
167.08522	5.3
168.09285	3.2
168.60274	1.2
169.10101	16.6
170.10873	4.0
171.11656	22.8
172.12410	2.4
173.13229	22.6
174.13719	1.3
175.14795	34.6
179.08530	5.1
180.09325	1.7
181.10092	8.9
182.06697	1.0
182.10870	8.2
183.11659	15.0
185.13205	15.0
187.14803	16.3
189.16331	3.0
191.14343	1.4
192.09297	1.7
193.10112	4.6
193.12263	1.0
193.15781	1.4
194.10866	4.4
195.11679	11.7
196.12413	4.2
197.13229	20.0
199.14816	8.2
201.16377	14.0
205.10124	1.5
205.15874	1.6
206.10820	1.3
207.11604	5.4
208.12375	3.5
209.13199	12.0
210.13971	1.9
211.14824	11.1
213.16327	5.8
215.17876	1.5
217.15793	1.9
219.11513	2.0
219.17413	4.9
220.12527	1.4
221.13249	6.6
222.13992	2.0
223.14772	9.1
224.15521	1.3
225.16374	4.4
227.14220	1.7
227.17926	2.3
229.19469	1.2
231.11702	1.8
233.13191	3.4
235.14767	4.5
237.16342	6.5
239.17879	2.1
241.19426	2.4
247.14827	2.9
249.16350	3.1
251.17783	2.8
253.19440	4.1
257.18912	1.5
259.20566	2.1
261.16275	3.9
263.17847	3.8
265.19385	5.2
267.21017	5.7
275.18027	3.3
277.19339	2.6
279.21082	1.6
283.20413	2.1
285.22061	4.4
289.19547	1.7
295.20251	1.4
317.22833	1.3
319.24054	1.7
337.25128	1.5
341.22815	1.3
345.25787	3.1
347.23630	1.5
349.24979	2.0
355.23602	1.1
373.61444	1.1
411.30157	2.1
429.31503	1.9
441.08929	1.1
459.36121	2.5
495.35980	2.0
533.41144	4.5
551.42468	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35539	2.3
53.03936	4.2
55.05502	11.3
57.07072	12.1
59.07977	2.1
65.03921	3.4
67.05492	21.1
69.07059	18.1
69.94299	7.2
69.94734	6.5
71.08610	3.3
79.05487	19.9
80.43262	2.6
81.07041	37.2
83.08614	8.2
85.06501	2.2
91.05460	28.8
93.07027	53.4
93.07574	4.5
95.04955	7.3
95.08591	41.9
103.05476	3.1
105.07017	64.3
107.08572	56.3
109.06495	2.6
109.10135	44.5
115.05429	3.5
117.06999	13.4
119.08564	100.0
119.94179	2.1
121.10121	47.5
123.08060	3.1
123.11671	12.6
125.77368	2.1
128.06226	4.0
129.06984	10.8
130.07753	5.0
131.08540	26.8
132.09459	2.7
133.10106	60.8
135.10719	4.2
135.11673	40.0
137.09641	6.0
141.06943	6.7
142.07721	13.0
143.08554	22.0
144.09341	5.2
145.10097	67.4
147.11650	23.8
149.09619	2.3
149.13213	5.1
155.08540	10.7
156.09358	11.4
157.10095	31.3
158.10847	3.1
159.11671	31.5
161.13249	12.0
163.11177	2.9
163.14827	2.5
165.06926	2.8
167.08495	4.4
168.09444	2.7
169.10101	14.8
170.10905	6.1
171.11678	20.1
173.13231	21.8
173.54495	2.8
175.14786	41.7
179.08540	4.9
180.09364	2.4
181.10149	5.4
182.10976	5.2
183.11655	17.6
185.13200	15.0
187.14804	16.4
189.16330	5.3
193.10233	5.5
194.10889	4.1
195.11658	10.1
196.12495	4.8
197.13200	22.8
199.14783	7.4
201.16362	14.8
202.87027	2.4
207.11664	6.6
208.12439	3.0
208.88646	2.4
209.13176	16.4
211.14830	12.3
213.16368	6.6
215.18030	2.5
219.17407	5.2
221.13217	6.6
223.14722	12.1
225.16394	6.0
235.14914	3.6
237.16371	6.7
241.19470	5.2
249.16452	4.1
251.17931	4.6
253.19548	5.7
259.20453	3.6
263.17868	4.2
267.20935	5.5
275.17761	3.1
277.19357	2.7
279.21039	2.9
285.22000	5.1
299.23395	2.8
345.25742	4.0
429.31360	2.4
459.36313	2.8
495.26392	5.9
495.36276	4.8
533.40784	5.0
551.42456	43.3
551.50513	3.8
573.70148	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	551.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01870	0.9
55.05489	1.9
57.07065	17.2
57.31725	1.0
65.03931	7.7
67.05484	7.8
69.07047	3.4
70.74895	3.1
71.08614	19.8
75.04590	0.8
79.05454	2.4
81.03403	1.2
81.07043	15.7
83.04971	1.7
83.28033	1.0
85.10175	12.9
90.27618	0.9
91.05470	3.9
93.06978	1.1
93.20951	1.0
95.04930	5.7
95.08589	15.8
99.15527	0.8
101.40936	1.0
103.05462	5.5
105.03376	29.8
105.06991	1.0
107.04949	9.8
109.02852	1.6
110.03577	1.3
110.57602	0.9
111.04424	5.1
116.04931	0.9
121.02851	7.4
121.03970	2.7
121.06476	2.5
131.04907	16.2
132.04433	7.2
134.06010	1.7
135.04375	4.1
137.13220	4.2
139.03873	2.1
146.05951	3.1
149.02315	18.5
149.05954	12.8
153.07014	1.2
155.14281	18.9
159.04402	6.0
160.03929	2.1
161.05981	3.1
161.60371	0.9
162.05420	1.2
163.03873	17.3
165.06947	2.3
166.07623	1.0
167.08487	1.9
168.05646	0.9
169.06465	1.4
173.05937	2.0
176.04710	1.1
177.05458	64.2
177.06886	2.9
178.05853	1.3
179.08517	3.2
180.05756	1.3
181.06401	2.3
187.03745	17.3
189.05420	17.2
191.08455	1.5
192.05687	1.2
193.06490	2.7
194.07304	1.4
194.09564	1.3
195.07971	1.8
197.05919	3.6
199.07535	5.4
201.05457	2.3
204.06325	1.0
204.08054	28.0
205.04906	100.0
205.06523	10.8
206.05203	2.1
206.06889	1.1
207.08043	2.7
215.07108	1.6
219.08115	2.8
221.09560	2.1
222.06721	2.6
222.08859	1.3
223.07370	1.1
225.08972	2.1
227.07100	6.9
232.07526	14.8
233.05942	14.8
234.10378	3.9
235.07542	5.4
236.04741	1.2
237.09067	21.3
238.09354	1.2
248.04582	2.9
248.06931	1.1
249.07819	1.6
250.06128	1.8
250.09746	4.3
251.07018	12.5
251.10645	9.2
252.09363	2.2
253.10091	3.8
256.09616	1.0
258.18793	0.9
263.07123	9.0
264.06912	1.3
264.10098	2.3
265.08566	4.3
265.12198	12.1
270.07697	1.1
270.11194	3.0
280.00143	1.1
280.09732	1.6
281.09576	25.4
282.11215	62.9
283.11569	4.0
289.17868	3.2
309.09064	13.3
313.17923	3.0
317.17538	4.6
331.19012	11.9
338.11697	1.3
341.11572	4.9
341.17471	1.5
357.13110	1.6
359.18475	3.3
363.12296	1.4
366.14960	2.1
370.14267	9.4
377.19537	1.5
380.12701	2.3
381.13351	1.2
396.15833	4.2
398.13297	14.9
398.17676	5.3
399.14099	2.1
414.16867	5.1
519.22559	2.7
533.23505	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95605	0.4
57.07066	10.0
67.05497	4.4
69.07049	1.3
69.53922	4.9
70.16914	0.5
70.89121	0.4
71.08244	0.9
71.08619	15.5
79.05468	1.1
81.07042	11.0
83.04944	0.6
83.08594	0.7
85.09723	0.7
85.10173	7.8
91.05442	0.6
93.03423	0.5
95.04970	1.1
95.08595	10.0
98.21387	0.8
103.05475	3.0
107.04930	5.7
111.04419	0.6
115.05424	1.2
121.02812	0.5
121.06473	2.0
131.04906	11.3
133.06477	0.7
135.04401	2.2
137.13211	2.3
141.06963	0.5
143.04921	2.8
149.05952	8.8
155.14281	15.6
156.12419	0.5
159.04391	3.7
161.05951	4.1
163.03882	1.0
169.06439	1.1
173.05949	1.5
177.05443	41.4
178.05801	0.7
187.03583	0.9
187.05188	4.5
187.07617	0.5
189.05434	24.1
197.05894	3.6
201.05420	1.8
203.03535	0.6
205.04929	100.0
206.05295	1.4
211.07613	0.5
215.07014	2.2
251.10820	0.5
260.68024	0.4
313.17947	3.7
315.19421	1.0
331.18964	6.4
341.17447	2.5
359.18350	0.8
423.77487	0.5
551.28168	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
53.63086	0.4
55.05490	1.5
57.07065	13.9
65.03925	0.6
67.05501	3.8
69.07054	1.8
69.61461	0.5
70.15401	3.1
71.08237	1.0
71.08620	17.6
74.81158	0.6
79.05463	0.8
81.07045	11.3
83.04964	0.8
83.08588	0.7
85.10172	9.5
86.09682	0.9
95.04958	1.4
95.08594	12.3
102.78284	0.5
103.05437	5.7
105.03368	5.5
107.04939	0.7
111.04425	1.1
115.05420	0.8
121.02837	1.0
123.49786	0.5
128.56516	0.6
130.48651	0.6
131.04909	28.7
135.04384	1.1
137.13220	2.1
149.05943	2.1
155.14287	9.3
157.06416	1.2
159.04391	62.5
160.04692	0.6
161.05946	1.4
163.03873	26.4
173.05974	0.7
177.05444	41.1
178.05807	0.8
184.07344	1.6
187.03874	34.3
188.04092	0.6
189.05444	2.7
201.05470	0.6
205.04932	100.0
206.05266	3.0
234.10289	0.7
235.07446	0.8
250.09991	0.7
251.10681	1.8
265.12064	1.3
270.11234	1.8
289.17810	1.3
317.17404	2.0
324.84409	0.6
331.18930	1.9
359.18472	31.9
360.18890	1.4
398.17389	0.8
551.26752	1.0
551.38452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
55.05491	1.0
57.07063	10.6
58.03651	0.4
65.03932	0.5
67.05491	5.2
67.36409	0.4
69.07063	2.0
70.74689	0.9
70.75088	0.9
71.08616	16.1
79.05458	0.6
81.06590	0.8
81.07039	10.4
81.16071	0.4
83.04950	1.2
83.08594	0.8
85.10167	8.1
86.09695	0.5
91.05466	0.6
93.07025	0.5
95.04936	1.4
95.07987	0.8
95.08586	13.1
103.05444	3.5
105.03372	0.9
107.04930	5.7
110.07144	0.4
111.04369	0.9
115.05424	0.8
118.18842	0.4
121.02843	1.1
121.06478	1.7
121.10110	0.4
129.05431	0.6
131.04893	9.9
135.04384	2.8
137.13239	2.8
138.72365	0.4
141.06924	0.4
143.04881	1.7
149.05945	9.8
155.14281	16.6
159.04401	3.6
161.05933	3.6
163.03873	11.5
169.06422	1.4
173.05934	2.4
177.05435	41.4
178.05762	0.5
183.08075	0.6
184.07324	1.1
187.03775	1.7
187.05177	4.9
189.05431	22.4
197.05952	3.3
201.05383	1.9
205.04918	100.0
206.05234	1.8
215.03343	0.6
215.06964	1.7
231.10020	0.6
258.79022	0.5
267.43265	0.4
272.90320	0.4
289.17905	0.9
313.17935	4.7
315.19534	0.9
317.17511	3.1
331.18991	7.5
341.17444	3.7
359.18524	0.8
432.17508	0.5
523.91351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86089	0.6
57.07069	11.9
67.05493	3.9
67.05780	0.7
69.07048	2.3
69.52826	0.9
69.53149	7.6
71.08621	16.0
79.05479	0.9
81.07047	10.6
81.37679	0.6
85.10175	9.1
91.05447	0.7
95.04952	1.6
95.08591	10.9
103.05438	2.3
107.04932	5.3
109.80172	0.6
115.05428	1.7
117.68209	0.6
121.02827	0.9
121.06480	1.5
131.04903	10.5
132.05171	0.7
135.04353	1.7
137.13217	3.1
141.03244	0.7
143.04906	1.5
149.05948	8.6
155.14290	16.5
159.04362	4.3
161.05998	3.8
163.03885	6.2
169.06467	1.0
172.62462	0.7
173.05911	2.2
177.05440	41.4
178.05835	1.0
185.62653	0.6
187.03648	1.4
187.05200	4.1
187.07686	0.8
189.05432	24.4
194.93486	0.7
197.05968	4.7
201.05449	3.4
205.04935	100.0
206.05243	2.1
215.07048	1.6
313.17935	5.7
331.19028	8.6
341.17365	2.4
359.18488	2.3
525.71655	0.7
558.41180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.2
57.07066	23.8
63.00764	0.8
67.05495	8.6
69.03433	1.0
69.07066	4.2
70.16034	5.2
71.08619	31.9
71.76579	0.9
79.05463	2.0
81.03389	1.0
81.07038	19.4
83.04988	0.8
83.08609	1.2
85.10159	18.0
86.00746	0.8
91.05475	1.7
93.07036	1.5
95.04954	2.0
95.08592	22.0
97.10164	1.1
103.05447	7.9
105.03371	2.0
107.04921	2.0
115.05457	1.6
116.15959	1.0
121.02850	1.4
128.11328	0.9
129.06961	1.1
131.04903	41.6
135.04378	1.6
137.13217	2.5
149.05959	3.1
155.14276	14.8
157.06477	2.0
157.80569	0.8
159.04385	83.3
161.05885	1.3
163.03877	44.6
173.05937	1.4
177.05434	78.7
178.05870	1.0
184.07349	2.6
187.03868	37.8
189.05434	3.3
197.05954	1.1
201.05460	1.7
205.04922	100.0
210.18454	1.6
218.07970	1.0
236.09062	2.0
261.86877	0.9
289.17896	2.4
317.17499	4.8
331.18970	2.8
341.17310	1.2
344.22137	1.8
359.18457	60.0
360.19019	1.0
390.22638	2.3
405.27417	1.0
552.28149	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	551.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
54.92116	0.4
59.54062	0.5
65.81995	0.5
71.20976	1.4
83.52187	0.4
85.91895	0.4
91.05471	0.9
95.04959	2.9
105.03369	25.4
106.03710	0.6
106.58837	0.5
115.34666	0.5
148.07581	1.3
149.05937	1.5
165.06944	2.6
166.07739	1.4
167.08563	1.6
177.06996	0.9
178.07745	0.7
179.08516	1.9
181.06383	0.6
181.10040	0.9
190.07813	1.3
191.08510	6.2
193.06395	1.3
194.07213	3.4
195.07985	3.0
205.06351	2.4
206.07156	0.6
207.08040	3.7
208.08728	1.0
209.09608	2.3
211.83472	0.5
217.06535	0.7
218.07249	0.6
219.07994	3.5
221.05974	2.3
222.06731	8.2
223.07448	3.4
226.72958	0.5
233.05933	2.0
235.07526	1.2
236.08253	0.8
237.09131	6.5
239.07001	2.9
241.08566	2.1
247.07506	1.4
250.06252	3.3
250.08539	0.7
251.07001	10.6
253.08473	1.0
255.10092	0.9
263.06982	1.2
265.08548	17.5
266.08722	1.0
267.06488	1.6
267.09042	2.2
268.07239	8.5
268.09677	0.8
278.07965	0.6
279.09457	0.9
281.09781	0.9
282.08597	7.2
282.11655	2.7
283.09589	33.9
284.09879	0.7
293.10474	1.6
294.11047	1.3
296.09140	1.1
297.11166	13.3
298.11545	1.2
299.11771	1.1
308.10550	5.3
309.09781	0.7
310.10733	2.0
311.11539	1.1
314.13992	1.1
314.76166	0.5
322.12213	2.4
324.12259	3.2
325.09537	0.8
325.12939	4.4
327.10098	0.8
332.10516	0.6
333.11420	0.7
336.10138	3.8
337.10944	1.2
338.09100	0.7
341.11450	0.8
350.11749	3.6
351.12610	4.5
353.10773	1.2
354.11197	35.4
362.11530	1.2
369.11118	1.9
379.11978	18.3
380.12598	1.1
381.11108	0.7
382.10672	25.4
383.12836	0.7
397.13022	19.6
398.13354	1.0
412.15347	49.7
413.13815	4.2
430.16415	100.0
431.16757	2.1
551.20880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
55.05496	11.6
57.03431	1.7
57.07063	3.3
61.02924	2.9
67.05492	6.6
69.03421	13.0
69.07054	5.1
71.04973	7.7
71.78448	2.9
73.02901	2.8
79.05466	5.8
81.03403	7.5
81.07052	15.4
83.04961	10.9
83.08624	10.7
85.02893	52.0
85.06516	3.9
86.06036	4.1
87.04483	2.2
88.24828	1.8
91.05452	4.9
93.07029	8.0
95.04946	17.1
95.08574	5.3
97.02878	18.0
97.06511	6.7
97.97209	1.7
99.04443	34.4
103.03925	64.1
105.07021	11.5
107.08569	20.7
109.02863	14.1
109.06523	14.6
109.10136	24.3
111.04430	2.3
111.08070	3.8
115.07500	1.7
115.08692	3.8
118.34917	1.8
119.08607	8.8
121.10123	16.0
123.08033	5.8
123.11703	6.5
125.07229	2.0
125.09608	1.9
127.03897	68.2
131.08536	9.1
133.10103	37.3
135.08035	4.4
137.05960	3.5
137.13193	2.5
143.08501	2.1
145.04933	41.7
145.10092	3.8
147.11646	6.9
149.07405	5.4
149.09583	2.1
149.13242	6.5
151.11156	12.6
153.09059	9.5
158.10876	4.8
163.03947	2.3
163.06000	47.6
163.11226	2.2
163.14825	3.0
165.12727	3.4
167.14304	13.2
171.11613	1.9
173.13240	21.9
175.14806	7.6
187.06007	4.0
189.49788	2.1
191.14279	23.8
205.07054	4.0
206.04520	2.8
207.13731	4.4
208.14140	3.0
209.15326	100.0
210.15775	2.5
225.14897	2.4
227.16382	9.8
271.08105	7.7
289.09079	5.1
303.05078	3.5
307.10153	10.6
419.21964	1.8
420.22247	7.8
450.55014	1.8
532.27905	1.9
550.19214	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	551.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05497	2.8
57.07067	16.9
57.29261	1.0
65.03922	5.8
65.93897	0.8
67.05494	7.3
69.03427	1.8
69.07055	4.2
69.66931	2.1
69.67326	7.8
71.08619	24.7
75.30866	0.8
79.05466	2.3
81.07045	15.4
83.04967	2.2
83.08597	1.0
85.10173	12.6
91.05454	2.7
93.03381	1.5
93.07043	1.0
95.04950	4.8
95.08591	16.8
96.73608	0.9
103.05450	4.5
105.03378	25.4
105.06964	1.5
107.04934	8.1
109.02864	2.5
110.03642	1.3
111.04430	4.9
115.05430	1.5
116.04959	1.0
118.06538	1.1
121.02862	4.7
121.03960	1.3
121.06501	2.8
126.35509	0.9
131.04909	16.7
132.04466	6.4
133.69872	0.9
133.82526	0.9
134.05994	2.0
135.04387	3.5
137.05930	1.3
137.13255	2.9
139.03915	1.4
143.04916	2.4
146.05991	2.9
147.04279	1.1
149.02328	16.6
149.05980	13.8
152.06197	1.2
153.05522	1.2
153.06972	1.7
155.14291	22.6
159.04410	7.0
160.03923	1.9
161.05986	3.0
162.05487	2.0
163.03882	20.6
163.05283	1.3
165.06938	1.3
167.08504	2.1
169.06514	2.0
173.05966	2.4
175.29800	0.9
177.05449	68.5
179.08519	1.6
180.05725	1.1
181.06459	2.2
187.03720	15.1
187.05096	3.6
189.05434	16.5
193.06561	1.5
194.07274	2.8
194.09683	1.4
195.08020	1.6
197.05959	3.9
199.07507	5.9
201.05481	2.8
204.08066	23.1
205.04903	100.0
205.06516	11.6
207.08006	1.7
208.08803	1.4
215.06929	1.9
219.07973	2.7
221.09683	2.7
222.06834	2.0
222.09138	2.1
225.09093	1.1
226.08722	1.8
227.07027	5.8
232.07532	13.0
233.05922	12.0
233.07950	1.6
234.10399	3.8
235.07655	5.0
236.04611	2.3
236.08400	1.0
237.09064	21.4
248.04778	2.0
249.07787	2.2
250.06332	1.1
250.10054	4.6
251.07016	12.3
251.10643	7.1
252.09505	1.7
253.10045	4.6
263.07114	6.5
264.10226	2.0
265.08664	3.7
265.12204	8.1
270.11240	1.1
280.09753	2.3
281.09601	22.7
282.11227	53.5
283.11716	1.3
289.18030	4.8
309.09012	11.9
313.17908	5.6
315.25528	0.9
317.17523	7.1
329.19614	1.5
331.18997	13.1
338.11826	1.6
341.11658	4.8
341.17270	1.4
357.13293	2.7
359.18359	4.6
366.14951	1.4
370.14343	9.9
377.19495	1.3
381.13385	1.4
396.15836	4.8
398.13498	15.7
398.17746	2.9
414.17197	5.7
519.22632	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.7
57.07067	19.7
60.08144	5.1
67.05489	9.9
69.07059	4.1
70.01563	10.1
70.94415	1.5
71.07346	3.2
71.08617	29.6
74.28481	1.3
79.05482	3.0
81.07040	17.3
83.04954	2.2
83.08602	2.8
85.10169	15.2
86.09691	22.7
95.04965	5.1
95.08591	21.3
97.42068	1.6
103.05445	6.6
104.10720	43.2
105.03385	7.4
105.06995	2.3
107.04933	1.6
111.04391	5.3
121.02861	6.8
124.99983	10.8
131.04909	48.2
135.04408	3.4
137.02309	3.8
139.03867	4.7
149.05930	1.8
155.14294	11.8
157.04959	2.6
157.06474	2.1
159.04388	87.2
163.03871	24.9
173.06036	1.7
177.05443	65.7
184.05663	2.3
184.07324	40.1
187.03868	61.8
200.80139	1.7
205.04909	13.9
238.08588	1.8
258.11246	3.7
276.42813	1.6
281.56418	1.5
289.17816	3.7
311.18710	1.7
315.53210	1.5
359.18460	100.0
360.19107	3.1
515.22235	1.6
532.30243	2.4
550.31360	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	549.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93541	4.7
50.96555	6.0
55.01854	38.5
55.05508	22.8
57.07061	59.9
59.04985	6.0
67.05492	50.5
69.07048	31.9
71.04984	12.4
71.08611	81.1
71.79456	7.4
79.05498	20.8
81.07036	92.5
83.05008	5.1
83.08616	23.2
85.10152	42.2
87.59335	4.7
89.64025	4.8
91.05454	35.2
93.07026	48.9
95.04975	12.9
95.08579	79.8
97.06520	5.4
97.10165	8.2
105.07021	43.9
105.18961	4.6
107.08604	18.1
109.06522	7.4
109.10143	46.5
117.07025	13.9
119.08557	38.1
121.06542	4.9
121.10156	18.9
123.11756	5.9
129.06984	6.6
131.08578	22.1
133.10135	16.7
135.08009	6.4
135.11719	12.3
137.09570	100.0
137.10451	6.4
141.07063	7.7
143.08560	7.5
145.10167	13.7
155.14267	29.0
156.58850	5.3
157.10127	7.8
159.08029	9.6
159.11694	14.7
169.10132	6.8
171.11679	10.8
173.09683	5.7
175.01251	5.0
187.11185	9.9
188.28270	4.8
199.14569	8.5
212.37764	5.9
224.20062	5.8
313.25381	18.6
331.26276	13.6
341.24570	35.8
359.25696	47.3
361.31055	8.0
363.32550	7.9
377.26550	9.2
379.29648	16.9
395.32846	7.7
443.35110	7.2
477.37366	9.9
495.38278	16.5
513.39325	11.3
524.08557	5.9
531.40283	6.9
538.51501	6.0
549.40088	17.1
549.47162	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	549.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43272	0.6
52.45819	0.8
54.22757	0.6
55.05494	2.7
57.07065	11.7
63.46152	0.7
65.03940	0.8
67.05489	7.2
69.07067	3.3
71.08620	20.5
71.79063	1.2
79.05453	1.5
81.03402	0.7
81.07040	12.4
83.04951	1.4
83.08599	1.3
85.10165	9.8
91.05467	6.3
93.07019	1.2
95.04942	6.2
95.08586	14.7
105.03356	0.9
107.04895	0.8
107.08526	0.7
109.13793	0.7
111.04422	1.9
119.04919	5.0
120.08003	0.6
121.02827	1.9
129.03346	1.9
131.04907	1.7
135.11667	1.0
136.92400	0.7
137.13223	2.4
139.03883	2.5
145.02725	0.9
147.04393	16.5
153.12727	1.4
155.14284	25.1
156.56255	0.6
159.04391	1.9
175.03880	31.1
177.05396	1.6
185.02254	0.9
185.05911	1.3
187.03865	2.6
189.05400	1.1
191.03380	1.5
193.04942	6.8
199.03836	1.8
203.03355	100.0
204.03943	0.9
205.04892	3.8
207.02885	2.9
213.05482	1.6
215.03290	1.7
217.04956	1.9
220.06905	0.8
221.04370	7.6
231.02849	2.4
241.04936	0.9
261.25723	0.9
305.17477	1.1
329.17389	4.6
339.15729	3.8
357.16931	19.1
375.17850	2.6
531.22058	1.3
549.22974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.01897	0.3
55.05501	0.3
57.03424	0.5
57.07067	28.9
58.07392	0.4
61.02922	0.4
67.05486	0.5
68.99778	0.6
69.03419	1.9
70.06562	0.3
71.81187	0.5
72.77888	0.3
79.05483	0.5
81.03415	1.9
81.07050	0.8
85.02892	4.0
85.06528	5.5
89.03889	0.3
91.05453	0.4
95.04919	0.4
95.08601	0.3
97.02879	2.3
99.04434	1.0
103.03922	0.5
103.07550	0.6
105.03393	0.4
105.06968	0.4
107.04881	0.3
109.02858	2.1
111.00795	0.8
111.04389	0.3
117.03333	0.3
121.02860	1.1
123.04380	0.7
127.03899	3.2
128.07121	0.3
133.10051	0.4
137.02319	3.3
137.05910	0.3
141.72354	0.3
145.02850	0.7
145.04927	2.0
145.06519	0.3
147.04396	0.9
151.03879	0.7
153.01813	3.8
153.05408	0.3
161.06004	0.3
163.03876	0.9
165.01826	2.0
173.05991	0.3
177.05453	0.9
183.02818	0.9
187.04021	0.6
187.05910	0.5
187.09547	0.5
191.03380	1.0
194.09244	0.5
195.04529	0.3
195.09712	0.3
201.05391	1.4
207.17424	0.4
229.04900	3.4
229.10677	4.1
247.06044	0.7
247.11740	4.7
257.04407	2.7
274.04691	0.6
275.05603	0.5
285.03888	1.0
303.04947	100.0
304.05240	0.9
345.06122	0.5
355.11835	0.5
357.12155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
53.03936	5.7
57.07027	1.1
67.05481	0.7
69.07064	0.5
71.08614	0.6
71.31182	1.2
77.03893	1.2
91.05450	1.7
95.04960	12.5
105.03375	99.0
105.04514	2.4
106.03671	0.6
113.60695	0.5
146.05930	0.8
153.07025	0.7
165.06941	3.4
166.07774	3.0
167.08545	1.4
168.05742	0.7
177.06955	2.1
178.07684	1.7
179.08560	4.8
180.09305	0.6
181.06461	1.6
181.10080	3.1
189.07036	2.5
190.07709	3.9
190.09093	0.5
191.08522	21.5
193.06390	2.7
194.07216	7.7
195.08006	2.7
204.05685	1.3
205.06453	9.8
206.07123	1.1
207.02829	3.4
207.08018	10.8
208.08759	4.8
209.09584	10.1
209.11490	0.8
211.07597	0.8
217.04832	1.0
218.07217	2.6
219.08018	15.0
220.08745	1.0
221.05972	4.5
222.06734	24.1
223.07458	4.3
223.10973	0.6
224.08240	0.7
226.08585	1.4
233.05920	6.7
234.06682	1.2
235.07509	5.1
236.08322	4.0
237.09059	25.2
238.06180	0.7
239.07016	3.9
247.07460	6.0
248.08289	0.8
249.05496	1.6
250.06218	4.8
251.06981	2.2
251.10774	0.6
253.09895	5.5
254.09421	0.6
255.10176	2.8
263.06989	2.3
264.07715	2.7
265.08560	76.3
266.09119	3.1
267.06519	6.6
267.09927	1.1
279.10205	3.5
282.08820	28.5
283.09503	1.4
297.11169	100.0
298.11609	2.5
324.09933	0.7
329.17529	2.3
353.10577	0.9
367.11942	1.5
368.12970	0.7
369.10190	0.7
370.10645	0.8
384.12210	2.6
393.23367	0.6
395.11328	0.6
396.12332	1.9
398.10175	1.4
401.13675	1.9
410.13742	0.7
413.12405	3.5
414.13083	1.9
428.14880	50.0
429.15179	1.7
469.28085	0.7
532.17444	1.8
549.20129	38.1
549.48468	1.1
550.20557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03938	1.8
69.03412	0.3
70.39787	0.7
77.03938	0.6
81.03415	0.5
82.50652	0.2
82.79774	0.2
84.08147	0.3
85.02888	0.8
91.00494	0.2
95.04951	4.1
97.02855	0.5
99.04424	0.6
103.03919	0.6
105.03371	100.0
106.03704	1.0
109.02872	0.2
112.07594	0.3
121.10057	0.2
127.03901	0.6
145.04941	0.3
158.08096	0.4
175.02332	0.2
181.24901	0.2
206.76907	0.2
224.10658	50.1
225.11034	1.1
228.08533	0.2
242.11739	7.0
243.12222	0.2
246.09659	0.4
303.04932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	13.0
57.07068	64.2
59.66889	5.4
67.05486	25.6
69.07044	31.3
71.08617	85.9
71.83353	5.7
79.05464	10.1
81.07039	63.9
83.04957	10.5
83.08566	9.3
85.02879	17.2
85.06489	7.9
85.10172	51.5
91.05450	18.9
93.07015	22.9
95.04891	5.4
95.08589	67.3
96.08897	5.5
96.36116	6.5
97.10123	6.1
98.00832	5.8
100.32561	6.0
105.07014	33.6
107.08556	10.3
109.10101	10.6
117.06987	20.5
118.02176	6.1
119.08560	25.7
121.06393	6.0
129.06982	20.0
131.08514	16.2
133.10150	5.8
137.13179	6.9
143.08536	18.0
145.10086	24.2
155.14278	78.0
156.09290	18.2
157.10072	8.7
159.11644	14.6
171.11655	34.4
189.12711	100.0
211.16885	16.2
259.20410	6.4
285.22226	7.7
315.26791	7.9
341.28403	34.0
343.26093	6.4
359.29169	8.3
387.70328	5.9
411.36115	34.1
429.37070	9.0
495.41940	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
55.01857	1.9
55.05503	18.1
56.88427	0.8
57.03424	7.6
57.07075	4.0
59.04993	0.9
63.58796	0.7
65.03934	2.5
67.05493	57.4
68.05801	0.9
69.03418	2.3
69.07059	17.6
71.04977	3.3
71.08619	1.8
71.25614	2.2
79.05482	26.8
81.02929	1.7
81.03407	33.9
81.07042	54.5
82.07388	1.8
83.04967	7.6
83.08609	17.6
85.02894	13.9
85.06532	1.3
86.09698	1.4
91.05470	25.0
92.05789	1.1
93.07027	22.4
95.04950	16.1
95.08592	36.6
96.05312	1.2
96.08921	1.0
97.02872	1.3
97.06512	3.7
97.10156	6.2
99.08088	1.6
105.07016	18.8
107.04961	3.2
107.08586	11.8
109.06515	3.5
109.10142	14.9
110.10470	0.9
111.04428	1.3
111.08062	6.2
113.06004	1.1
113.09607	0.8
113.89172	0.8
117.06995	3.3
119.08555	16.5
121.06488	1.3
121.10117	11.8
123.04403	1.6
123.08042	1.6
123.11694	6.2
125.09629	2.5
129.06993	6.7
131.08542	8.2
133.06516	1.9
133.10103	10.4
135.08037	1.1
135.11685	4.0
137.09579	1.5
137.13252	2.2
142.07762	1.8
143.08542	1.1
143.27998	0.8
145.10091	3.5
147.08035	1.7
147.11668	10.5
149.09605	2.7
149.13278	2.4
157.10088	7.6
159.11691	2.2
161.13223	2.1
163.11200	1.2
163.14790	1.3
165.12701	1.1
171.11636	1.3
173.13286	1.9
175.11208	6.8
175.14815	2.3
184.07320	1.2
187.14880	0.9
189.16345	0.9
193.12215	25.2
211.13242	30.5
212.13507	0.9
245.22795	2.1
249.14812	1.9
263.23560	4.9
267.15878	9.6
285.16965	1.2
303.26877	1.2
312.63977	0.7
319.26453	1.2
337.27341	8.4
368.58463	0.7
437.34109	1.4
455.34930	3.3
473.36557	1.2
529.38770	14.5
530.38733	1.5
547.39856	100.0
548.40308	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	547.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01849	2.3
55.05502	20.3
57.03421	7.9
57.07069	5.3
59.04978	1.0
60.45527	0.8
65.03928	2.2
65.34309	0.7
67.05493	60.0
67.73622	0.8
69.03407	3.0
69.07059	16.7
71.04972	4.1
71.08615	1.7
71.78675	0.8
71.79109	1.1
76.90776	0.8
79.05478	28.9
81.02924	1.8
81.03403	34.2
81.07041	54.0
83.04966	6.9
83.08604	18.9
85.02889	14.7
85.06538	1.5
85.10143	1.7
86.20049	0.9
91.05466	26.0
93.07028	28.1
95.04954	18.7
95.08587	39.3
97.02892	2.1
97.06500	4.8
97.10154	5.4
99.08082	2.0
105.04533	1.3
105.07011	21.3
107.04938	3.6
107.08559	14.8
109.06500	3.6
109.10136	16.1
111.04403	1.7
111.08058	6.6
113.05988	1.4
115.05447	1.8
117.07001	3.4
119.05022	0.9
119.08563	15.4
121.06490	2.8
121.10136	12.6
122.60674	1.0
123.08059	2.1
123.11684	7.3
125.09604	3.6
129.06999	4.9
131.08565	10.3
133.06522	1.9
133.10120	10.1
135.11670	6.1
137.09631	1.6
137.13217	2.2
139.11157	1.0
142.07822	1.5
143.08562	2.7
145.10098	3.8
147.08046	2.1
147.11674	9.1
149.09599	3.4
149.13248	3.0
157.10120	6.1
159.11668	2.1
161.13254	2.9
163.11150	1.1
163.14819	2.7
165.12743	1.7
169.10126	1.2
171.11671	1.5
173.13359	1.7
175.11171	7.5
175.14836	1.9
177.12880	1.0
177.16385	1.2
185.13185	1.4
187.14769	1.3
189.11223	1.2
189.16357	1.4
193.12206	27.9
199.14903	1.3
205.12065	1.0
207.17377	0.8
211.13258	29.0
212.13722	1.1
227.12706	1.3
235.13185	1.3
245.22577	1.8
259.63663	0.9
263.23691	3.5
267.15845	11.1
285.17029	1.3
289.54993	0.9
298.86761	0.9
303.26865	1.3
319.26379	1.2
337.27322	9.5
361.27573	1.1
437.34192	2.4
455.35004	3.6
473.36249	3.3
529.38794	18.6
530.39233	1.1
547.39832	100.0
548.40332	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
53.31086	0.5
55.01865	2.9
55.05501	17.6
57.03428	6.0
57.07073	4.5
65.03928	2.1
67.05492	54.3
69.03407	2.6
69.07056	14.8
70.39120	2.4
71.04964	3.5
71.08622	3.7
79.05480	25.1
80.05833	0.7
80.32547	0.5
80.93698	0.6
81.03403	33.8
81.07040	57.7
83.04959	6.8
83.08606	18.5
83.09118	0.8
84.26355	0.6
85.02895	12.7
85.06527	1.8
85.10143	1.1
91.05466	23.4
93.07030	21.8
95.04949	16.5
95.08590	35.0
95.89555	0.5
97.02880	1.7
97.06499	3.0
97.10153	5.1
99.08060	1.5
103.52386	0.6
105.07013	16.2
107.04922	4.4
107.08573	11.4
109.02866	0.6
109.06506	3.3
109.10142	14.6
111.04418	1.5
111.08061	5.8
111.11703	0.7
113.05994	1.6
113.09651	1.0
117.06993	2.4
119.08554	16.2
121.06509	1.5
121.10130	10.1
123.04386	3.3
123.08042	1.8
123.11678	7.0
125.09608	1.9
129.06989	5.9
131.08539	6.4
133.06476	1.3
133.10098	9.9
135.08011	1.2
135.11668	4.1
137.09616	1.5
137.13216	1.6
139.11212	0.5
142.07777	1.7
143.08487	1.2
145.10115	3.3
147.08047	1.8
147.11674	9.5
149.09586	2.8
149.13223	2.9
155.08469	0.8
157.10071	7.8
159.11725	1.5
161.13228	2.6
163.11128	1.8
163.14822	1.9
165.12753	2.1
173.09688	1.0
175.11172	7.2
175.14848	2.2
177.16391	0.6
189.11250	0.7
189.16353	1.2
193.12216	27.6
194.12679	0.6
211.13260	30.3
217.12172	0.8
221.08467	0.6
227.12724	1.1
235.13197	3.2
245.22604	2.0
249.14854	1.1
263.23703	4.0
267.15881	6.4
285.17068	0.8
303.26834	0.8
337.27328	6.2
437.34369	1.2
455.35150	2.4
473.36017	1.5
502.25681	0.8
529.38715	11.1
547.39856	100.0
548.40204	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	547.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89152	0.4
53.03933	3.5
53.99801	0.5
55.01855	2.3
55.05502	18.9
57.03429	6.3
57.07061	4.4
59.04987	1.1
65.03932	2.6
67.05493	56.9
69.03412	1.8
69.07053	14.8
69.57565	0.9
69.57900	5.0
71.04982	4.2
71.08610	2.4
77.12168	0.5
79.05478	25.1
81.03403	32.0
81.07040	55.0
83.04967	6.6
83.08602	18.1
85.02374	0.7
85.02888	13.9
85.06528	2.8
85.10139	0.7
87.10258	0.6
87.26890	0.5
91.05463	25.3
93.07027	23.3
95.04948	16.6
95.08590	32.6
95.79775	0.6
96.08929	0.7
97.02859	1.5
97.06499	4.4
97.10155	5.8
99.08079	1.2
101.06013	0.6
105.07015	18.2
107.04906	2.6
107.07898	0.8
107.08578	13.0
109.06511	3.6
109.10134	14.4
111.04426	1.9
111.08067	6.5
111.11673	0.7
113.05949	1.1
115.05418	1.1
117.07008	3.2
119.04843	0.5
119.08560	16.9
119.46104	0.5
121.06481	1.3
121.10127	10.6
123.04423	1.1
123.08052	1.9
123.11683	6.4
125.06022	0.7
125.09600	1.7
127.11147	0.6
129.06982	5.5
131.08559	6.0
133.06470	1.6
133.10098	10.7
134.81429	0.6
135.08008	0.7
135.11656	4.6
137.09544	1.4
137.13217	2.1
141.06920	0.7
142.07724	1.4
143.08539	1.3
145.10101	3.3
147.08028	2.2
147.11655	10.8
149.09590	2.9
149.13249	2.4
151.11169	0.9
151.14786	0.8
153.12794	0.7
155.08563	1.1
157.10081	6.8
159.11653	1.8
161.13216	2.2
163.11182	1.0
163.14798	1.6
165.12735	1.5
169.10233	0.5
171.11658	1.3
173.13229	1.2
175.11177	7.5
175.14809	2.0
177.12630	0.5
183.11627	0.9
185.13339	0.9
187.14798	0.8
189.11157	1.2
189.16309	1.1
193.12206	27.3
199.14810	0.8
203.18004	0.6
211.13246	32.5
213.16496	0.5
227.12573	1.1
235.13329	1.6
245.22607	1.5
249.14847	1.1
263.23703	3.7
267.15872	5.8
285.16837	1.2
287.23746	0.7
303.26703	1.2
319.26389	1.2
337.27206	5.0
338.36325	0.5
343.26175	0.7
417.39151	1.6
437.34003	1.8
455.34650	2.4
473.36264	1.1
511.38141	0.9
529.38776	11.6
530.38928	0.9
547.39874	100.0
548.40198	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	547.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99080	0.3
54.43298	0.3
55.05502	0.6
57.07065	1.5
65.03932	0.9
66.75284	0.3
67.05492	2.9
69.07044	0.9
69.21488	0.3
71.02773	0.3
71.08613	1.6
75.74921	0.3
76.36694	0.3
79.05470	0.3
81.07049	1.8
83.04973	1.1
83.08650	0.4
85.10157	0.8
88.27674	0.3
91.05474	0.4
93.07024	0.5
95.04962	0.9
95.08578	1.7
98.20625	0.7
103.05453	1.5
109.06480	0.3
109.10161	0.5
111.04420	0.8
111.81543	0.3
114.19941	0.4
115.05398	0.5
121.02837	0.8
129.06985	0.6
131.04921	7.7
135.04419	0.4
139.03864	0.5
143.04907	0.6
145.06467	1.3
149.05936	0.9
155.14279	0.6
159.04385	8.8
159.06416	0.4
161.06056	0.5
171.04355	0.3
173.05948	1.8
176.04640	1.1
177.05457	19.6
178.05759	0.3
186.03098	4.1
187.03882	45.4
191.07043	1.3
203.03384	1.2
204.04144	9.8
217.04871	0.5
219.06494	100.0
220.06805	0.7
229.99858	0.4
297.18484	0.5
301.14014	0.6
305.69098	0.3
315.19418	0.7
341.17453	2.1
345.20218	0.5
394.09415	0.6
406.30215	0.9
409.11563	0.9
462.57422	0.3
547.14301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27421	0.2
55.01851	0.1
55.05493	0.3
57.07070	1.2
65.03912	0.6
67.05502	1.9
69.07037	0.3
70.16281	0.8
71.08617	1.6
79.05448	0.2
81.07033	1.4
83.04941	0.7
85.10144	0.7
91.05439	0.3
93.03326	0.2
95.04964	0.9
95.08595	1.2
96.86335	0.2
98.58027	0.1
103.05443	0.3
105.03344	0.2
105.07020	0.2
106.04137	0.2
107.04955	0.2
109.10076	0.2
111.04395	0.7
115.05441	0.4
117.06982	0.6
120.37521	0.2
121.02840	0.6
121.06471	0.3
129.06989	0.2
130.04106	0.3
131.04863	0.3
135.08002	0.2
139.03824	0.4
141.03314	0.3
143.04927	0.2
145.06488	1.6
147.04329	0.3
148.05144	0.4
155.04848	0.3
155.14287	0.8
158.03609	0.4
159.04326	0.3
160.05193	0.3
160.54665	0.2
161.05968	0.8
163.03883	6.7
163.07506	0.4
173.05940	1.5
176.04662	11.0
177.05455	2.1
187.03719	2.6
187.05090	0.6
191.03368	0.7
191.07011	1.8
201.05424	0.4
203.03380	0.8
204.04149	23.0
205.04738	0.3
205.33669	0.2
215.03363	0.7
218.87485	0.2
219.06490	100.0
220.06784	0.8
311.18488	0.4
315.19537	0.8
341.17459	2.7
357.34525	0.2
359.18353	0.3
369.74683	0.2
387.17743	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01865	1.9
55.05505	1.8
65.03918	1.1
67.05485	3.2
69.03409	1.6
69.07035	2.5
70.06569	2.2
71.04990	1.7
71.79076	1.4
72.08164	1.0
79.05489	7.2
81.03383	1.6
81.07037	2.0
83.04951	2.2
84.08081	1.1
85.02899	2.0
91.05450	4.7
93.07028	1.7
95.04952	4.3
97.06519	11.7
103.05455	5.7
105.03429	1.0
105.06313	1.9
105.07016	32.0
107.04949	1.7
109.06470	1.1
115.05443	7.6
116.06208	1.3
117.03360	1.4
118.04159	1.8
119.04924	3.9
119.08525	1.0
120.08105	1.5
121.06467	3.4
123.04420	1.4
127.03880	1.6
127.28399	0.9
129.06921	1.2
131.04886	4.4
131.08641	1.1
132.05669	1.6
133.02840	4.0
133.06459	21.3
135.04413	3.3
137.02325	1.1
137.05969	3.3
141.06996	1.0
143.04919	1.7
145.02849	2.3
145.06473	1.5
147.04385	8.3
147.08018	1.3
149.05977	1.3
151.07535	2.9
161.05940	10.7
162.06789	1.7
163.03879	13.3
163.07568	3.3
165.04269	1.1
165.05408	5.0
165.09093	2.8
167.07031	13.4
173.05952	2.3
175.07564	1.3
177.05420	5.0
178.06245	6.8
179.07022	10.6
181.04919	3.4
181.08545	1.1
185.60411	1.0
187.03862	10.6
188.04697	2.6
191.07045	1.8
193.07112	0.9
193.08577	39.1
194.09355	100.0
195.09862	2.1
197.19696	1.0
201.05440	12.5
207.08002	1.0
209.08104	1.0
217.08638	1.4
233.06030	1.8
234.06801	2.5
235.07538	2.9
247.07562	1.7
248.08403	1.2
249.05557	1.8
249.09070	2.1
251.07077	1.4
262.06259	3.6
263.07050	4.3
273.05405	1.2
276.07831	7.5
277.08578	6.3
279.06503	1.9
280.07309	2.9
287.12650	2.0
294.08896	2.2
295.09692	2.5
304.07452	2.1
305.07950	5.1
309.14975	1.2
313.10605	1.0
313.14124	1.2
321.07492	1.3
322.08359	3.7
327.15857	1.0
331.15485	3.0
337.10666	21.1
337.14151	1.5
355.11697	82.8
355.15277	4.9
373.16180	1.4
401.11450	1.1
547.22070	4.6
547.32025	1.7
551.44739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
54.90876	0.6
55.01846	1.6
55.05494	1.0
57.03414	1.0
67.05476	2.5
69.03401	1.1
69.07052	1.0
71.04966	1.0
71.81432	1.1
79.05485	6.3
81.03380	1.0
81.07041	2.6
83.04964	2.4
85.02882	1.3
89.03867	1.1
91.05466	3.6
93.07039	1.4
95.04925	2.6
95.08549	1.0
97.06516	10.3
103.05462	5.9
105.03367	1.4
105.07011	26.2
107.04922	1.5
109.10121	1.5
109.20702	0.6
111.04424	2.0
115.05439	7.0
116.06184	0.9
117.03342	1.6
117.07007	1.1
118.04153	1.6
119.04917	4.7
121.02859	0.9
121.06475	3.1
123.04389	1.2
129.07018	1.0
131.04881	4.9
132.05701	0.9
133.02806	4.5
133.06462	19.5
133.10092	0.7
134.07275	1.3
135.04405	3.2
137.05965	3.3
139.03906	0.9
143.04918	1.6
143.05974	0.8
145.02800	2.1
145.06450	2.1
146.03635	0.7
147.04417	7.2
147.08067	1.1
149.05968	2.1
150.06700	1.1
151.07513	4.4
161.02304	1.8
161.05939	9.8
162.06738	1.6
163.03871	9.3
163.07484	3.8
165.05473	3.9
165.09091	3.1
167.07037	12.4
170.07306	0.9
171.08006	1.0
173.06006	3.2
175.07455	0.7
177.05469	4.9
178.06242	4.3
179.07004	11.4
179.08499	0.5
180.07726	0.8
181.04898	4.3
181.08545	1.3
187.03882	9.2
188.04639	2.2
189.05424	2.0
189.06923	1.0
189.09152	0.7
191.07005	1.3
193.08569	38.8
194.09352	100.0
195.08054	0.9
199.07547	0.8
201.05438	12.0
206.07187	0.9
209.06006	0.8
210.08922	1.1
211.07422	1.3
213.09198	0.9
217.08401	0.9
220.05142	0.8
221.05887	1.8
221.93872	0.7
231.07996	1.0
234.06754	2.5
235.07513	2.2
236.04594	0.7
247.07915	0.8
249.05466	1.0
249.09067	1.5
259.09619	1.7
262.06223	3.4
263.07007	4.3
265.04742	0.9
265.12210	0.7
276.07709	7.8
277.08585	5.9
279.06427	2.4
280.07263	2.8
281.08072	1.1
287.12814	1.2
290.05597	0.9
293.04266	0.7
294.08807	2.2
295.09528	2.2
303.05276	0.8
304.07272	2.4
305.08060	4.5
306.08810	0.8
307.06183	1.2
309.14697	0.8
311.12793	0.8
313.10663	0.7
313.13995	0.9
321.07495	0.9
322.08292	3.4
327.15988	1.7
331.15213	0.7
337.10672	16.9
337.14316	1.1
355.11688	96.3
355.15201	5.2
356.12155	1.2
373.16443	1.5
401.11401	1.8
547.21576	4.0
547.32104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01847	2.7
55.05484	1.6
67.05487	1.0
69.03408	1.3
69.07032	1.0
70.06550	1.7
71.05767	1.5
72.27233	0.7
74.70249	0.6
76.85970	0.7
79.05495	5.1
80.04994	0.9
81.03376	0.9
81.07021	2.0
82.06566	5.2
83.04948	1.6
84.08111	2.0
85.02882	2.8
89.03877	1.1
91.05449	4.1
93.07028	1.3
95.04945	2.2
95.08611	1.0
97.06487	2.4
100.07590	11.1
102.04665	1.0
103.03922	0.7
103.05434	6.3
105.03355	2.5
105.07011	31.5
107.04932	2.0
109.02879	1.5
109.10127	0.7
110.06005	4.0
111.04402	1.1
115.05437	7.9
116.06187	1.5
117.03320	1.2
117.06968	1.3
118.04118	2.7
119.04926	4.8
121.02813	0.9
121.06480	2.3
123.04401	1.2
127.03909	2.0
128.07045	11.9
131.04889	5.8
132.05685	0.9
133.02805	3.3
133.06464	21.2
134.07257	1.5
135.04370	2.5
137.02287	4.9
137.05896	3.6
143.04878	1.3
143.05995	0.9
145.02821	1.5
145.06429	3.8
146.03598	1.6
147.04390	7.2
147.08002	1.5
149.05951	0.9
150.06714	1.8
151.07513	5.2
155.04922	1.6
159.04373	0.9
160.05125	0.7
161.05956	10.2
162.06816	1.0
163.03859	10.7
163.07536	3.2
164.34836	0.7
165.05484	3.9
165.09122	4.1
167.07005	16.1
173.05997	5.0
175.07497	1.5
177.05453	2.5
177.09117	0.9
178.06230	6.6
179.03238	0.8
179.06979	10.2
181.04913	5.9
181.08516	1.0
187.03859	15.6
187.07384	0.7
188.04684	4.5
189.05453	3.1
193.08565	46.1
194.09348	100.0
195.09727	1.3
201.05437	16.7
206.07211	1.2
207.06409	0.9
207.08141	0.9
210.08705	1.3
221.05928	0.9
234.06668	2.7
235.07466	1.0
249.09203	0.9
258.11267	2.4
262.06268	0.8
263.07059	1.8
272.11237	1.2
276.07736	1.8
277.08600	2.4
279.06531	1.3
280.07224	9.6
281.07953	2.0
287.05576	0.9
290.12402	1.4
293.20871	0.8
294.08926	1.6
295.09589	7.1
295.70966	0.6
297.07678	0.9
305.08063	2.1
312.09888	0.8
313.10461	1.5
322.08316	1.0
323.08859	1.3
327.11945	1.0
337.10770	3.4
337.14145	0.9
355.11691	91.7
356.11972	2.4
426.13824	1.3
501.16486	3.6
529.21790	2.2
547.22510	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	546.9856
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39137	0.5
69.47107	3.1
69.47534	2.3
72.89907	0.4
94.92999	75.7
96.92829	0.5
98.21381	1.0
104.44767	0.5
109.91692	4.5
140.87549	0.5
142.41248	0.5
148.88046	1.7
167.64388	0.4
202.89035	0.7
204.87003	100.0
205.25854	0.5
212.85130	0.8
214.66360	0.6
246.36269	0.5
338.87024	0.7
462.16748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
54.90876	0.6
55.01846	1.6
55.05494	1.0
57.03414	1.0
67.05476	2.5
69.03401	1.1
69.07052	1.0
71.04966	1.0
71.81432	1.1
79.05485	6.3
81.03380	1.0
81.07041	2.6
83.04964	2.4
85.02882	1.3
89.03867	1.1
91.05466	3.6
93.07039	1.4
95.04925	2.6
95.08549	1.0
97.06516	10.3
103.05462	5.9
105.03367	1.4
105.07011	26.2
107.04922	1.5
109.10121	1.5
109.20702	0.6
111.04424	2.0
115.05439	7.0
116.06184	0.9
117.03342	1.6
117.07007	1.1
118.04153	1.6
119.04917	4.7
121.02859	0.9
121.06475	3.1
123.04389	1.2
129.07018	1.0
131.04881	4.9
132.05701	0.9
133.02806	4.5
133.06462	19.5
133.10092	0.7
134.07275	1.3
135.04405	3.2
137.05965	3.3
139.03906	0.9
143.04918	1.6
143.05974	0.8
145.02800	2.1
145.06450	2.1
146.03635	0.7
147.04417	7.2
147.08067	1.1
149.05968	2.1
150.06700	1.1
151.07513	4.4
161.02304	1.8
161.05939	9.8
162.06738	1.6
163.03871	9.3
163.07484	3.8
165.05473	3.9
165.09091	3.1
167.07037	12.4
170.07306	0.9
171.08006	1.0
173.06006	3.2
175.07455	0.7
177.05469	4.9
178.06242	4.3
179.07004	11.4
179.08499	0.5
180.07726	0.8
181.04898	4.3
181.08545	1.3
187.03882	9.2
188.04639	2.2
189.05424	2.0
189.06923	1.0
189.09152	0.7
191.07005	1.3
193.08569	38.8
194.09352	100.0
195.08054	0.9
199.07547	0.8
201.05438	12.0
206.07187	0.9
209.06006	0.8
210.08922	1.1
211.07422	1.3
213.09198	0.9
217.08401	0.9
220.05142	0.8
221.05887	1.8
221.93872	0.7
231.07996	1.0
234.06754	2.5
235.07513	2.2
236.04594	0.7
247.07915	0.8
249.05466	1.0
249.09067	1.5
259.09619	1.7
262.06223	3.4
263.07007	4.3
265.04742	0.9
265.12210	0.7
276.07709	7.8
277.08585	5.9
279.06427	2.4
280.07263	2.8
281.08072	1.1
287.12814	1.2
290.05597	0.9
293.04266	0.7
294.08807	2.2
295.09528	2.2
303.05276	0.8
304.07272	2.4
305.08060	4.5
306.08810	0.8
307.06183	1.2
309.14697	0.8
311.12793	0.8
313.10663	0.7
313.13995	0.9
321.07495	0.9
322.08292	3.4
327.15988	1.7
331.15213	0.7
337.10672	16.9
337.14316	1.1
355.11688	96.3
355.15201	5.2
356.12155	1.2
373.16443	1.5
401.11401	1.8
547.21576	4.0
547.32104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25890	0.6
55.01850	1.3
55.05498	3.6
57.03417	2.8
57.07059	3.0
59.04951	0.5
62.06056	0.7
65.03918	0.6
67.05486	6.8
69.03391	0.4
69.07054	5.1
70.06553	0.6
71.04966	1.1
71.08617	5.8
71.81094	0.7
79.05474	3.9
81.06587	0.9
81.07035	11.0
83.04954	1.1
83.08602	3.3
85.06512	1.3
85.10172	0.5
91.05466	3.3
93.07024	6.2
95.04939	2.2
95.08583	8.3
97.06506	2.7
97.10122	1.4
98.98460	2.8
99.08084	2.3
105.03365	2.6
105.06998	5.9
106.03687	0.6
107.04928	0.8
107.08561	6.4
109.06492	7.4
109.10130	2.7
111.08066	1.3
117.07005	0.8
119.08563	7.3
121.02828	0.8
121.06494	0.7
121.10139	4.7
123.08040	12.0
123.11672	2.1
125.09608	1.2
131.04918	0.7
131.08528	2.0
133.10086	6.5
135.08025	6.1
135.11670	1.6
137.09616	1.0
137.13213	1.0
143.08511	0.6
145.10112	3.2
147.11624	3.9
149.09627	2.5
149.13197	2.4
154.12303	0.4
157.10091	1.2
159.07985	0.6
159.11646	1.7
161.09573	1.2
161.13211	1.1
163.03931	0.5
163.11154	1.0
165.12724	1.5
167.14275	1.6
169.09935	0.6
169.15874	0.8
171.11644	0.9
173.02240	0.5
173.13232	1.6
175.11082	0.6
175.14781	5.6
177.05374	2.8
177.12688	2.9
177.16577	0.5
179.14268	20.7
181.04860	2.2
187.14812	0.6
189.05501	1.5
191.14326	0.6
193.12302	0.6
193.15843	0.9
198.05328	0.8
205.04906	5.6
205.15855	3.2
216.06270	1.7
221.15422	0.6
227.03548	0.5
231.15871	0.8
233.19038	0.6
263.20065	1.6
275.19992	0.6
277.21375	0.6
289.21521	5.0
289.24591	0.8
293.21170	2.4
303.26770	1.4
319.22595	1.2
321.20361	0.5
331.26260	11.3
337.23700	1.1
347.25934	0.6
349.27350	5.0
351.95615	0.6
361.27206	0.8
369.28012	1.1
374.30542	2.0
375.28912	1.3
376.15192	0.6
387.28839	4.4
405.29910	100.0
406.30322	1.1
503.27518	5.3
528.30286	0.7
546.31000	2.7
558.62128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01842	1.2
55.05498	5.6
57.03191	0.4
57.03427	3.9
57.07054	1.6
62.06092	0.7
67.05493	8.1
69.03411	0.4
69.07058	7.3
70.06562	0.6
71.04967	1.3
71.08617	5.2
71.78713	0.5
79.05482	4.9
81.03407	0.4
81.07038	12.5
82.07374	0.3
83.04962	1.4
83.08607	4.0
85.06513	1.1
91.05462	5.0
91.33934	0.3
92.05810	0.4
93.07027	7.4
94.07361	0.4
95.04935	1.4
95.08585	10.4
97.06501	2.0
97.10158	1.3
98.98438	2.8
99.08080	2.0
105.07009	7.0
107.04938	0.4
107.08570	8.4
109.06499	6.4
109.10136	3.7
111.08052	1.2
115.07593	0.4
117.06995	1.4
119.08565	9.1
121.06496	1.0
121.10123	5.4
123.08048	13.9
123.11681	2.2
124.01627	0.3
125.09602	1.6
129.06944	0.4
131.08560	2.2
133.10103	7.7
135.08025	7.6
135.11691	2.7
136.73123	0.4
137.09558	1.1
137.13234	1.1
143.08531	0.8
145.10127	3.0
147.08020	0.6
147.11653	5.2
149.09583	2.1
149.13205	2.3
151.11157	0.5
151.14793	0.5
153.35312	0.3
157.10088	1.8
159.11705	2.4
161.09593	1.8
161.13206	1.4
163.11185	0.9
163.14731	0.5
165.09062	0.4
165.12694	1.1
167.14305	1.4
171.11658	0.5
173.02097	0.5
173.09595	0.6
173.13243	1.3
175.11032	0.4
175.14798	5.9
177.12740	2.8
177.16414	1.1
179.14276	21.4
185.13237	0.7
187.14828	0.8
189.12775	0.4
189.16371	0.4
191.14249	1.1
192.14871	0.3
193.12234	0.5
193.15834	1.8
197.13248	0.5
198.05214	0.7
199.14803	0.5
203.14294	0.5
205.15816	3.4
216.06308	1.5
217.15872	0.6
219.17491	0.8
221.15437	0.6
223.16772	0.6
231.15752	0.6
231.17810	0.4
233.18939	0.4
240.87959	0.3
243.21449	0.3
247.20554	0.8
261.22137	0.8
263.20078	1.2
267.16080	0.5
271.20444	0.4
275.19995	0.9
289.21628	6.6
289.24869	0.7
289.87430	0.4
293.21057	2.5
303.26764	1.9
313.25314	0.4
313.64783	0.3
319.22510	1.2
331.26263	12.6
337.23792	1.1
347.25800	1.2
349.23575	0.5
349.27380	5.8
357.27731	0.7
361.27237	0.7
366.02994	0.4
369.27982	1.2
374.30569	2.0
375.28918	1.6
376.19019	0.5
380.17972	0.6
387.28787	5.9
405.29916	100.0
406.30237	1.3
423.30951	0.4
485.26611	1.2
503.27490	5.7
528.37372	1.1
546.31403	2.7
546.38892	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	546.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54554	0.6
53.03940	2.2
57.03439	1.3
61.02915	1.8
62.36304	0.5
63.17163	0.5
66.91447	0.6
69.03416	9.6
71.04977	3.1
71.79522	0.9
73.02914	2.1
81.03401	8.5
85.02889	57.3
86.09709	1.0
87.04462	0.5
91.03944	0.7
97.02876	17.8
99.03772	1.3
99.04436	33.4
103.03925	78.1
109.02151	1.1
109.02860	14.6
115.03941	0.8
121.02809	0.6
127.03891	100.0
128.04237	0.7
145.04933	50.5
161.26645	0.7
163.05991	62.6
169.04915	1.2
180.08636	0.8
184.56120	0.6
187.06027	5.4
205.07088	3.6
223.33961	0.9
240.08600	6.6
247.11714	1.0
253.07133	1.4
271.08051	10.8
289.09137	12.9
304.62408	0.6
307.10184	24.7
349.10913	1.2
349.14868	11.0
415.12003	0.9
451.14404	1.0
461.02997	0.6
546.18335	1.4
546.71161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12446	1.3
53.03934	3.0
55.01857	4.4
55.05503	22.5
57.03432	7.8
57.07058	9.5
57.62476	1.8
65.03920	2.1
66.59432	1.5
67.05495	56.7
69.03406	5.8
69.07056	15.9
71.04980	4.9
71.08619	7.9
71.83057	1.9
75.73294	1.6
79.05018	2.6
79.05476	34.5
81.03400	27.2
81.07043	57.2
83.04951	5.7
83.08607	19.2
85.02895	2.2
85.06481	2.7
85.10181	3.1
91.05466	28.3
93.07030	35.7
95.04961	17.4
95.08598	41.5
97.06512	3.7
97.10157	18.0
99.08031	1.7
105.07018	25.2
107.04932	5.0
107.08582	25.0
109.06522	7.3
109.10136	18.6
111.08060	4.7
117.07006	11.3
119.04907	2.8
119.08552	21.0
121.06490	5.5
121.10139	18.3
122.00913	1.6
123.08014	4.7
123.11674	6.2
125.09615	12.6
128.06207	1.6
129.06995	8.0
131.08530	18.5
133.06499	2.2
133.10085	16.0
135.08032	3.7
135.11673	12.7
137.09561	3.5
137.13245	2.3
139.86882	1.8
141.06993	1.7
143.08533	6.7
145.06566	1.7
145.10089	11.4
147.07986	3.9
147.11671	12.7
149.09586	3.8
149.13205	7.4
155.08572	3.8
155.14250	2.6
157.10123	8.1
159.08109	2.3
159.11639	12.0
161.13222	3.5
163.11137	2.9
163.14749	3.7
169.10042	3.7
171.11661	6.1
173.13254	7.0
175.11163	5.4
175.14691	3.6
183.11670	4.2
185.13182	5.6
187.11009	1.6
187.14799	4.9
189.11176	6.6
193.12202	11.4
197.13268	1.9
199.14777	3.6
201.12791	2.0
201.16350	3.7
203.17773	1.6
205.12206	2.0
211.13185	5.8
227.12770	9.3
233.15483	2.3
237.18520	2.0
243.21092	3.0
259.20520	2.5
261.22076	11.7
267.15881	16.8
279.23001	2.1
285.22003	3.0
287.20059	4.2
299.23474	3.5
301.25150	11.6
303.23151	2.9
319.22607	1.6
327.26517	1.9
335.25729	19.0
355.26196	3.7
359.25580	2.9
373.27213	3.1
391.32150	3.5
403.24945	1.8
417.31586	1.9
421.25830	2.8
435.32556	3.8
441.46021	1.6
453.33615	12.0
471.34702	7.7
509.35733	1.7
527.37122	43.2
528.37128	2.1
536.31683	1.7
545.38171	100.0
546.38477	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.9
55.01851	5.0
55.05503	24.3
57.03432	9.1
57.07051	3.1
61.32093	1.2
65.03925	2.7
67.05493	49.2
69.03407	2.3
69.07055	12.6
70.15091	6.3
71.04976	3.9
79.05012	2.0
79.05477	35.0
79.08834	1.2
81.03394	24.0
81.07040	53.2
83.04958	3.6
83.08605	17.1
85.02876	1.3
85.06515	2.8
90.79346	1.1
91.05470	27.2
93.07030	35.2
94.09761	1.1
95.04955	17.7
95.08589	33.7
97.06516	4.7
97.10153	16.6
99.08039	1.1
105.07011	27.1
107.04927	4.8
107.08572	25.2
109.06496	4.1
109.10136	21.4
111.08063	4.2
115.05436	1.8
117.06998	11.7
119.08553	22.0
121.06500	5.3
121.10133	15.3
123.08082	6.0
123.11684	6.9
125.09591	11.9
128.06212	1.3
129.06984	6.4
131.08540	20.7
133.10115	17.1
135.08025	5.8
135.11670	9.8
137.09572	2.4
137.13246	1.7
140.61292	1.1
141.06940	2.7
142.07751	2.5
143.08530	6.8
143.27979	1.1
145.06526	1.6
145.10098	15.2
147.07961	3.1
147.11662	11.0
149.09601	3.2
149.13208	5.7
153.09117	1.8
155.08510	3.6
157.10124	9.9
159.11696	11.5
161.09636	2.4
161.13216	7.4
163.11177	3.1
163.14836	2.3
167.08588	1.3
169.10104	3.7
171.11697	4.7
173.13239	9.1
175.11162	4.3
175.14885	3.3
177.12804	1.6
181.10094	2.8
183.11655	3.6
185.13280	4.8
187.13362	1.5
187.14844	5.1
189.11171	8.2
189.16379	1.6
193.12236	8.8
197.13239	1.9
199.14859	2.4
201.16396	2.2
205.12245	2.0
209.13330	1.9
211.13181	1.7
213.16454	1.5
221.15263	1.6
227.12717	12.4
233.15303	1.9
243.21167	2.9
247.16937	2.1
261.18484	1.5
261.19360	1.6
261.22073	10.7
267.15869	22.2
275.19998	1.6
279.23254	1.5
285.22183	4.2
287.20093	2.2
289.21796	1.3
299.23663	2.4
301.21838	1.5
301.25128	12.9
315.23203	2.0
317.24692	2.6
329.21024	1.5
335.25803	18.0
341.24606	2.2
357.27841	1.8
359.25812	2.7
387.24548	1.3
403.24951	1.6
415.28317	1.8
417.26337	1.4
417.31610	2.6
421.26001	3.1
435.27264	3.9
435.32590	6.6
453.33652	13.2
459.30795	1.5
461.29001	1.9
471.34698	7.4
509.36066	3.2
527.37262	59.6
528.37866	1.8
545.38306	100.0
546.38916	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01862	2.9
55.05502	20.4
57.03426	8.1
57.07055	1.4
59.04985	0.8
65.03928	2.4
67.05495	43.9
69.03426	2.7
69.07061	10.9
71.04974	4.2
71.63381	0.8
76.46361	0.8
79.05482	37.0
80.05811	1.4
81.03406	29.3
81.07042	40.2
83.04964	6.0
83.08608	16.7
85.02897	12.2
85.06543	2.5
86.09727	1.0
91.05460	31.4
91.06023	1.6
93.07027	37.1
95.04955	17.6
95.08591	25.8
95.09182	1.6
97.02856	1.0
97.06514	3.0
97.10152	8.6
98.21378	1.7
99.08107	1.2
103.05437	1.2
104.10735	2.9
105.07013	24.6
107.04943	3.2
107.08575	18.9
109.06507	2.6
109.10139	10.5
111.01273	0.8
111.08046	6.9
113.05959	0.8
115.05489	1.3
117.07013	7.0
119.08563	18.5
120.98689	0.8
121.06507	3.0
121.10125	15.9
123.08033	2.1
123.11714	3.3
125.09637	4.1
127.07549	0.8
129.06976	6.2
131.08539	15.7
133.06445	1.9
133.10109	11.5
135.08055	1.8
135.11676	8.3
137.09602	2.0
137.13301	1.0
142.07808	1.5
143.08540	3.5
145.10098	8.4
147.08081	1.7
147.11656	10.8
149.09601	3.2
149.13235	3.9
155.08569	2.0
157.10091	7.0
159.11624	6.1
161.09750	1.0
161.13240	4.4
163.11179	1.9
163.14848	1.6
163.54004	0.7
165.12775	0.9
169.10110	2.1
171.11688	3.3
173.13252	4.6
175.11142	5.8
175.14825	1.7
181.10170	1.0
183.11659	2.2
184.07361	2.0
185.13237	2.4
187.14818	2.5
189.11255	3.5
189.12755	0.9
189.16391	0.7
193.12209	25.0
193.13977	1.5
195.11694	0.8
197.13361	1.7
199.14838	1.7
201.16408	1.3
209.13184	1.0
211.13254	25.0
212.13673	0.9
213.14801	1.0
227.12700	4.8
243.21126	1.8
247.16750	1.1
249.14845	0.9
261.22049	5.0
267.15814	9.2
273.18326	1.0
285.22156	1.0
299.23758	0.8
301.25214	6.0
303.23416	0.9
305.20972	0.7
315.29749	0.7
317.24722	1.4
327.22989	0.9
329.21332	1.1
335.25873	7.8
341.24884	1.0
359.26117	0.9
417.31580	1.1
435.32632	3.7
453.33398	5.9
471.34576	3.7
482.47760	0.8
509.36313	1.4
527.37238	23.7
528.37689	1.6
545.38324	100.0
546.38757	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.01852	2.9
55.05501	19.8
57.03429	7.2
57.07061	2.4
65.03928	2.3
67.05492	46.4
69.03412	2.4
69.07052	10.2
69.57348	0.7
70.07577	4.8
71.04991	4.1
71.05319	0.7
77.03930	0.9
78.84641	0.6
79.05479	44.1
79.59856	0.7
81.02924	1.3
81.03403	29.1
81.07040	42.9
83.04962	7.0
83.08602	13.3
85.02890	13.4
85.06531	2.1
91.05463	33.6
93.07028	37.1
95.04945	18.0
95.08592	25.0
97.02875	1.6
97.06515	5.1
97.10146	5.9
98.20596	0.8
99.08076	1.1
105.04520	1.0
105.07008	21.7
107.04949	2.8
107.08577	16.7
109.06528	3.8
109.07166	0.9
109.10137	10.7
111.04436	1.5
111.08078	5.1
113.05990	1.2
115.05465	1.6
117.06982	7.3
119.08564	20.1
121.06487	1.9
121.10125	17.4
121.10944	1.3
123.08064	2.4
123.11709	2.7
125.09608	2.3
129.06976	6.9
131.08539	13.7
133.06480	2.0
133.10097	10.5
135.08067	0.8
135.11685	5.3
142.07802	2.0
143.08539	2.2
145.10092	7.6
147.08076	1.4
147.11647	9.5
149.09601	3.5
149.13200	3.5
155.08549	1.7
155.60001	0.9
157.10095	8.4
159.11647	5.1
161.13214	2.3
163.11198	0.8
163.14804	1.3
165.12704	1.6
167.08546	0.9
169.10048	1.0
171.11707	1.5
173.13246	3.1
175.11165	7.1
175.14815	2.0
183.11685	1.2
185.13318	0.9
187.14809	2.0
189.11205	2.0
193.12207	26.2
197.13342	1.3
199.14792	0.9
209.13322	0.9
211.13257	31.8
227.12834	2.2
249.14853	1.0
256.24005	0.8
261.22067	5.2
265.53098	0.8
267.15860	6.3
275.50391	0.7
285.21915	1.1
299.23654	0.9
301.25247	2.7
317.24677	1.1
321.93994	0.8
335.25763	3.9
359.25940	1.0
435.32397	3.0
453.33588	3.6
471.34439	1.4
521.17328	0.8
527.37225	13.6
533.31439	0.8
545.38300	100.0
546.38861	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	545.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01847	4.8
55.05502	24.8
57.03419	10.0
57.07052	3.8
59.04976	1.6
63.56925	1.1
65.03934	2.2
66.47683	1.0
67.05491	57.0
69.03404	3.8
69.07056	13.9
71.04993	2.9
71.57501	1.2
71.57823	1.7
79.05478	30.7
81.03403	24.5
81.07041	49.0
82.26220	1.1
83.04958	5.4
83.08602	19.3
83.25620	1.0
85.02860	1.4
85.06507	2.0
91.05463	27.6
93.07027	31.2
95.04953	17.7
95.08593	29.2
97.06504	3.8
97.10157	18.2
97.60437	1.0
99.08063	1.4
103.05460	1.4
105.06330	1.4
105.07012	22.4
107.04945	5.2
107.08572	23.6
109.06515	3.9
109.10127	20.1
111.08047	3.7
115.05450	2.1
117.06985	10.2
118.95937	1.3
119.08563	21.4
121.06488	8.4
121.10136	16.1
123.08060	4.9
123.11703	6.9
125.09605	13.0
128.06218	1.9
129.06976	10.0
131.07533	1.2
131.08534	22.0
133.06534	1.7
133.10095	17.3
135.08032	5.7
135.11659	8.5
137.09598	3.4
137.10626	1.1
137.13219	2.8
141.07008	1.7
142.07733	1.4
143.08546	6.8
145.06471	2.1
145.10095	14.5
147.08041	3.7
147.11671	8.3
149.09572	4.3
149.13214	6.0
151.11137	1.9
155.08475	3.1
157.10069	7.6
159.08061	1.4
159.11667	12.0
161.09608	1.8
161.13187	5.2
163.11147	2.7
163.14767	3.6
169.10094	3.3
171.11652	5.0
173.09573	2.6
173.13184	7.1
175.11174	4.6
175.14798	4.5
181.10013	1.5
183.11688	3.6
185.13251	4.1
187.14771	2.9
189.11203	7.5
189.12712	2.1
189.16431	1.4
193.10611	1.5
193.12192	8.1
197.13257	2.2
199.14816	2.2
201.12582	1.3
201.16356	2.0
209.13257	1.2
211.13165	1.2
227.12726	13.7
233.15300	1.6
243.20988	3.4
247.16933	2.4
249.14662	1.6
261.22092	10.8
267.15903	23.3
275.20142	1.9
277.21875	1.5
279.23273	2.0
283.24185	1.7
285.22089	3.5
287.19989	1.9
299.23788	3.5
301.25140	14.5
303.23224	1.5
317.24796	1.8
329.21152	1.9
329.24918	1.3
335.25769	17.1
359.25754	2.1
374.31485	1.2
417.26511	1.7
417.31619	2.0
421.25861	3.8
425.01736	1.2
435.27100	3.3
435.32645	6.7
453.33484	13.9
461.28778	1.4
471.34772	8.0
509.35956	2.8
527.37231	53.5
545.38293	100.0
546.38306	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.01842	4.0
55.05500	19.3
57.03425	6.5
57.07057	1.8
58.73786	0.9
60.71029	0.8
65.03913	2.5
67.05491	39.7
69.03412	3.4
69.07055	11.0
71.04972	5.0
71.57320	2.0
71.63911	0.8
79.05012	2.1
79.05477	42.6
81.03406	34.8
81.07040	44.4
83.04970	7.9
83.08601	15.4
85.02882	15.0
85.06529	2.2
91.05463	34.1
93.07024	40.5
95.04948	18.7
95.08588	24.7
97.02863	1.0
97.06515	5.7
97.10123	4.6
99.08069	1.2
105.07005	25.0
107.04929	2.8
107.07882	1.5
107.08572	18.8
109.06502	3.4
109.10129	11.2
110.96239	0.9
111.04443	1.7
111.08051	6.2
113.06020	1.6
115.05427	1.3
117.07002	5.7
119.08561	17.7
121.06467	1.5
121.10116	18.8
123.08010	1.4
123.11686	4.5
125.09599	3.6
128.06238	1.2
129.06982	7.2
131.08531	15.5
133.06506	1.7
133.10088	10.3
135.08081	1.0
135.11687	8.7
137.09547	1.1
142.07715	1.5
143.08519	2.6
145.10091	7.2
147.11662	13.1
149.09587	2.3
149.13246	3.6
151.11195	1.0
151.86551	0.8
155.08551	0.9
157.10095	8.0
159.11678	5.8
161.13298	4.2
165.12779	2.6
169.10074	1.7
171.11717	1.9
173.13246	3.5
175.11153	6.3
175.14926	1.1
183.11630	2.1
185.13309	1.0
187.14810	1.3
189.11227	2.1
193.12216	29.6
197.13287	1.1
209.13202	1.0
211.13249	31.1
217.10291	0.9
227.12788	2.4
243.21246	1.4
261.22064	4.9
267.15799	5.9
285.21964	1.4
301.25290	2.9
335.25861	3.9
359.25659	2.1
389.67645	1.1
417.31638	1.5
435.32550	3.7
453.33658	3.5
471.34381	1.5
509.36008	2.4
527.37323	14.5
545.38293	100.0
546.38562	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	545.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21419	0.6
52.79087	0.8
53.03943	4.2
53.37660	0.6
54.09164	0.6
55.01850	2.4
55.05499	21.5
57.03426	7.4
57.07048	1.8
59.04982	0.7
65.03920	3.0
67.05491	48.2
69.03414	3.3
69.07056	11.0
70.29809	0.7
70.96783	1.9
71.04971	4.8
79.05477	45.2
80.12630	0.6
81.03402	34.9
81.07040	45.9
82.07394	0.6
83.04961	7.4
83.08604	16.4
85.02891	17.3
85.06514	2.7
88.30474	0.6
90.69565	0.6
91.05461	34.6
92.80833	0.7
93.07025	43.4
95.04382	1.2
95.04955	21.2
95.08589	30.1
97.02859	1.5
97.06503	4.2
97.10152	5.8
99.04463	0.9
99.08089	1.4
105.04508	1.0
105.07008	26.8
107.04932	3.8
107.08572	21.4
109.06517	4.3
109.10135	10.8
111.04417	0.7
111.08057	6.7
113.06004	1.3
113.09605	0.7
115.05396	1.3
117.07007	7.1
119.08556	20.1
121.06500	1.6
121.10122	20.2
123.08007	1.9
123.11703	2.9
125.06197	0.6
125.09634	4.5
128.06213	1.1
129.06984	7.8
130.07614	0.5
131.07625	1.1
131.08545	14.9
133.06474	2.0
133.10101	12.4
135.08041	1.1
135.11653	9.2
137.09560	1.6
137.24934	0.6
140.62775	0.6
141.06923	0.6
142.07774	1.5
143.08533	2.2
145.10104	6.4
147.08044	2.1
147.11659	12.2
149.09656	3.3
149.13251	3.9
155.08586	1.8
157.10097	8.2
159.08078	0.7
159.11674	5.1
161.13222	4.1
163.11188	1.2
163.14824	1.3
165.12645	0.6
169.10080	1.2
171.11655	1.9
173.13235	4.3
175.11162	8.4
175.14717	1.2
179.14336	0.7
183.11734	1.7
185.13255	1.5
187.14803	2.7
189.11215	1.3
193.12206	28.4
197.13301	1.3
199.14716	0.8
211.13249	30.9
217.15782	0.7
227.12805	2.2
243.20926	1.2
261.22101	5.4
267.15936	4.9
267.21368	0.7
269.89282	0.6
285.16953	1.1
299.23773	0.9
301.25204	3.3
303.23441	1.0
306.66623	0.6
317.24728	1.2
335.25684	4.5
359.25684	1.0
371.04578	0.6
435.32703	2.6
453.33466	2.7
471.34747	2.3
496.53839	0.7
527.37286	14.2
528.37842	0.7
545.38287	100.0
546.38635	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	545.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38280	1.2
55.01857	2.7
55.05486	1.4
57.03415	5.7
64.72616	1.4
67.05484	3.3
68.99776	3.3
69.03421	6.7
69.07043	3.6
70.06569	4.3
70.07542	8.8
71.04981	32.1
73.02890	2.2
75.04453	1.5
75.18742	1.2
79.05473	2.3
81.03391	3.4
81.07029	3.4
83.04948	6.6
85.02892	40.8
85.25448	1.2
87.04410	1.8
91.05448	3.8
95.04972	4.2
97.02913	3.3
97.06504	2.6
103.05442	2.4
105.03364	1.4
107.08542	2.3
109.02847	2.4
109.10133	1.3
111.00788	1.5
111.04408	6.4
111.41354	1.5
112.07579	2.7
115.05431	2.2
120.08042	1.9
121.02844	2.6
123.04401	2.7
127.03892	2.0
129.05473	7.2
131.04910	3.4
131.08565	1.7
132.05650	2.7
132.23518	1.4
133.10150	2.0
135.04431	1.8
137.02310	2.9
139.03918	1.6
140.07019	1.8
141.06918	2.1
143.08487	1.3
145.04910	1.7
147.04359	4.1
151.03879	1.8
153.01801	100.0
153.06921	2.8
157.06497	2.4
160.05128	3.8
161.05974	5.5
163.03831	2.4
163.07652	1.3
165.01802	4.6
166.06107	1.7
171.02834	2.3
171.08022	2.6
173.05971	3.4
175.03860	1.9
175.07512	4.2
177.01836	2.4
177.05428	3.9
181.06413	2.6
183.02927	3.0
187.03844	2.7
187.07442	2.5
187.11095	1.7
189.05421	2.6
189.09085	3.9
191.03323	2.5
191.07011	5.2
192.07811	12.8
195.02888	17.0
199.07491	4.7
201.05421	4.6
201.09018	2.1
201.12714	1.7
203.03392	2.9
213.15913	1.3
215.06958	3.1
217.04955	3.5
217.08551	3.6
219.02817	4.3
227.07027	4.8
229.04848	1.6
229.08646	7.6
229.12157	2.1
231.06403	2.2
245.04417	5.0
245.08148	5.2
247.13322	3.2
249.16313	1.4
255.06532	9.7
257.04373	1.7
263.05438	6.8
273.04553	2.0
273.07538	34.9
282.05249	2.7
285.03922	4.3
286.04639	2.0
297.07458	1.9
298.04633	4.8
299.05301	1.9
303.04861	1.8
306.05164	1.4
309.20233	1.4
311.05392	5.1
311.09103	5.1
313.03506	7.4
317.07867	1.5
324.06155	1.8
325.07108	2.5
326.04083	2.9
327.04910	5.8
334.04672	2.0
335.09079	4.0
337.06927	3.7
339.08737	2.0
340.05646	1.7
341.06552	13.4
341.10223	2.6
342.06714	2.0
353.10223	8.1
355.08063	24.6
363.08594	4.2
371.11096	2.2
381.09619	37.0
383.10919	2.1
397.09186	1.8
399.10699	68.7
400.11005	3.0
405.09637	3.2
411.10370	2.0
423.10623	5.5
441.11813	3.5
465.11835	2.5
509.14136	3.5
521.10236	1.5
527.15466	3.9
545.33014	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	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01856	2.3
55.05499	13.8
55.87753	0.4
57.03422	3.2
57.07056	1.4
58.84187	0.3
59.01347	0.4
59.04985	0.9
65.03919	1.3
67.05493	24.1
69.03416	1.2
69.07056	7.4
70.06593	0.4
70.34181	1.7
71.04999	2.1
71.05302	0.4
71.08627	0.7
71.49033	0.3
73.06555	0.4
75.29734	0.3
79.05479	16.4
80.49023	0.3
81.03403	6.3
81.07040	19.9
83.04972	2.7
83.08598	7.2
85.02893	0.6
85.06535	1.8
91.05467	16.7
93.07025	15.1
95.04946	6.6
95.08589	12.1
97.06519	2.0
97.10147	6.6
98.21424	0.5
99.08083	1.0
103.05455	0.8
105.03391	0.5
105.04541	0.3
105.07009	17.2
105.90192	0.4
107.04941	2.3
107.08576	9.9
109.06499	2.6
109.10141	7.6
111.08080	1.8
113.09608	0.4
115.05433	1.6
117.06998	11.5
119.07705	0.8
119.08560	13.6
121.06478	2.2
121.10126	6.1
123.08070	1.4
123.11655	1.8
125.09607	5.0
128.06186	2.2
129.06978	8.9
130.07735	1.1
131.04915	0.8
131.08542	15.4
133.06502	1.7
133.10103	8.4
134.53563	0.3
135.08020	2.3
135.11673	3.4
137.09618	1.6
141.06963	3.1
142.07774	2.2
143.08536	9.7
143.09610	0.7
145.06468	2.4
145.10098	13.0
147.07965	1.8
147.11664	6.1
149.05951	0.7
149.09633	1.7
149.13222	1.6
153.06964	0.9
153.09036	0.4
154.07732	0.7
155.08510	5.9
156.09326	1.0
157.06493	1.0
157.10095	10.5
159.08064	2.6
159.11662	8.9
161.09615	1.5
161.13228	3.6
163.11179	0.8
165.06992	0.8
166.07689	0.5
167.08551	2.1
168.09320	0.8
169.10086	6.3
170.10851	0.5
171.08049	1.9
171.11661	8.1
172.12207	0.5
173.09599	1.8
173.11720	1.1
173.13264	5.3
175.11137	1.7
175.14822	0.8
177.05444	0.6
177.12733	0.6
179.08565	0.9
179.14339	0.4
180.09392	0.5
181.10095	3.6
181.11629	0.4
181.12169	0.4
182.10808	0.8
182.70007	0.4
183.11647	5.7
184.12224	0.4
185.09631	1.7
185.13235	5.9
187.11197	1.3
187.13335	0.6
187.14751	2.6
189.11208	2.3
189.12651	0.7
193.10147	1.1
193.12239	2.4
194.10884	0.4
195.11659	3.1
196.12463	0.7
197.09616	0.6
197.13239	3.8
199.11189	1.5
199.14745	3.1
201.12732	1.1
201.16405	1.1
203.14297	0.8
207.11684	1.1
209.13184	2.8
211.11316	0.6
211.13217	0.7
211.14906	2.5
213.12755	0.9
213.16393	1.9
215.14325	0.6
221.13277	1.3
223.14754	1.9
225.12955	0.4
225.16405	1.5
227.12584	2.1
227.17929	0.8
229.14185	0.8
229.23506	0.4
233.13187	0.6
233.15419	0.6
235.14885	0.8
237.16435	0.9
239.17973	0.9
241.15822	0.7
241.19539	2.0
243.15811	0.7
247.17024	0.9
251.17970	0.6
257.18909	0.9
259.20526	4.5
263.17908	0.5
265.19702	0.5
267.15866	2.8
267.21313	0.5
271.16803	0.6
277.21875	0.6
279.21078	0.6
281.18970	0.5
283.17493	0.4
283.20422	1.9
285.18585	0.7
295.20670	0.5
297.18695	0.7
297.22131	2.1
299.20285	0.8
299.23538	4.1
301.21558	1.0
309.22098	0.8
313.18060	0.4
313.21579	1.1
315.19537	0.4
315.23199	1.3
321.21930	0.8
325.21512	0.7
327.23215	0.7
331.22336	0.7
333.24286	2.4
335.23730	1.0
337.25287	0.4
339.23212	1.1
343.22784	0.9
349.25311	0.5
353.24860	0.7
353.69775	0.4
357.24252	1.2
367.26074	0.5
371.25708	0.7
405.31668	0.8
407.24265	0.5
415.29926	1.9
423.32245	1.9
433.30975	6.3
434.31042	0.6
441.33710	0.6
451.32053	8.3
452.32544	0.5
469.33139	4.5
471.32230	0.4
487.34186	0.9
489.33234	1.0
499.34109	0.4
507.34668	1.5
515.37097	2.1
525.35669	20.2
526.35779	1.3
543.36755	100.0
544.37115	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	543.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17717	0.4
64.85770	0.5
67.10372	0.4
70.16970	0.9
70.17376	1.9
92.14977	0.5
94.92982	0.7
98.21332	0.8
102.53631	0.5
137.78171	0.5
146.52533	0.5
183.39244	0.4
204.87051	0.6
212.85045	0.6
273.40414	0.4
313.63400	0.5
363.06772	3.0
381.07870	14.1
543.13147	100.0
544.13635	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	543.3673
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03939	1.2
53.14994	0.4
53.75658	0.4
55.01860	2.2
55.05501	13.1
57.03423	3.9
57.07075	2.1
59.04984	0.7
60.68592	0.4
65.03930	1.3
67.05492	22.7
67.96480	0.4
69.03409	1.2
69.07054	7.6
70.12890	2.0
70.13316	0.8
71.04973	1.8
71.08555	0.4
71.57349	0.4
79.05016	0.5
79.05480	13.8
81.03403	5.5
81.07043	18.1
83.04954	2.4
83.08604	7.0
85.02891	0.8
85.06526	1.5
85.80746	0.4
91.05461	14.6
93.07025	13.4
95.04960	6.0
95.08592	10.7
97.06521	1.9
97.10152	7.5
98.20743	0.7
99.08086	0.8
103.05431	0.5
105.07014	13.7
107.04924	2.3
107.08572	8.0
109.06486	1.2
109.10143	7.0
111.08059	1.6
112.18456	0.5
115.05440	1.4
116.06235	0.4
117.07001	8.6
119.04969	0.5
119.08563	11.6
121.06453	2.1
121.09327	0.6
121.10117	4.5
123.08039	1.6
123.11707	1.7
125.09608	4.6
126.85915	0.5
128.06195	1.4
129.06985	7.6
130.07794	0.5
131.04922	0.5
131.08553	13.1
131.09543	0.8
133.06471	1.7
133.10100	8.9
135.08018	2.5
135.11676	3.0
137.09595	1.2
141.06953	2.6
142.07745	1.6
143.08536	8.8
144.09123	0.6
145.06488	2.3
145.10092	10.7
147.08043	1.4
147.11667	5.0
149.09602	2.0
149.13252	1.2
151.11246	0.8
153.06972	0.8
155.08513	5.8
156.09380	0.5
157.06477	0.5
157.10117	7.5
159.08038	3.3
159.11659	6.9
161.09633	0.8
161.13202	2.6
163.11148	1.3
165.12650	0.5
166.07835	0.5
166.33051	0.5
167.08556	2.0
169.10100	5.7
171.08011	1.3
171.11665	7.5
173.09604	1.7
173.11797	1.0
173.13177	4.5
175.11192	1.8
175.14842	1.4
177.05469	1.1
177.12692	0.7
179.08566	0.8
181.10085	3.8
183.08063	0.8
183.11691	4.5
185.09648	1.2
185.13219	5.3
187.03790	0.5
187.11159	1.8
187.13254	0.5
187.14772	2.5
189.05428	0.5
189.11211	2.1
189.12726	0.7
193.10129	1.3
193.12212	2.0
195.11613	2.9
197.09618	1.1
197.13240	3.3
199.11142	1.6
199.14775	3.5
201.12746	1.4
201.16356	0.8
205.04906	0.7
205.10138	0.5
207.11662	1.1
209.13232	2.4
211.11305	0.6
211.14824	2.8
213.12732	1.1
213.16440	1.2
215.03433	0.7
215.14337	0.8
219.11742	0.7
221.13264	1.1
223.14821	1.5
225.16376	0.9
227.12474	2.1
229.14313	1.1
233.15356	0.5
235.14818	1.4
237.16354	0.8
239.14465	0.5
239.17967	0.9
241.15959	0.7
241.19511	1.4
243.15787	0.6
247.14848	0.7
247.17145	0.5
257.18988	0.6
259.20605	3.9
267.15823	3.9
271.17108	0.9
271.20416	0.5
281.22772	0.7
283.17282	0.6
283.20493	2.0
285.22073	1.0
295.20544	0.8
297.22134	1.9
299.20355	0.8
299.23627	3.9
301.21640	0.8
309.21948	0.8
311.20084	0.6
311.23514	0.6
313.21625	0.6
315.23080	1.4
321.21875	0.6
323.23825	0.6
325.21765	0.9
327.23212	1.1
333.24252	1.4
335.23709	0.7
339.23120	1.3
343.04620	0.5
353.24756	1.2
355.26425	0.6
357.24161	1.0
369.20554	1.5
371.25818	0.7
403.24823	0.5
405.31540	0.7
415.30017	2.2
423.32516	1.8
431.28030	0.7
433.30917	6.9
451.31989	7.9
469.33307	3.9
487.33960	1.1
489.33624	0.5
499.33838	0.9
507.34628	2.0
515.37262	2.4
525.35724	19.5
526.35992	1.2
543.36743	100.0
544.37183	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	542.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20397	0.3
61.07165	0.2
70.08198	0.5
70.08615	1.1
79.05475	1.1
82.93919	0.2
83.61364	0.2
85.02891	0.4
89.03905	0.3
89.65478	0.2
91.05454	0.9
93.07016	1.1
94.86544	0.2
95.04958	0.4
98.21384	0.3
103.05434	5.7
107.04921	2.1
119.04943	1.5
120.08075	100.0
121.08409	0.8
131.04887	2.6
135.04370	1.0
136.06226	0.4
137.05920	0.8
147.04370	2.0
149.05962	2.1
151.07707	0.2
163.03873	1.5
166.08598	57.3
167.06967	0.8
167.08939	0.6
177.05424	0.2
179.06990	2.4
277.39557	0.2
311.11182	0.4
370.98404	0.2
375.74265	0.3
399.79315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.6
51.02367	1.1
51.18830	0.4
53.03935	4.8
55.01858	2.8
55.05498	20.1
57.03424	2.0
57.07062	5.0
58.06593	0.4
58.07390	0.5
65.03919	5.3
67.05489	66.6
68.05818	0.4
69.03408	1.6
69.07051	14.5
70.06565	2.7
71.04985	3.1
71.08612	2.5
71.12136	0.3
73.02878	0.5
73.06527	1.0
74.19825	0.4
77.03925	1.3
79.05474	79.6
80.05809	0.5
80.06245	0.4
81.03403	7.1
81.07036	53.6
82.07362	0.5
83.04483	0.8
83.04960	10.0
83.08599	8.2
85.02849	0.4
85.06506	2.2
85.10159	0.8
88.07600	4.5
89.07933	0.7
91.05457	56.0
93.07021	70.2
94.07337	0.8
95.04947	20.6
95.08584	38.3
96.08910	0.5
97.02878	0.8
97.06506	5.0
97.10142	4.0
99.08075	1.1
102.09152	3.3
103.05449	0.8
104.06242	0.4
105.04508	2.2
105.07003	42.6
106.07369	0.6
107.04923	5.2
107.08564	27.7
109.06500	5.4
109.10130	11.0
110.10538	0.4
111.08073	1.8
113.05936	0.4
113.09628	0.5
115.05430	1.5
117.06989	10.0
117.07768	0.7
118.20524	0.4
119.08551	24.2
121.06499	1.7
121.10114	18.8
123.08047	4.1
123.11689	2.3
125.09610	0.9
127.07546	1.1
128.06189	2.5
129.06976	11.7
130.07774	1.0
131.08539	9.4
133.06537	0.5
133.10095	13.8
135.08043	0.6
135.11659	8.8
137.09579	0.8
137.13252	0.7
139.11160	0.6
141.06976	0.9
141.09068	0.6
142.07715	0.5
143.08521	8.4
145.10091	12.4
147.08029	1.5
147.11649	29.7
148.12080	0.5
149.13232	3.8
151.11079	0.5
155.08542	1.1
156.09236	0.8
157.10136	1.6
159.11653	5.3
161.09583	3.8
161.13213	11.8
161.14482	0.7
162.13556	0.4
163.11186	0.8
163.14810	1.4
167.08583	0.4
169.10138	1.7
171.11649	23.0
173.13168	3.0
175.14764	1.2
177.12737	0.7
179.14339	1.0
181.10051	0.6
183.11676	1.7
185.13254	1.1
187.11122	0.5
187.14703	1.8
189.12695	9.9
189.16371	0.5
195.11693	0.9
197.13245	1.3
197.29039	0.4
199.14854	0.8
207.13756	25.1
209.13257	0.6
211.14796	0.7
225.14696	2.7
237.16360	0.5
243.21141	1.0
256.26276	6.2
257.26633	5.2
261.22083	4.3
271.20523	0.5
275.27744	0.6
281.17407	2.1
283.26257	1.6
284.26581	1.2
284.29547	0.9
285.29813	1.3
297.21896	0.5
299.23798	0.5
311.23697	0.4
311.29346	4.6
312.29733	5.0
315.22815	0.5
317.24725	1.6
335.25797	0.5
390.58820	0.4
449.33994	1.8
467.35052	0.6
485.36169	0.7
505.36444	0.4
518.83307	0.4
523.37683	1.3
540.53369	0.9
541.38812	100.0
541.53229	28.4
542.39185	5.8
564.24951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01862	2.9
55.05500	16.7
57.03431	1.7
57.07054	1.2
59.04978	0.7
65.03918	1.3
67.05491	19.6
67.55075	0.3
69.03427	1.7
69.07055	6.9
70.06588	0.5
71.04973	1.5
71.10278	0.5
71.10628	0.7
79.05476	15.8
81.03397	3.3
81.07042	15.4
81.07533	0.6
83.01334	0.4
83.04965	2.9
83.08154	0.6
83.08604	8.1
85.06524	0.8
91.05460	12.4
93.07030	10.7
95.04952	4.8
95.08588	8.8
97.06506	1.9
97.10144	9.8
97.10768	0.5
99.08131	0.3
103.05438	0.7
105.07006	12.2
107.04929	2.0
107.08576	9.0
109.06485	1.9
109.10133	6.4
111.04416	0.4
111.08063	1.5
114.90768	0.3
115.05423	1.6
116.06238	0.4
116.15259	0.3
117.06254	0.6
117.07001	7.5
119.04905	0.6
119.08557	8.4
121.06533	1.6
121.10124	3.4
123.08026	1.5
123.11687	0.9
125.09611	8.1
128.06187	2.7
129.06973	9.2
130.07797	0.5
131.04927	0.3
131.08533	11.2
133.06451	0.9
133.10114	5.0
135.08017	2.6
135.11649	2.4
137.09586	0.5
141.06979	3.7
142.06830	0.3
142.07724	2.0
143.08531	10.3
144.09294	0.6
145.06509	2.1
145.10098	8.6
147.07970	1.9
147.11661	2.7
149.09599	1.1
153.07002	1.2
153.09081	0.9
153.12740	0.5
154.07722	1.3
155.08517	7.2
156.09296	1.4
157.06477	1.3
157.10101	8.3
159.08061	2.6
159.11674	4.5
161.09567	0.9
161.13202	0.9
163.11166	2.1
163.77042	0.3
165.06987	1.0
166.07739	0.9
167.08539	3.6
168.09297	0.9
169.06450	0.9
169.10091	7.5
170.10847	0.7
171.08061	2.0
171.11630	7.8
173.09590	1.5
173.11784	0.7
173.13187	3.5
175.11188	1.0
175.14798	0.4
178.07800	0.4
179.08534	1.6
180.09326	0.8
181.10088	5.0
181.11850	0.6
181.12117	0.5
182.10837	0.6
183.08084	1.6
183.11661	5.8
185.09622	1.8
185.13225	5.3
187.11137	1.5
187.13277	0.3
187.14810	1.3
189.11195	4.6
189.12717	0.4
192.09418	0.4
193.10080	2.1
193.12047	0.3
194.10919	0.8
195.11656	4.0
197.09520	1.1
197.13239	4.1
199.11215	2.0
199.13124	0.6
199.14761	2.8
201.09137	0.4
201.12683	0.4
203.08655	0.3
203.10553	0.4
205.10112	0.9
206.10931	0.7
207.11664	2.5
209.09689	0.7
209.11496	0.6
209.13220	3.7
211.11159	1.3
211.14752	1.8
213.12753	1.1
213.16409	1.1
219.11668	1.0
221.09621	0.4
221.13242	2.6
223.11263	0.4
223.14844	2.1
225.12704	0.9
225.16342	1.0
227.12602	4.4
227.14694	0.7
231.11670	0.5
233.13295	0.9
235.14786	1.3
237.12646	0.8
237.16286	0.9
239.14262	0.7
239.17943	0.7
241.15895	0.8
241.19368	0.4
247.14746	0.5
249.16370	0.6
251.14395	0.3
251.18127	0.5
253.15813	0.6
253.19460	0.5
255.17513	0.6
257.18942	1.0
259.20596	0.9
261.16351	0.4
263.14453	0.3
263.17911	1.0
264.29773	0.4
267.15997	0.3
269.18796	0.4
269.22595	0.6
271.16922	0.7
273.18637	0.4
275.20084	1.0
277.16275	0.3
277.19537	0.9
279.18015	0.4
279.21121	0.9
281.18896	1.6
285.18646	0.6
293.19046	0.6
295.20563	1.5
297.18723	0.8
297.22052	7.9
299.19974	0.7
305.19028	0.5
307.20566	0.7
309.18390	0.4
311.20062	0.8
313.21524	1.0
315.23233	0.8
319.20398	0.8
323.20093	0.9
325.21518	0.4
331.22308	0.4
335.23779	0.5
337.21552	1.2
339.23242	0.6
341.21164	0.7
349.21396	0.7
351.23068	0.6
353.24606	1.1
355.22641	0.7
369.24149	0.8
375.47025	0.3
403.30017	0.8
413.28342	1.1
421.26224	0.4
421.30820	1.7
431.29251	5.3
439.31964	0.5
443.27679	0.5
449.30365	9.4
459.27063	0.7
467.31488	5.0
485.32620	2.6
487.32010	0.6
497.32523	0.4
505.33054	1.0
513.35681	1.0
523.34106	12.7
541.35162	100.0
542.35736	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.4
69.03421	0.8
69.60734	4.4
70.06564	0.6
79.05449	0.9
81.53705	0.5
85.02869	1.5
91.05451	4.5
94.04177	1.0
97.02884	0.8
103.05441	5.2
105.07008	2.4
107.04929	1.1
115.05441	2.3
117.06991	1.9
119.08556	7.3
122.03615	2.8
128.06194	1.3
129.06995	2.9
131.04903	13.4
132.05722	4.6
133.06479	0.9
137.05951	58.2
139.42091	0.4
141.06949	0.9
145.06435	1.2
147.08012	9.3
157.06439	0.8
160.05138	3.6
161.05949	0.9
163.07513	31.5
169.06409	1.3
175.07512	100.0
186.06709	1.3
187.07500	2.1
189.08998	0.7
193.08559	4.9
201.09093	1.4
219.10083	0.5
287.98343	0.5
325.14316	11.3
337.99411	0.6
343.15436	3.9
366.73785	0.5
442.72464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01970	0.4
52.51627	0.4
61.36823	0.4
64.50935	0.5
69.03393	1.5
69.85844	0.5
71.78226	0.4
71.78683	0.7
79.05477	0.9
85.02882	1.7
90.59640	0.5
91.05462	5.3
94.04187	1.4
97.02858	0.7
103.05444	7.1
104.06241	1.0
105.07038	2.4
107.04947	1.7
109.02846	0.6
109.06482	0.7
115.05443	3.4
117.06985	2.4
119.08557	7.5
121.02871	0.5
121.06561	0.5
122.03635	3.7
123.08070	0.5
127.03891	0.6
128.06198	2.3
129.06963	3.5
131.03928	1.0
131.04901	15.5
132.05716	5.5
133.06445	1.6
135.08127	0.5
137.05956	61.8
141.06926	0.6
145.06480	1.3
147.08018	9.5
157.06473	0.8
159.07985	0.8
160.05170	4.8
161.05882	0.8
163.07515	32.1
169.06488	0.8
175.07518	100.0
176.07895	0.6
186.06767	1.0
187.07565	1.1
189.09106	1.0
193.08562	3.9
201.09050	1.8
278.11856	0.5
293.11566	0.8
325.14301	12.4
328.22131	0.5
343.15295	3.8
344.62283	0.5
435.87421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26062	0.3
53.03928	0.8
55.01871	0.8
61.23377	0.4
62.06904	0.3
62.23998	0.4
62.36765	0.4
65.03927	3.2
68.99796	0.3
69.03419	1.7
70.08508	2.0
71.01346	0.5
71.04958	0.4
79.05486	1.2
79.67584	0.4
81.03403	7.6
85.02890	2.1
93.03414	0.3
95.04953	3.0
97.02885	3.2
98.20798	0.4
99.04420	0.6
103.05468	1.2
105.07014	37.3
109.02862	3.9
111.04414	3.5
121.02846	95.5
122.03175	0.4
122.09644	15.6
127.03892	3.4
137.02321	100.0
139.03886	6.9
139.51968	0.3
145.04909	0.6
148.07542	1.0
149.76111	0.4
170.15442	0.3
198.14925	0.5
258.11215	92.3
259.11530	0.9
265.04449	0.6
265.07016	6.3
283.08084	3.5
420.16470	3.2
437.10754	6.7
457.26968	0.4
539.40601	0.5
540.18616	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	539.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.1
55.05491	23.6
57.03428	18.8
57.07068	54.8
58.94172	2.5
59.05001	3.8
67.05484	24.7
69.07049	16.1
71.04962	4.8
71.08620	39.5
79.05486	23.3
81.03374	9.8
81.07042	38.4
81.58589	3.3
83.01308	8.6
83.04985	17.2
83.08607	23.4
85.02873	4.4
85.09709	2.7
85.10179	18.2
91.05457	16.4
93.07027	27.9
95.04962	7.9
95.08592	31.7
97.06508	6.9
97.10120	8.5
98.21497	5.5
99.04416	3.6
105.07005	9.1
107.04931	10.5
107.08599	14.3
109.06474	8.7
109.10141	12.8
111.04421	4.0
111.08060	4.1
117.06997	10.2
119.08569	10.7
121.10117	9.9
123.08046	7.6
131.08534	5.7
135.08040	3.9
135.11661	9.7
137.13252	4.1
145.10146	15.9
147.07971	3.2
153.12724	6.8
155.08565	4.4
163.11169	29.5
173.09547	5.8
181.12244	3.9
191.10648	9.2
209.11766	13.9
215.28778	2.7
224.37204	2.9
227.05376	3.1
227.12791	15.6
230.01279	3.6
237.70677	3.0
239.23706	3.6
256.26187	5.2
268.53091	3.4
283.15341	96.3
313.27332	100.0
521.38342	59.6
539.38666	18.6
540.53387	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	538.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.05497	0.7
55.06039	0.3
57.07067	2.5
67.05239	0.3
67.05499	3.0
69.03410	1.1
69.07066	1.8
70.84617	0.8
71.08618	0.5
76.97372	0.3
79.05473	1.5
81.03406	1.1
81.07042	29.2
83.08595	0.3
85.02889	6.7
93.07022	0.8
95.04996	0.3
95.08591	36.1
97.02888	2.1
99.01040	0.3
99.04427	3.7
103.03928	9.9
109.02879	1.1
109.10146	2.0
120.08090	1.2
121.02814	0.5
127.03892	10.4
137.02284	2.3
137.13229	100.0
138.13557	1.4
145.04944	6.8
163.05983	9.7
187.05981	0.5
188.71729	0.3
197.15341	26.5
205.07108	0.5
253.36551	0.3
256.09561	1.4
271.08078	1.3
289.09219	1.0
307.10202	6.5
356.25018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1507
Annotation	Didmolamide A
Peak:m/z	Relative Intensity
53.03926	1.4
67.05471	0.8
69.03404	1.5
71.11365	1.3
78.03418	1.1
79.05466	0.7
81.03407	3.8
81.07032	0.8
85.02889	1.5
86.72732	0.4
91.05470	2.0
95.04943	1.3
96.04464	1.5
97.02871	1.2
98.97569	0.8
99.04453	0.6
105.03372	11.9
105.06989	0.8
106.02903	7.1
107.04919	0.6
109.02840	2.2
109.10129	0.8
116.98605	1.1
118.06523	0.8
119.04914	1.7
119.05982	0.5
121.02837	2.8
122.81115	0.5
124.03930	35.1
127.03902	2.5
134.99660	0.8
136.07559	3.8
137.02321	50.2
137.03349	1.9
137.05901	0.8
147.04379	1.3
151.03856	0.5
151.07547	2.6
161.16695	0.5
167.10799	0.4
177.05482	0.5
219.01703	0.7
237.02797	1.7
250.07085	2.2
254.08054	1.4
258.07553	0.7
268.08124	34.0
272.09286	1.0
272.12778	4.6
311.07837	1.1
386.08551	1.8
404.09756	3.3
413.10925	0.7
479.12173	0.7
521.15320	0.9
539.15277	100.0
540.15558	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	538.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40640	0.2
52.50548	0.3
54.78046	0.2
54.93531	0.2
61.90052	0.2
70.06580	0.7
70.37794	1.2
72.88980	0.3
79.05472	0.7
91.05444	0.5
93.07044	1.4
95.04951	0.5
95.49165	0.3
98.20803	0.4
103.05444	6.0
107.04940	2.4
110.27924	0.3
117.03387	0.3
118.30241	0.3
120.08083	100.0
121.08415	1.2
127.57340	0.2
131.04915	2.1
135.04398	0.6
136.07469	0.2
139.03880	0.3
147.04399	0.4
149.05949	1.9
158.97260	0.3
163.03873	2.9
164.04221	0.4
166.08607	56.6
167.08894	0.9
375.06976	0.3
376.13931	0.5
538.18634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.9
56.05016	0.4
57.07061	1.2
59.05001	0.2
67.05480	0.9
69.07062	2.1
69.46370	2.9
71.08614	1.8
76.73306	0.3
79.05518	0.3
80.80698	0.2
81.04518	0.4
81.07025	1.1
83.08611	0.4
84.04456	0.3
85.10153	0.8
91.05824	0.3
93.07014	0.3
95.04962	0.4
95.08601	1.4
97.04015	0.3
98.20663	0.5
101.09933	0.2
103.13808	0.3
105.03367	2.9
105.07013	0.2
107.02422	2.4
107.08601	0.3
108.77825	0.3
109.10122	0.7
123.05531	0.9
130.06511	0.5
132.08107	0.3
135.05467	0.4
143.07304	0.4
144.08078	1.0
156.08134	0.7
158.09627	3.9
160.07561	0.8
168.08040	0.5
169.07607	0.5
170.05925	0.3
172.07515	0.3
184.06227	1.3
184.07607	0.6
185.07039	2.5
185.10699	0.5
186.09128	1.4
187.08661	0.6
206.18988	0.3
207.17430	0.8
210.07874	0.3
210.18521	0.9
213.06894	0.3
213.10199	7.5
224.10732	0.3
227.08130	1.0
229.13367	0.9
241.09680	0.8
255.11375	0.5
276.02097	0.2
277.10690	0.2
299.05966	0.5
300.06262	0.5
322.21585	0.3
339.20624	7.1
359.24979	0.3
361.31067	1.7
361.35086	0.3
365.25772	0.5
367.23737	100.0
368.24033	1.4
383.26791	1.3
537.25116	0.8
537.40808	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	20.3
57.07066	31.4
59.13005	2.9
67.05498	17.6
69.07060	43.7
71.08629	34.8
71.80988	6.1
79.05464	3.5
81.07058	26.2
82.18200	3.6
83.08601	18.5
85.10167	13.8
91.05434	5.2
93.07055	4.2
95.04973	5.0
95.08577	21.5
97.10174	3.8
105.03378	10.2
105.07028	5.2
107.04971	3.8
115.05367	3.7
129.06981	3.4
131.04950	7.1
133.02852	4.4
135.04320	4.3
141.06966	3.9
145.06404	3.7
146.48618	3.3
147.04391	12.8
153.41016	3.9
155.14317	14.4
157.06480	7.4
159.04349	8.0
161.02306	7.8
161.05922	5.3
162.03198	5.2
163.03893	18.1
165.06976	4.7
167.05547	3.8
169.06445	5.6
173.05997	11.2
175.03912	15.5
177.05423	3.3
183.04433	5.0
185.05902	5.0
187.03859	15.4
187.07516	8.0
189.05508	8.0
191.03363	9.7
193.04942	19.6
197.06039	10.0
199.03822	5.7
201.05460	20.8
201.09195	4.8
203.03362	88.6
207.02876	51.1
211.07480	6.3
213.05450	7.0
215.03358	70.6
215.07050	5.9
217.04976	5.6
219.03065	4.0
221.09662	3.8
225.09068	4.9
227.06944	4.4
229.05115	5.9
229.08524	5.0
239.06989	8.1
241.08546	3.3
253.08560	4.6
257.08002	5.9
271.16830	3.5
273.18536	4.1
275.20020	4.4
281.15283	12.2
299.06131	5.7
299.16391	60.7
300.06213	5.5
309.14822	15.3
317.17657	4.8
327.15869	55.2
343.55038	3.8
345.16910	100.0
416.03519	4.2
537.29657	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2114
Annotation	Gomisin G
Peak:m/z	Relative Intensity
51.10885	0.2
59.40662	0.3
63.02370	0.5
71.00636	0.5
71.00981	0.4
78.04665	0.6
81.07069	0.2
88.62272	0.2
89.03903	11.0
91.05447	1.4
94.04130	0.3
95.04922	0.5
95.77088	0.2
103.05465	0.9
105.03387	0.4
106.04156	0.5
115.05460	0.5
117.03361	30.0
117.07055	0.4
118.03690	0.4
119.04934	0.5
121.06490	0.3
122.03624	0.5
124.05180	0.3
128.06232	0.7
129.06985	1.9
131.04903	1.1
131.08563	2.8
134.03601	2.6
135.04381	1.9
137.05960	6.1
141.06963	1.9
143.04906	0.2
144.05688	0.5
145.02824	62.1
146.03168	1.0
148.56943	0.2
149.05956	10.5
151.07503	2.7
157.06410	1.7
158.06007	0.6
158.07234	0.7
159.08046	1.7
160.05241	0.3
162.03094	0.3
163.03844	0.8
163.07516	1.5
169.06448	1.3
170.07222	0.5
173.05966	0.3
174.06740	4.7
175.07555	1.5
177.05443	100.0
178.05807	1.7
186.05377	2.9
186.06793	1.0
187.07510	0.9
188.08269	0.3
189.09081	8.4
190.93666	0.2
191.10590	0.8
195.06523	1.0
201.09074	4.9
204.04105	0.3
219.10133	41.4
220.10484	0.5
229.08571	0.3
233.09647	0.3
234.79294	0.2
251.93648	0.3
261.09134	0.2
293.11636	0.6
299.05911	0.4
325.14316	2.5
409.72159	0.3
453.43112	0.3
487.36932	0.2
507.91196	0.3
553.93787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94156	0.8
55.05486	2.9
57.07065	5.7
67.05486	3.6
69.07037	2.5
70.06568	1.0
71.08604	3.0
71.82483	1.0
73.73344	0.8
79.05460	1.4
81.07034	3.4
83.08602	2.3
84.04449	1.5
85.10171	1.1
87.04432	0.8
91.05800	1.5
95.08566	3.6
97.10167	1.2
109.02858	1.0
109.10088	1.0
112.50073	0.8
133.10106	1.6
138.05481	4.5
156.06473	1.3
167.05481	2.1
182.18849	0.8
189.29164	0.8
191.08543	1.7
207.08084	2.0
209.09596	1.2
219.08023	1.5
220.20570	0.9
221.05891	2.2
222.06738	1.4
224.08264	2.4
225.09087	2.6
233.05902	3.1
235.07466	1.4
236.08284	2.4
237.09070	23.8
238.21602	17.7
247.07672	1.6
248.08318	1.4
249.05325	2.5
249.09071	2.8
251.10609	2.1
252.07755	2.5
253.08568	10.9
263.06982	2.9
264.07849	1.7
265.08551	59.2
266.05960	1.0
266.08945	1.2
267.06796	1.7
267.10123	18.6
279.10110	5.5
280.10895	84.8
281.08038	43.4
282.08820	2.3
283.02905	1.0
294.08691	1.1
295.09668	0.9
296.10367	45.9
299.06100	4.8
304.93301	0.9
306.10947	1.0
306.98318	0.9
308.09091	7.2
310.20068	2.4
311.12729	44.3
323.11414	1.3
332.57724	0.9
338.13797	60.5
338.19595	3.5
344.97528	0.9
351.88947	0.8
354.16898	14.7
364.20905	0.9
375.03427	0.9
500.33481	1.1
504.31189	1.0
536.33588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.4
58.06605	0.4
60.08155	5.6
61.60917	0.2
67.05489	0.8
69.72184	1.2
69.72601	0.4
71.00843	0.2
71.07359	2.5
74.70309	0.2
76.88548	0.2
79.05476	0.2
81.07042	0.8
86.09692	28.8
91.05808	0.4
93.07027	0.5
95.08590	0.4
96.46608	0.2
98.20663	0.2
98.98454	2.2
104.10066	0.3
104.10723	3.2
124.99985	19.6
143.01044	0.3
145.79407	0.2
154.52298	0.2
167.05527	0.5
170.27567	0.2
173.54608	0.2
184.07315	100.0
185.07643	0.4
203.54086	0.2
258.10876	0.2
299.05997	1.4
300.06174	0.2
455.16156	0.4
500.31076	1.1
518.32355	6.9
536.18744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
53.49371	0.9
54.84168	0.9
55.01865	7.1
55.05501	6.2
57.03435	1.1
57.07066	23.0
57.87451	0.9
60.08144	1.1
62.50153	1.0
67.05493	12.5
69.07058	12.5
70.40929	2.6
70.41346	2.5
71.08620	24.5
73.59646	0.9
74.56441	0.9
79.05461	4.8
80.05021	2.3
81.03428	1.7
81.07038	22.3
83.04947	1.3
83.08613	5.3
85.10162	14.4
86.09693	3.9
87.10036	1.1
91.05444	18.6
93.07012	6.4
94.02908	3.6
94.06563	1.4
95.04954	14.5
95.08595	20.4
96.04523	1.6
97.10152	1.0
103.05461	3.5
105.03362	2.8
105.07022	2.0
106.06532	2.6
107.04936	52.2
107.08572	2.7
108.04452	2.4
109.02848	1.2
110.02373	2.4
110.06055	1.4
111.04444	1.7
119.04926	39.6
120.04457	3.9
120.05735	4.8
121.02869	2.9
121.06483	12.3
122.02390	7.4
122.06023	3.4
123.04410	36.5
124.03925	4.1
125.00004	3.1
125.06030	1.3
132.04477	1.3
132.08098	1.4
133.05180	1.2
133.06348	1.2
134.06012	5.6
135.04401	1.2
135.06793	4.1
135.11594	1.2
136.03908	2.6
136.07576	12.6
137.02362	1.6
137.13223	1.3
138.05447	6.4
139.03868	1.0
140.03378	1.7
145.06473	2.1
146.05980	35.0
147.04399	15.2
147.06786	1.2
148.03905	1.7
148.07573	3.7
150.05493	2.5
152.03387	1.2
153.12726	4.1
155.14290	5.6
158.05995	1.8
159.06833	1.5
160.07547	3.5
161.73114	1.0
162.05504	4.1
164.03491	1.0
164.07054	1.2
164.54416	0.9
165.05460	16.8
165.06793	1.7
167.05573	1.7
172.07558	5.4
176.03424	1.5
176.06985	1.5
178.04988	2.5
180.02769	1.0
182.04526	1.3
182.06021	1.2
182.08162	2.3
183.06755	1.5
184.07317	14.0
185.07687	2.9
186.07761	3.0
186.09189	2.4
188.07077	2.8
192.06500	2.0
194.04448	1.9
198.05579	1.4
198.09085	1.8
199.06207	1.4
199.76265	1.1
200.07024	11.2
200.10684	3.1
202.08618	3.3
203.08954	0.9
210.09059	4.6
212.05356	1.0
212.07101	4.2
212.14311	1.3
214.08597	3.9
216.10164	1.0
218.15379	1.1
226.04918	1.8
226.08601	2.1
226.94028	0.9
228.06511	19.4
228.10071	9.7
230.08089	1.6
234.07524	1.6
238.08632	4.7
238.18040	1.3
240.06639	1.2
242.08141	1.7
244.06041	1.7
244.09689	1.6
246.07561	1.2
248.06937	1.3
248.09180	4.6
248.16446	7.4
252.06793	1.1
256.06030	7.2
256.09644	40.0
266.08151	1.6
268.06030	1.9
269.06909	2.8
272.05475	1.3
272.09207	1.8
274.07162	2.4
274.10538	2.0
274.18097	2.4
276.15884	1.8
282.07678	1.5
284.09082	6.5
298.07166	1.5
299.06128	4.4
300.08658	2.0
302.10175	33.1
318.09625	2.7
318.17075	1.2
320.11249	13.1
324.19312	1.0
326.21051	2.7
336.10962	1.3
348.10889	1.4
354.20621	5.3
354.24350	1.4
364.19077	1.6
366.11795	7.4
372.21603	2.2
374.08701	3.1
382.20053	87.9
383.20438	1.3
388.21234	1.7
389.09143	1.1
392.09610	4.9
394.19080	1.0
400.21198	2.6
412.19553	10.8
418.22052	5.5
426.23123	1.7
428.20566	88.7
429.20871	1.4
430.22284	3.9
438.22708	4.1
444.19769	1.4
446.21359	2.3
454.22107	1.7
456.23743	57.1
458.21475	2.1
472.23267	7.0
474.24902	11.7
482.21616	4.5
490.24210	14.3
500.22760	8.8
518.23804	52.2
536.24835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01867	0.9
57.03425	1.0
61.02921	0.4
67.42231	0.4
69.03419	4.8
71.04985	4.0
71.53245	0.8
79.05478	1.2
81.03404	7.9
81.07041	0.9
82.47008	0.4
83.04954	0.6
83.08625	0.4
85.02888	9.0
86.03258	0.5
86.03921	0.4
86.09674	0.4
87.04435	0.5
87.99180	0.4
89.06017	6.4
91.05807	1.2
93.07045	0.9
95.04941	1.4
95.08607	0.4
97.02238	0.5
97.02873	9.2
99.04430	5.4
99.05032	0.5
101.02280	0.4
102.31893	0.4
103.03957	1.0
103.05455	1.1
105.03398	2.9
105.07010	34.8
107.04949	0.8
109.02856	7.4
111.04424	2.3
117.05474	1.3
119.08581	1.0
121.02855	2.8
121.10174	0.6
122.09645	15.1
123.04430	0.5
127.03889	9.8
129.05490	0.4
133.04913	0.5
133.10190	0.6
137.02318	100.0
139.03839	0.4
145.02922	0.5
145.04948	2.8
147.04388	1.2
148.07558	1.0
155.03349	0.6
167.05528	0.9
171.06599	0.6
178.05916	0.4
179.03288	0.8
224.59187	0.5
225.07504	1.0
225.14828	0.4
240.10072	1.0
243.08609	2.0
258.11212	76.6
259.11505	0.6
266.99875	0.4
283.09555	0.7
299.05737	2.4
344.97522	0.8
379.09775	0.5
397.11255	5.0
415.03479	0.6
415.12311	6.4
420.11017	0.9
420.16461	13.6
518.19946	1.0
536.13318	0.5
536.21173	10.5
554.95331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42844	0.8
54.91542	0.9
55.05474	0.9
57.07064	2.1
58.73024	0.8
61.93503	0.8
67.05473	1.0
71.01881	2.6
71.08623	2.1
73.04742	10.2
75.02256	0.8
75.02661	1.2
79.05478	1.5
81.07037	1.9
85.10174	0.8
91.05782	47.2
93.03703	1.0
93.07015	1.2
95.08600	1.1
103.05428	3.2
105.07017	3.1
107.08577	1.6
112.11176	0.9
114.07347	8.0
149.04436	5.4
167.05530	46.1
190.07141	4.5
197.57791	0.8
223.06284	3.0
225.04236	10.5
227.02031	1.3
239.09508	9.1
266.99863	10.8
268.97748	1.0
281.04962	4.6
283.02985	16.9
285.00851	1.8
297.08231	2.2
299.06131	100.0
299.39844	1.0
300.06128	3.2
322.07773	3.0
325.03351	0.9
325.07471	0.9
326.96429	1.3
342.99744	2.1
344.97620	15.3
359.02792	7.8
366.24329	1.6
367.99216	2.9
415.03601	16.6
433.04663	1.5
474.41968	0.9
503.10782	8.0
536.36780	2.0
539.34839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
65.03912	2.1
67.05471	4.3
70.06602	1.8
70.12153	9.8
71.08631	2.0
79.05510	4.6
81.07048	3.2
91.05466	6.8
93.07077	3.3
95.04955	10.1
95.08597	2.4
105.03380	82.8
106.06516	1.9
109.10158	2.6
111.04452	3.1
116.04967	3.5
121.02862	29.7
122.06001	7.2
122.07130	1.3
123.04420	16.8
125.05984	1.5
128.98257	1.5
132.04440	2.4
133.02846	12.1
134.05978	7.4
135.04420	9.9
138.05490	2.6
142.04134	3.9
149.06009	2.1
150.05489	3.2
151.03896	13.0
151.06262	4.0
152.06192	7.0
160.88789	1.8
162.05467	30.4
163.03833	2.3
165.06938	4.6
167.08537	11.2
171.51245	1.9
177.05481	2.6
177.06876	2.9
179.08473	2.1
180.05695	12.6
192.05701	2.0
193.04990	2.7
194.07205	3.0
195.08047	3.5
204.08043	19.0
205.04842	3.6
205.06523	9.7
208.05174	7.2
212.04652	3.7
219.08153	1.8
223.07625	3.2
232.07651	9.7
233.05917	6.3
233.08046	2.0
236.04779	14.4
236.06921	3.8
237.09061	16.6
248.04645	6.9
248.06920	2.9
251.07007	100.0
252.07114	2.1
252.09386	2.1
253.10074	5.4
254.08102	13.7
256.09711	4.9
263.07135	11.8
264.06628	2.3
265.09738	23.4
272.06995	2.8
278.07968	2.4
280.09665	2.6
281.09586	28.3
282.11249	25.2
283.10794	2.2
292.09818	2.3
297.09091	4.8
308.10550	2.3
309.09137	13.8
341.11417	3.9
354.11227	3.4
357.11005	7.8
370.14368	5.9
374.13510	2.6
385.56598	2.0
386.13928	11.5
398.13849	20.5
414.13348	29.2
421.90155	1.9
475.37326	1.8
517.17517	40.2
535.18365	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	534.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	20.9
57.03422	7.1
57.07062	11.5
57.42104	1.5
57.48866	1.5
60.08145	2.8
61.02904	6.4
67.05492	75.7
69.03417	2.3
69.07056	28.5
70.13515	2.8
70.13814	9.1
71.04954	2.2
71.08601	6.4
72.99297	1.3
75.04465	1.9
79.05474	26.1
81.07041	99.3
83.08603	22.4
85.02874	6.9
85.06543	2.1
85.10184	2.5
86.09678	5.2
91.03963	3.0
91.05462	16.9
93.07027	25.2
95.04955	2.3
95.08588	84.1
95.37311	1.4
97.02872	4.3
97.06501	5.3
97.10148	13.1
98.20723	1.7
99.08083	3.7
104.10717	17.3
105.07015	12.6
107.08572	20.6
109.10134	43.7
111.08056	5.8
111.11661	6.3
113.09622	2.8
119.08566	11.3
121.10119	27.2
123.11686	23.9
124.99992	3.4
125.09625	2.9
125.13241	2.1
128.12575	1.5
133.10092	18.8
135.11678	16.1
137.13206	8.5
141.12718	4.5
147.11659	15.2
149.13248	14.3
151.11084	2.1
151.14804	9.0
155.14288	3.3
160.41626	1.6
160.82704	1.8
161.13225	15.5
163.14787	12.6
165.16391	10.0
175.14775	13.8
179.14412	1.9
179.17877	7.5
180.65524	1.6
184.07297	9.0
189.16382	3.9
193.15994	2.0
197.15410	1.7
203.17944	1.6
207.17513	2.3
215.80711	1.6
217.19452	1.7
245.22612	70.6
263.23642	100.0
281.24551	1.9
336.95279	1.4
337.27289	67.5
355.28406	9.0
359.36029	1.4
499.32553	5.6
534.35699	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	533.3833
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
50.55873	2.1
53.03932	5.3
54.10438	2.0
54.26633	2.3
55.01843	3.2
55.05505	28.9
56.93579	2.0
57.03431	16.3
57.07072	5.0
59.04992	3.5
59.11541	2.2
65.03938	4.9
67.05492	91.5
69.07062	25.6
70.07472	2.1
71.04981	5.7
71.08608	3.4
71.66779	2.2
71.82327	2.4
77.94995	2.3
79.05482	55.3
81.03413	6.0
81.07044	86.1
83.04963	10.5
83.08600	17.1
85.06516	3.9
91.05463	37.7
93.07024	71.8
95.04947	11.4
95.08588	52.2
97.06518	10.9
97.10142	15.9
99.08098	4.0
105.07014	32.2
107.08573	47.5
109.06490	4.1
109.10132	27.3
111.08103	4.1
117.06978	12.4
119.08566	30.0
121.06473	2.9
121.10120	29.8
123.08044	4.3
123.11684	12.1
125.09634	6.6
129.06979	3.9
131.08551	19.2
133.10101	22.2
135.08047	2.7
135.11670	50.6
137.09592	3.2
137.13194	4.2
143.08574	5.8
145.10089	26.6
147.11644	17.2
149.13237	10.7
151.11183	4.3
153.12740	3.6
155.08498	3.8
157.10062	4.0
159.11728	13.1
161.13235	10.8
163.11192	6.1
163.14833	4.7
169.10135	2.9
171.11665	4.1
173.13281	10.7
175.14818	6.5
181.12193	14.9
185.13301	7.6
187.14818	6.8
189.11258	3.8
195.00375	2.4
195.11668	2.9
197.13271	5.3
199.14810	3.7
220.87311	2.3
227.12833	5.1
243.21112	4.5
253.14391	5.7
255.15854	52.1
259.20465	4.3
261.22137	21.1
273.22186	3.5
287.23590	6.9
291.22934	3.2
317.24759	4.6
335.25714	33.8
347.25192	2.9
359.68433	2.5
405.31445	2.5
423.32419	12.9
441.33606	10.3
459.34506	8.7
489.35779	4.1
497.36548	4.6
515.37213	100.0
516.37927	3.7
533.29150	5.3
533.38184	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.2
57.07050	1.3
67.05489	4.5
69.07058	3.9
69.78008	3.6
79.05470	1.1
81.07041	4.6
83.08588	2.7
85.02864	1.6
85.06500	1.2
91.05434	3.6
93.07050	3.4
95.04893	0.8
95.08592	13.8
98.20597	0.6
99.04486	0.6
100.11250	2.8
103.03904	1.7
105.03326	0.8
105.07008	8.4
107.08559	3.5
109.10134	18.0
117.06966	1.1
119.08559	34.5
121.10109	1.6
123.08041	1.1
127.03890	1.6
131.08542	0.9
133.10104	40.8
134.10905	0.8
135.11661	8.7
137.09595	8.1
145.04974	1.1
145.10094	2.4
147.11650	9.2
149.13235	2.9
151.14850	3.8
160.12430	1.3
163.06012	2.8
173.13235	0.7
175.14790	100.0
189.90132	0.6
193.15849	30.4
206.04439	0.9
209.16447	0.6
251.95325	0.6
307.10229	0.9
319.01968	0.7
319.69107	0.6
463.89920	0.6
534.43634	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	533.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14730	0.6
53.03935	3.5
55.01860	4.1
55.05481	1.4
57.03424	6.1
59.73932	0.7
59.96671	0.6
61.02912	9.6
61.12194	0.6
67.05479	1.6
69.03416	27.2
69.07053	6.8
70.38934	2.4
70.39355	1.1
71.04985	3.8
73.02897	3.5
79.05475	1.6
81.03407	12.1
81.07036	3.4
83.01320	1.3
83.04976	0.7
83.08600	1.5
85.02889	98.1
85.06524	0.6
86.03237	0.6
87.04440	4.4
91.03934	4.6
91.05454	1.7
93.07034	3.6
95.04951	6.5
95.08603	2.2
97.02872	34.8
97.06496	3.7
98.20735	0.8
99.04439	6.0
103.03889	1.2
105.07006	3.4
106.55110	0.6
106.79781	0.7
107.08575	6.6
107.61893	0.6
109.02847	10.7
109.06466	3.8
109.10144	2.1
111.08141	0.9
112.05384	0.7
113.05998	1.9
115.03925	1.8
119.08561	4.1
121.06457	2.9
121.10119	2.7
122.07285	3.8
123.08044	19.5
123.11691	0.9
127.03894	24.9
127.07559	0.7
131.08507	0.9
133.10114	5.5
135.08032	29.0
135.11671	4.6
137.09557	1.8
145.04932	38.7
147.11652	2.6
148.08780	1.5
149.09567	1.3
149.13284	0.8
163.05989	8.0
163.14809	1.5
165.12727	19.2
171.06528	2.0
173.13210	1.6
175.14795	5.8
176.11952	5.6
177.12656	0.8
182.57602	0.7
189.07545	2.5
191.14276	100.0
192.14644	2.2
193.15834	15.7
198.58000	0.7
207.13765	4.2
209.15338	18.8
335.18558	1.5
353.19519	3.3
366.56845	0.7
371.20590	13.2
533.25867	48.1
534.26117	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44462	1.1
57.03439	1.3
59.27098	0.9
67.05482	1.5
69.03418	3.3
69.07047	2.2
69.76463	1.9
69.76874	4.9
70.06568	1.5
71.04996	1.0
79.05476	3.5
81.03357	1.4
81.07047	3.9
83.04950	1.2
85.02892	5.6
91.05476	2.9
93.07023	2.5
95.04922	1.1
95.08600	1.8
97.02890	1.2
103.03929	3.1
105.03398	2.7
105.07027	4.0
107.04944	1.2
107.08563	12.8
109.06474	6.2
109.10141	4.3
115.05519	1.2
117.07005	1.4
119.08566	2.4
121.10146	9.3
122.07265	2.8
123.08042	2.0
127.03897	3.6
129.02702	0.9
131.08563	1.6
133.10106	100.0
134.10548	1.3
134.64685	0.9
135.08043	11.1
137.09595	51.1
138.43524	1.0
145.04965	1.6
147.11644	2.7
149.09584	5.0
149.13229	11.6
163.03883	1.7
163.05977	1.6
163.11261	1.0
163.14719	1.7
164.06543	1.0
173.13235	5.3
191.14285	58.0
207.13712	2.7
209.15352	33.5
221.05496	1.1
256.09595	1.1
277.07742	1.0
353.19382	0.9
404.77444	0.9
533.18848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.05508	3.1
57.07069	27.1
65.03955	1.4
67.05489	11.3
69.07063	4.5
71.08620	37.3
79.05470	1.3
81.07046	21.3
83.04959	1.7
83.08624	1.4
85.06473	1.2
85.10170	18.7
91.05493	1.3
95.04945	5.8
95.08594	27.4
103.05462	7.9
104.07636	1.1
107.04916	1.4
111.04414	2.2
115.05467	1.6
121.06563	1.2
129.07002	1.0
131.04912	65.6
137.13248	1.7
139.03940	3.0
141.11270	1.1
145.06459	2.1
149.05957	3.9
155.14287	18.4
157.06516	2.4
159.04395	100.0
160.04761	1.5
163.03889	28.9
173.05978	2.1
177.05450	96.3
187.03879	56.6
189.05431	1.5
201.05469	1.2
205.04953	44.8
223.78717	1.2
225.10075	1.2
243.11789	1.1
289.17896	3.5
313.17810	1.7
341.17444	4.3
359.18491	65.7
360.18942	1.1
408.69370	1.1
497.64371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.1
57.03436	1.5
67.05473	2.4
69.03414	7.9
69.07056	2.3
70.06564	3.1
71.78445	1.6
71.78830	1.6
73.17859	1.4
79.05479	3.1
81.03403	1.7
81.07037	5.4
83.04962	1.9
85.02893	9.9
86.09715	2.1
87.03310	1.4
91.05478	4.3
93.07020	3.4
95.04980	1.9
95.08622	1.8
97.02874	4.7
97.06525	2.4
99.04455	1.9
103.03942	3.2
105.03384	8.9
105.07024	4.9
107.04969	2.5
107.08562	15.0
109.06511	6.1
109.10149	4.0
113.63835	1.4
117.07023	2.1
119.08529	2.8
121.06470	2.2
121.10130	11.6
122.07286	1.8
123.08066	3.5
124.03915	1.6
127.03922	7.0
131.08492	2.8
133.10103	100.0
134.10498	2.2
135.08035	13.9
137.05925	2.1
137.09598	57.7
145.04901	3.1
147.04359	1.9
147.11659	3.4
149.09592	8.5
149.13220	12.1
151.11214	1.5
163.06065	2.1
163.14809	2.7
165.12672	1.5
173.13235	5.9
191.14279	58.9
209.15356	43.2
209.17241	3.1
236.07616	1.6
256.09698	3.6
533.19556	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	1.7
57.03418	1.1
59.04983	1.0
67.05476	1.9
68.93771	0.5
69.03408	5.1
69.07047	1.7
71.04963	1.1
71.81596	1.0
73.08501	0.7
79.05483	3.5
81.03378	1.3
81.07043	5.6
83.04959	0.7
83.08601	0.7
85.02888	8.0
91.05456	3.7
93.07016	2.3
94.22086	0.7
95.04942	0.9
95.08577	1.4
97.02869	1.5
97.06530	0.7
98.98409	0.6
99.04448	4.0
103.03947	1.0
105.03366	0.9
105.06999	4.6
107.04923	1.6
107.07888	1.0
107.08570	14.1
109.06485	4.9
109.10146	4.6
115.05429	1.2
117.06979	1.6
119.08566	1.9
121.06494	1.2
121.10114	10.5
122.07263	2.6
123.08067	1.7
127.03893	2.6
131.08507	2.0
133.10103	100.0
134.10416	1.7
135.08023	11.3
135.11685	1.3
137.05901	1.0
137.09587	49.9
138.09937	1.0
145.04912	2.0
145.10083	1.0
147.04454	0.7
147.11655	2.5
149.09615	1.2
149.13219	12.0
151.11122	1.0
162.06726	0.6
163.05957	0.8
163.14835	2.2
165.12692	1.1
167.10661	1.6
172.35988	0.5
173.13225	5.4
183.13852	0.7
191.14267	50.4
192.14661	1.1
209.15335	29.5
227.16322	3.0
303.72916	0.5
364.85605	0.6
425.46091	0.7
479.52789	0.5
507.20053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05492	1.3
57.07065	7.5
57.52761	0.3
59.01740	0.4
61.46363	0.3
65.03938	0.5
67.05490	3.9
69.03396	0.4
69.07055	1.5
71.08615	9.7
71.81102	0.6
75.94928	0.4
77.03921	0.4
79.05468	1.0
81.07038	6.9
83.04958	1.4
83.08571	0.5
85.10159	5.2
91.05455	0.8
91.61585	0.3
93.03393	0.4
93.07050	0.9
95.04944	3.3
95.08596	7.5
103.05443	8.7
105.03371	1.1
105.07000	0.6
107.04945	0.4
111.04425	2.2
115.05470	0.8
118.04181	0.4
121.02847	1.0
129.06998	0.3
131.04904	23.8
133.06445	0.5
135.04361	0.8
137.13251	0.8
138.60237	0.4
139.03886	1.8
143.04840	0.7
145.06447	0.6
149.05959	4.6
155.14296	5.6
157.05072	0.5
157.06482	0.5
159.04390	54.6
161.05974	1.3
163.03873	4.7
163.10915	0.4
169.06480	0.4
173.05934	1.7
177.05438	18.4
180.55281	0.3
184.05138	0.3
184.07233	0.6
187.03870	51.6
189.05408	4.5
197.05942	1.0
198.99361	0.5
200.04678	1.4
201.05476	1.3
205.04926	100.0
206.05345	0.5
215.06926	0.4
221.74654	0.4
289.17780	0.4
297.18463	0.6
311.18381	1.1
313.17889	4.5
315.19601	0.5
317.17322	0.7
331.18970	2.1
341.17395	6.2
359.18478	7.5
369.35138	0.4
373.85385	0.4
396.12085	0.5
488.46951	0.5
505.24066	0.4
533.16937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01847	0.6
55.05499	2.0
57.07066	14.1
65.03941	1.2
65.06575	0.2
67.05125	0.4
67.05493	6.9
68.99768	0.4
69.07053	2.6
69.67867	2.3
71.08618	20.9
74.09737	0.3
75.31787	0.2
77.03927	0.3
77.73479	0.3
79.05488	1.6
81.07042	13.1
83.04965	1.3
83.08595	0.7
85.06560	0.3
85.10170	10.9
89.35566	0.3
91.05460	0.7
93.03337	0.6
93.07056	0.6
95.04956	3.5
95.08589	14.1
103.05443	4.0
105.07007	0.4
107.04931	6.4
109.10184	0.3
111.04429	3.8
115.05412	1.3
119.08522	0.3
121.02825	1.6
121.06474	1.7
131.04906	12.7
133.06499	0.4
135.04395	2.3
137.13248	2.2
139.03867	1.0
141.03276	0.7
141.06955	0.7
143.04904	2.2
145.06471	0.4
147.04352	0.4
149.02269	0.3
149.05957	10.8
155.14276	14.2
159.04372	3.6
161.05946	3.7
163.03880	2.8
169.06470	1.4
173.05949	4.1
175.03851	0.3
176.04628	0.5
177.05441	50.2
178.05803	0.6
181.06430	0.3
187.03818	4.4
187.05031	5.0
187.07504	0.4
189.05437	17.9
196.05264	0.3
197.05939	3.3
198.34930	0.2
199.07515	0.6
200.23399	0.3
201.05443	2.2
201.57384	0.3
203.03355	0.4
205.04927	100.0
206.05338	0.7
211.07501	0.5
215.03436	2.2
215.06879	1.7
253.03357	0.3
297.18616	0.3
313.17880	5.2
315.19547	2.7
317.17340	0.8
331.18979	6.1
341.17404	11.7
359.18497	2.1
391.80649	0.3
505.24136	1.1
515.22375	0.5
533.25195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90541	0.7
53.03936	0.9
65.03924	1.1
67.05462	1.1
68.99731	0.9
69.03408	2.2
70.06567	1.1
70.66638	0.8
71.27671	1.4
71.28004	1.4
72.08161	0.8
74.48447	0.7
81.03394	1.6
83.04970	3.8
85.02901	4.4
86.09679	0.9
88.02462	0.7
89.03920	1.5
91.05437	0.8
91.28088	0.7
93.03378	1.8
95.04937	4.7
97.02870	1.1
107.04922	1.1
109.02824	1.2
111.04427	2.9
117.03333	0.7
123.04401	2.3
127.03886	2.1
131.04863	1.1
133.02846	3.3
134.03577	1.2
135.04384	2.7
135.08043	1.4
137.02321	3.0
139.03870	2.1
145.02823	1.9
147.04356	2.4
159.04399	0.9
161.02321	1.7
163.03880	15.6
165.07018	6.4
165.08315	1.0
167.08514	0.9
169.06436	1.7
175.03879	0.8
177.06967	1.0
179.03345	1.0
181.06480	2.5
187.03893	2.8
191.03429	0.9
193.06430	6.1
197.05951	4.9
205.06494	3.6
209.15315	1.4
211.07501	2.8
215.07019	1.4
221.05930	24.1
223.07504	2.9
225.05405	3.6
227.09137	1.0
233.05937	2.0
239.06992	6.3
243.06567	1.4
249.05432	32.2
250.05943	1.7
251.07005	2.1
253.04897	2.5
259.03851	2.2
262.86172	0.8
267.06546	10.3
269.04428	0.8
269.08142	1.2
271.06009	2.9
277.04938	16.3
279.06537	6.1
279.10123	0.6
281.04385	1.7
285.07681	1.0
295.05966	57.1
297.07483	4.3
299.05389	3.5
305.04300	4.7
307.05856	1.9
313.07065	1.4
323.05447	100.0
324.05835	2.9
341.06531	23.9
497.10687	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1285
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
50.54496	0.6
51.65411	0.6
55.01861	1.8
66.82188	0.6
67.05487	1.3
69.03407	1.1
70.06588	0.8
71.54875	0.9
83.04964	2.2
85.02897	1.4
91.05459	0.6
93.03355	1.0
95.04945	2.4
95.21262	0.6
97.02882	1.3
99.98631	0.7
111.04405	3.0
123.04420	1.5
127.03854	1.0
133.02856	0.8
135.04361	0.8
135.08002	0.8
137.02309	3.2
139.03862	1.8
145.04971	1.0
151.42299	0.7
153.06981	0.8
159.04366	0.8
163.03906	4.0
165.06938	5.9
169.06526	1.6
173.13159	0.8
181.06465	1.3
187.03899	2.5
191.14291	1.6
193.06462	6.2
195.08031	1.0
197.05899	3.3
205.06485	2.5
206.07159	0.8
209.15240	1.0
211.07515	3.1
215.06972	2.7
221.05940	25.5
221.08107	1.2
223.07550	3.7
225.05414	2.5
231.02762	1.1
233.06006	1.5
239.06978	7.1
249.05441	29.4
250.06223	1.1
251.06934	1.8
253.04938	1.0
259.03809	1.0
261.05338	1.2
267.06427	9.4
269.08173	1.4
271.05930	4.4
277.04907	18.5
278.05524	0.7
279.06497	4.7
290.01224	0.7
295.05960	54.8
296.06290	1.8
297.07535	4.3
298.13010	0.7
299.05490	2.8
305.04395	4.9
307.06024	0.8
313.06952	1.2
323.05444	100.0
324.05740	3.2
341.06506	7.9
384.46518	0.8
398.19336	0.9
497.10672	26.6
498.10809	1.6
515.11664	1.2
533.10388	1.0
533.21838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77020	0.9
53.03928	1.8
55.01862	1.1
55.05508	9.5
57.03412	2.7
57.07057	3.8
61.02923	5.8
65.03919	1.7
67.05495	58.6
69.07049	11.6
71.01250	2.7
71.04969	2.5
71.08592	1.7
73.02898	2.5
75.04441	1.3
79.05481	40.1
81.03429	1.2
81.07044	67.2
83.04955	2.3
83.08613	6.4
85.02876	4.6
85.06530	3.5
89.72243	1.0
91.03931	2.5
91.05471	19.2
93.07031	47.7
95.04958	4.3
95.08595	50.5
97.02876	2.1
97.06499	2.8
97.10138	3.2
99.08066	3.1
105.04581	1.2
105.07027	17.2
107.08582	32.6
107.09315	1.7
109.06465	1.6
109.10142	28.7
111.08051	1.9
111.11742	1.3
113.09606	1.6
117.07004	8.4
119.08555	16.4
121.10127	31.6
123.08096	2.4
123.11689	18.1
125.09593	2.0
131.08545	18.8
133.10115	13.1
134.03940	1.0
134.05013	0.9
135.11674	26.7
137.09598	1.5
137.13254	6.4
139.11128	1.6
145.10106	13.8
147.11650	11.3
149.09584	1.2
149.13229	21.9
151.11186	2.4
151.14780	2.6
153.12718	2.1
159.11671	16.5
161.13219	11.4
163.14784	16.8
165.12720	1.9
173.13251	16.8
175.14845	2.4
177.16399	5.8
179.14319	2.2
187.14783	9.8
189.16360	1.2
191.14258	2.1
201.16362	3.3
205.15854	1.5
219.17384	1.3
233.22543	3.3
243.21053	31.9
261.22107	100.0
262.22446	2.9
263.23712	1.9
279.23108	3.2
335.25735	16.8
353.26831	39.4
387.25464	1.3
405.26111	1.3
420.36850	1.0
421.54977	1.0
423.26898	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01876	0.4
55.05507	3.0
57.03431	0.7
57.07062	0.7
67.05496	0.5
68.04349	0.3
69.03419	4.8
69.07044	1.7
70.49661	0.7
70.50053	0.8
73.31265	0.3
79.05064	0.7
79.05482	7.2
81.03399	0.7
81.07039	0.6
83.04964	5.3
85.02901	3.5
87.04451	0.8
91.05464	4.6
93.07031	2.3
95.04953	0.6
95.08582	0.9
97.02893	1.2
97.06516	0.7
98.20729	0.4
99.04431	2.2
103.03926	1.4
105.07021	3.9
107.08577	78.0
108.08909	0.6
109.02865	0.5
109.06522	1.9
109.10139	1.0
115.03915	0.9
117.06992	0.4
119.06060	0.5
119.08570	1.3
121.06506	1.0
121.10131	7.8
121.10955	0.7
123.08004	0.8
127.03918	1.9
131.08548	2.1
133.04977	0.7
133.10110	3.5
135.08051	3.6
135.11664	1.0
143.08537	0.6
145.04930	1.5
145.10121	1.5
147.11620	1.9
149.09581	0.8
149.13242	6.7
153.09085	1.0
158.10892	1.3
163.06001	1.0
163.14824	1.0
173.13242	6.7
176.11995	0.5
191.14285	100.0
192.14635	1.4
209.15308	0.4
307.10147	0.5
430.62439	0.4
533.25555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01876	0.4
55.05507	3.0
57.03431	0.7
57.07062	0.7
67.05496	0.5
68.04349	0.3
69.03419	4.8
69.07044	1.7
70.49661	0.7
70.50053	0.8
73.31265	0.3
79.05064	0.7
79.05482	7.2
81.03399	0.7
81.07039	0.6
83.04964	5.3
85.02901	3.5
87.04451	0.8
91.05464	4.6
93.07031	2.3
95.04953	0.6
95.08582	0.9
97.02893	1.2
97.06516	0.7
98.20729	0.4
99.04431	2.2
103.03926	1.4
105.07021	3.9
107.08577	78.0
108.08909	0.6
109.02865	0.5
109.06522	1.9
109.10139	1.0
115.03915	0.9
117.06992	0.4
119.06060	0.5
119.08570	1.3
121.06506	1.0
121.10131	7.8
121.10955	0.7
123.08004	0.8
127.03918	1.9
131.08548	2.1
133.04977	0.7
133.10110	3.5
135.08051	3.6
135.11664	1.0
143.08537	0.6
145.04930	1.5
145.10121	1.5
147.11620	1.9
149.09581	0.8
149.13242	6.7
153.09085	1.0
158.10892	1.3
163.06001	1.0
163.14824	1.0
173.13242	6.7
176.11995	0.5
191.14285	100.0
192.14635	1.4
209.15308	0.4
307.10147	0.5
430.62439	0.4
533.25555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95861	0.6
53.03923	2.8
55.01842	0.8
57.03408	1.6
60.25404	0.6
61.02901	2.4
65.64807	0.6
67.05150	0.6
69.03414	9.9
70.06567	1.7
71.04977	3.2
71.31024	1.5
73.02893	2.6
81.03400	10.0
83.04945	1.3
85.02888	62.8
86.09688	1.0
87.04423	1.2
91.03944	0.8
97.02870	24.7
98.21178	0.8
99.04435	33.2
99.41531	0.5
103.03921	76.0
105.07021	3.5
109.02856	16.0
111.04443	1.4
115.03877	1.2
122.09648	2.2
127.03886	100.0
137.02264	1.0
145.04927	49.7
146.00247	0.7
147.04333	0.9
156.63661	0.8
163.04047	3.3
163.05984	69.6
164.06345	0.9
165.06897	0.7
169.04913	1.3
180.08661	0.6
187.05988	5.2
205.06900	2.6
221.05992	2.6
223.07497	1.7
239.06973	0.9
249.05428	2.9
251.06944	2.0
253.07042	1.7
267.06540	1.3
267.28851	0.7
269.08081	1.5
271.08081	13.7
277.05069	0.7
282.09903	0.7
289.09116	15.4
295.06033	5.7
307.10165	27.8
313.07062	2.1
317.10999	0.7
323.05402	3.0
335.13284	11.5
341.06467	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.44
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	18.8
55.53363	3.3
57.06831	5.7
57.07065	66.8
57.11005	4.2
58.81263	4.4
67.05486	32.4
68.29644	3.5
69.07063	32.9
70.61951	4.0
71.04984	6.1
71.08238	6.5
71.08617	100.0
71.15134	9.1
71.15474	7.9
73.02893	8.8
79.05464	16.1
81.07039	85.9
83.07187	4.0
83.08598	9.7
85.02875	9.9
85.10162	54.1
86.85606	4.0
87.04446	9.0
91.05455	18.0
91.75069	3.4
92.91089	4.4
93.07018	23.9
95.08588	77.4
97.10123	6.0
103.53562	3.8
105.00037	11.9
105.06998	21.4
107.08568	36.1
109.06489	5.9
109.10139	12.6
117.06986	10.8
119.08544	51.7
121.10125	12.9
123.11679	4.9
129.06897	4.5
131.08510	17.9
133.08075	4.9
133.10095	9.3
135.11658	7.9
137.13214	11.8
141.06927	4.0
142.07715	4.6
143.08517	15.7
145.10088	23.5
147.11647	5.6
155.08504	6.9
155.14284	31.9
156.09351	4.7
157.10114	13.0
159.11713	12.5
161.13237	21.8
163.14822	4.8
169.10049	7.0
171.11620	9.5
173.09535	6.4
173.13187	9.0
185.13202	10.7
187.14758	13.1
189.12604	8.0
205.15855	5.4
223.16920	8.9
233.18889	5.3
277.21634	4.5
285.22186	6.2
297.25601	5.2
299.27209	14.4
303.23123	4.4
315.26855	25.9
321.25415	4.5
323.27240	8.4
341.28320	27.9
343.26196	8.5
357.27698	5.4
359.25235	6.7
359.29376	80.4
361.31015	6.5
399.32150	5.4
411.32306	5.6
425.34317	10.4
427.35165	5.9
439.35379	5.1
453.37094	13.4
467.42264	4.8
477.40704	10.8
495.41824	85.4
513.43079	67.4
528.99493	5.4
531.38007	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	531.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48403	5.2
55.05510	20.5
57.07066	73.1
67.05495	39.5
69.07059	27.2
69.71877	31.4
71.08617	100.0
79.05490	20.0
81.07046	79.5
83.08595	11.8
84.75025	4.4
85.10164	49.5
85.21646	4.3
87.04459	12.2
91.05460	14.3
93.07032	32.5
95.04947	4.9
95.08598	78.2
97.10181	5.7
105.00066	16.3
105.07024	23.3
107.08578	31.2
109.10135	6.4
115.62988	3.8
117.06995	7.5
117.92068	3.6
119.08571	55.5
121.06461	7.0
121.10123	10.9
129.07031	4.3
131.08548	21.5
132.39648	4.0
133.10175	9.5
135.11714	7.7
137.13219	7.7
143.08566	13.4
145.10092	29.6
147.07997	4.1
147.11673	7.8
149.13147	5.3
150.49759	4.0
155.14307	34.5
157.10114	7.3
159.11702	13.7
161.13249	28.1
163.11153	4.0
163.14748	7.8
169.10123	5.6
171.11693	13.2
173.09656	4.2
173.13264	4.3
183.11668	4.8
185.13194	12.2
187.14848	15.7
189.12650	7.8
205.15883	4.5
239.20132	5.0
269.82617	4.2
290.21146	6.4
297.25739	12.2
299.27353	23.4
303.23196	6.7
315.26746	49.6
315.29852	6.3
323.27432	8.2
341.28476	30.4
343.26364	19.6
352.63931	4.4
359.29379	77.8
399.32602	8.5
411.04861	4.2
425.33783	8.7
439.35776	7.2
453.37228	18.3
477.34329	4.3
477.40698	15.0
495.41901	88.8
513.43097	52.1
531.39978	21.7
531.49213	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	531.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21384	1.0
53.03924	4.0
55.01852	6.0
55.05502	13.9
57.03408	3.5
57.07047	5.4
65.03918	3.1
65.08926	1.2
67.05493	76.7
68.99857	1.1
69.03407	3.2
69.06726	1.6
69.07056	18.2
70.27641	6.2
70.73994	1.4
71.04977	6.2
71.08614	2.4
77.03898	1.4
79.05478	44.3
81.03378	2.8
81.07040	70.3
83.04964	6.5
83.08591	6.4
85.06522	7.1
85.10136	1.5
87.04451	10.2
88.04770	1.5
91.05461	50.8
93.07027	51.9
95.04951	9.3
95.08590	30.2
97.06493	4.5
99.04459	2.7
99.08054	2.4
105.00016	1.7
105.07012	48.5
107.04881	1.6
107.08573	47.7
108.78837	1.1
109.06454	5.3
109.10137	67.6
113.06013	2.5
117.07013	7.3
119.08560	12.8
121.10133	17.7
123.08026	3.9
123.11684	13.4
125.09613	2.3
127.07551	3.1
129.06931	2.7
131.08539	13.9
133.10104	77.6
135.11668	14.9
136.01746	1.3
137.09509	1.7
137.13197	1.5
137.76393	1.5
143.08577	3.1
145.10077	6.7
147.07994	1.5
147.11673	6.7
149.13191	7.2
151.11159	40.3
153.12711	1.8
155.08542	1.7
157.10089	1.2
159.11665	6.9
160.33617	1.2
161.09583	1.9
161.13196	4.0
162.53485	1.3
163.14838	1.9
169.09944	1.6
169.12216	11.9
171.11729	1.3
173.13228	4.1
175.14793	1.5
177.05432	2.4
179.10667	1.5
185.13388	1.5
187.14859	2.5
201.16422	1.8
215.12706	4.5
243.20924	3.9
253.14304	83.6
254.14351	1.2
259.20477	2.0
261.22104	17.6
269.88849	1.2
271.15344	3.6
290.20050	1.4
317.24646	4.3
439.31747	4.1
457.32935	3.3
513.35681	19.1
531.36609	100.0
532.37067	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01861	2.4
55.05502	7.5
65.03912	1.6
67.05487	5.2
69.03415	14.2
69.07059	4.3
71.04974	4.7
71.31294	1.6
71.81787	1.8
79.05472	6.3
81.03408	12.2
81.07042	6.7
83.04969	7.2
85.02886	32.4
86.09686	1.5
88.79464	1.4
91.05457	6.3
93.07028	7.8
95.04967	3.3
95.08601	5.8
97.02863	12.2
97.06497	2.9
99.04449	20.0
103.03924	41.0
105.07003	15.0
107.08570	12.3
109.02862	10.7
109.06502	21.2
109.10155	6.3
117.07016	3.3
119.08564	20.5
121.06491	3.9
121.10094	12.0
123.08035	5.0
123.11686	3.1
127.03896	49.2
127.04842	2.5
128.06210	1.9
129.06964	4.9
131.08534	3.1
133.06465	5.1
133.10092	10.0
133.10974	1.5
135.08044	27.2
135.11583	1.6
137.09581	30.6
143.08551	4.4
145.04930	28.6
145.10075	3.3
147.04370	1.6
147.08018	12.7
147.11662	12.5
149.09601	10.0
151.07535	2.8
153.09087	11.4
156.09343	6.1
161.09605	3.2
161.13225	23.6
163.03905	2.2
163.05980	29.8
165.09035	1.7
165.12741	5.3
169.04868	1.6
171.11649	10.0
174.10425	3.2
179.14308	4.0
187.06030	2.2
189.12704	46.1
205.07039	3.7
207.13763	100.0
225.14839	25.7
271.08197	4.9
278.89636	1.5
289.09171	4.5
307.10141	4.7
315.15924	2.1
341.23007	2.5
351.18750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91580	1.3
52.62001	1.3
53.03920	1.8
55.05500	7.6
57.07057	4.2
65.03899	1.7
67.05486	19.7
69.03416	32.0
69.07052	9.1
73.06551	1.7
79.05477	12.7
81.03403	7.4
81.07038	20.8
82.07365	2.3
83.04947	4.1
83.08601	6.4
85.06509	1.6
85.42070	1.4
87.04453	16.2
87.76509	1.4
91.05447	9.8
93.07018	17.0
95.04953	28.2
95.08591	24.2
97.06509	3.8
97.10191	2.7
99.08082	2.0
105.07016	14.7
107.04917	3.7
107.08579	17.5
109.06509	2.9
109.10131	15.4
111.08029	3.1
117.07011	2.8
119.08554	16.4
121.06505	3.8
121.10138	18.6
123.08041	5.4
123.11671	8.4
125.09600	3.0
129.06985	3.2
131.08566	9.7
132.02490	1.4
133.10118	13.6
135.08038	4.7
135.11658	6.1
137.09569	5.5
139.11130	3.5
141.09082	2.1
143.08531	5.7
145.10039	9.4
147.11641	9.7
149.09572	3.8
149.13222	5.6
151.11160	2.7
154.07780	1.5
155.08583	2.5
157.10046	8.9
159.11656	13.2
161.09615	2.9
161.13220	17.4
163.11247	1.8
163.14752	2.9
165.12770	3.1
169.10129	4.8
171.11644	9.5
173.13219	8.8
175.11156	3.4
175.14781	4.3
177.12758	4.4
181.10094	2.6
183.11720	7.0
185.13235	9.6
187.11209	1.6
187.14760	7.4
189.12781	2.6
189.16368	6.4
193.12178	2.7
195.11621	5.0
197.13234	4.1
199.14807	8.0
201.12712	2.2
201.16402	5.9
203.14186	3.2
203.17868	2.2
209.13213	2.8
211.14764	7.6
213.16373	5.0
223.14828	3.0
225.16284	8.0
227.18018	8.7
231.17395	3.1
234.09050	3.0
239.17970	4.0
243.17346	3.3
245.18968	14.1
251.17847	2.7
253.19609	3.1
257.18973	2.9
259.20612	7.3
262.08615	7.4
265.19421	3.2
268.10562	1.5
271.20413	2.7
277.19299	2.1
278.11749	9.8
283.20590	4.4
285.21912	2.5
295.20764	2.8
295.24173	10.9
297.22015	2.6
306.11185	3.4
309.22021	3.6
311.23529	10.8
313.25186	48.5
337.25098	8.1
339.26828	5.5
351.26852	1.5
353.28104	1.6
363.26785	11.5
381.27814	100.0
382.28137	1.6
383.29340	2.6
417.31329	2.4
420.97839	1.7
425.34058	3.3
435.32617	8.2
453.33609	17.6
498.26477	1.8
530.28851	21.8
530.38928	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	530.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03214	0.8
53.03935	2.2
55.01849	3.7
55.05264	1.2
55.05503	17.4
57.03429	16.8
60.86892	0.9
65.03916	2.1
67.05494	25.8
69.03427	4.5
69.07056	5.4
70.00832	4.8
71.04969	5.7
79.05479	29.7
81.03404	72.1
81.07042	30.3
81.07529	1.3
83.04489	1.6
83.04961	21.3
83.08604	25.8
85.02888	30.0
85.06517	1.9
86.74799	0.8
91.05460	42.2
93.07025	19.2
95.04953	29.3
95.08595	13.1
97.02864	3.3
97.06503	3.4
97.10157	4.6
97.12186	0.8
99.04420	0.9
99.08059	1.8
105.06312	1.6
105.07012	29.5
107.04937	10.0
107.08577	9.0
109.06500	6.2
109.10133	3.6
111.04404	3.4
111.08066	13.4
113.05977	3.3
115.05418	3.1
117.06992	2.6
119.08559	24.4
121.06503	2.8
121.10120	10.3
123.08054	2.9
123.11696	1.7
125.09637	2.1
128.06227	0.9
129.06981	15.7
131.08539	16.1
133.06454	4.0
133.10101	14.8
137.09581	1.8
142.07747	5.1
145.10086	2.4
147.08025	3.6
147.11659	19.1
149.09581	8.6
151.11150	1.2
157.10098	16.3
163.11125	1.4
165.12708	3.1
175.11163	18.1
193.12207	65.7
194.12543	2.2
211.13255	100.0
212.13588	2.2
249.14864	0.9
267.15857	26.6
268.16354	1.2
285.16913	97.1
286.17395	1.7
310.20486	1.0
316.94330	1.2
324.23294	0.8
325.79153	1.0
349.84491	0.8
367.22562	1.1
385.23480	1.5
459.27426	8.9
477.28427	14.5
478.28406	1.0
495.29483	37.3
496.29587	2.6
525.44128	1.0
541.19092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56875	1.2
53.00289	1.0
53.03926	2.5
55.01865	6.8
55.05505	15.1
56.05021	2.0
57.03429	2.3
57.06783	2.2
57.07069	39.9
57.55484	1.1
64.61284	1.0
65.03918	2.1
67.05499	18.7
68.05009	4.7
69.07059	9.9
70.66769	3.5
71.08622	21.1
74.18364	1.1
78.84418	1.2
79.05477	6.2
80.04997	1.6
81.06592	1.6
81.07047	18.0
82.02922	1.9
82.06533	1.3
83.08611	15.6
84.04491	30.3
85.02904	17.2
85.06504	1.2
85.10158	11.4
88.01995	1.1
91.05458	4.0
92.04984	1.3
93.03400	3.0
93.07039	4.5
94.02032	1.1
94.06536	2.4
95.04971	4.1
95.08595	27.8
96.04483	7.6
97.06509	1.6
97.10168	6.9
102.05547	5.6
105.03412	6.9
105.07022	4.2
106.06544	1.8
107.04963	2.2
107.08601	3.0
108.04495	2.9
109.02840	2.6
109.10147	11.3
110.02411	2.8
110.06021	3.9
114.05507	9.4
117.06975	2.4
118.06540	1.1
119.08579	2.2
120.04471	5.3
120.08076	2.7
121.02845	5.1
121.06400	1.1
121.10117	4.4
121.66363	1.2
122.02353	1.8
122.06001	3.9
123.04475	1.7
123.11722	4.5
124.03956	2.9
125.02354	2.2
130.04961	6.0
130.06470	2.1
131.03362	1.3
131.08530	2.0
133.06476	1.5
134.06004	4.3
136.03941	4.0
136.07565	1.8
137.02319	2.8
138.01825	5.0
138.05487	8.4
139.03770	2.5
142.04987	10.2
146.06003	2.8
148.03938	12.9
148.06070	1.9
148.07553	5.3
149.02306	5.6
150.05502	6.2
151.03870	2.1
153.01805	2.9
154.01311	2.7
154.04976	2.6
155.03383	2.6
159.08040	1.4
162.05504	4.1
164.03432	3.5
164.07133	2.6
166.04922	6.7
167.03349	3.6
168.06537	2.8
174.05443	1.5
176.03419	4.9
176.07036	16.5
178.05006	3.1
180.06557	1.8
181.15843	2.3
182.04446	9.2
183.17419	2.5
184.05969	2.0
186.05431	1.7
187.03958	1.3
188.07074	1.4
190.04980	4.2
192.02856	1.7
192.06563	4.1
194.04488	4.4
194.08199	2.4
196.06050	2.4
200.05553	1.2
202.04974	3.1
203.05653	1.3
204.06543	16.9
206.04375	2.1
208.06059	1.3
210.03983	3.4
214.07060	4.9
218.04434	2.7
220.06081	3.2
222.04076	2.0
222.07533	15.2
232.06105	2.4
238.03438	13.7
238.07063	3.6
240.04871	1.5
240.08621	2.2
248.05516	2.5
250.07167	12.3
263.16464	1.7
264.05219	1.3
266.06580	5.3
268.08145	14.8
274.21637	2.7
276.05154	1.9
278.06540	3.1
284.07565	4.5
286.09140	9.0
288.19742	1.7
292.19055	14.5
294.05920	1.7
296.07623	5.5
302.08667	2.3
302.21185	6.1
303.19388	2.4
304.22638	1.6
312.07071	12.3
314.08557	2.6
320.22238	2.6
329.02805	2.1
330.03076	2.4
330.08054	3.2
330.20609	44.7
332.09753	6.4
340.06671	4.0
347.18695	1.8
348.21777	5.5
357.02335	1.6
358.03238	1.5
358.07703	5.0
358.20071	2.6
360.21609	2.7
366.22525	1.4
376.21170	14.3
394.22415	2.8
404.20554	20.2
406.22137	1.4
412.23129	5.0
420.24100	2.1
422.21603	34.7
424.23132	2.3
432.23718	4.4
438.20966	3.1
448.22937	1.8
450.19962	1.1
450.24799	41.2
466.24283	5.1
468.25931	12.8
476.22955	4.6
484.25400	15.7
494.23740	9.9
512.16394	9.0
512.24774	70.6
520.13373	1.2
530.17560	8.0
530.25842	100.0
531.26239	1.8
557.61212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05701	0.5
53.03933	3.3
55.01859	1.9
55.05262	1.0
55.05502	12.2
57.03422	3.8
57.07058	3.2
65.03937	2.2
67.05492	48.3
69.03402	0.8
69.07055	14.1
70.94682	1.1
70.94991	0.8
71.04965	2.5
71.08611	1.4
79.05479	37.3
81.03403	3.5
81.07039	54.9
83.04965	3.5
83.08596	9.3
85.06519	1.2
87.04467	1.0
91.05460	24.0
91.06029	1.2
93.07023	44.1
95.04949	6.1
95.08584	25.2
97.06518	5.3
97.10150	2.3
99.08079	1.7
105.07018	14.1
106.13000	0.6
107.08572	22.0
109.06485	2.0
109.09462	1.0
109.10136	9.5
111.08050	3.1
113.09580	0.7
117.06997	8.3
119.08557	11.2
119.09428	1.1
121.06473	1.1
121.10125	17.6
123.08042	0.9
123.11687	2.7
129.07022	3.1
131.08533	11.3
133.10106	10.5
133.11014	1.0
135.11661	10.0
139.11130	0.8
141.07002	0.8
142.07800	0.7
143.08543	3.1
145.10101	8.3
147.11656	5.7
149.09554	0.8
149.13229	15.1
155.08519	1.4
157.10147	3.5
159.11667	10.2
161.13261	2.6
163.11040	0.6
163.14766	1.6
167.14296	0.9
169.10075	1.7
171.11638	2.7
173.13216	3.3
175.14864	1.3
177.12744	3.0
183.11703	2.0
185.13280	2.4
187.14844	2.3
193.12180	0.9
195.13792	4.7
197.13220	1.3
199.14810	1.8
201.16411	1.3
211.14812	1.1
241.19423	0.8
256.26550	0.8
261.22064	2.9
317.24628	0.7
397.69797	0.7
419.32617	0.7
437.34079	4.1
455.35373	1.8
473.36105	1.0
511.37274	3.4
529.38776	100.0
530.39105	1.2
537.52069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03930	2.9
53.22651	0.4
55.01858	2.0
55.05504	12.9
57.03423	3.0
57.07054	2.0
61.48592	0.4
65.03925	2.1
67.05492	45.1
68.71193	0.4
69.03420	1.0
69.07055	14.9
71.04971	2.4
71.08607	1.0
71.42352	1.3
71.42728	0.4
73.78320	0.6
77.03896	0.5
79.05479	36.5
81.03395	3.5
81.07042	50.9
83.04970	3.8
83.08601	10.7
85.06521	2.5
91.05463	22.4
93.07029	40.7
94.07340	0.6
95.04960	7.3
95.08589	25.5
97.06498	4.9
97.10150	1.8
99.08064	0.9
103.05461	0.6
105.04528	1.1
105.07014	15.7
106.64526	0.5
107.04916	0.9
107.08576	21.0
109.06499	1.6
109.10138	7.8
111.08054	2.8
115.05424	0.8
117.06989	8.6
119.08557	12.9
121.06487	1.1
121.09235	0.8
121.10122	16.8
123.08047	1.3
123.11675	3.1
125.09615	0.9
129.06943	3.0
130.07855	0.5
131.08546	15.2
133.10110	10.2
135.08006	1.0
135.11662	9.3
137.09598	0.8
137.13271	0.5
141.06999	0.9
142.07738	0.6
143.08527	4.2
145.10097	9.4
147.08057	0.9
147.11641	4.8
149.09587	0.8
149.13239	11.3
151.11145	1.1
155.08556	1.5
157.10089	4.3
159.11681	10.1
160.86203	0.4
161.09711	0.5
161.13165	3.6
161.56126	0.5
163.14793	0.7
167.08597	0.8
169.10109	2.2
171.11656	3.6
173.13254	4.6
175.14842	1.2
177.12685	2.8
181.10185	1.0
183.11656	1.9
185.13257	3.4
187.14819	2.0
193.12270	1.0
195.11983	1.0
195.13762	4.9
197.13301	1.5
199.14828	1.7
201.16420	1.1
209.13254	1.2
211.14824	1.4
213.14679	0.8
213.16539	0.6
223.14932	0.7
225.16353	0.9
243.21053	1.0
256.26617	0.6
259.20505	0.7
261.22192	2.0
263.19980	0.6
299.23734	0.9
313.24927	0.7
317.24875	0.7
321.50980	0.5
419.32996	1.3
437.34207	5.8
455.35199	3.1
473.36218	1.4
511.37839	3.4
529.38800	100.0
530.38788	1.3
550.27100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
53.04711	0.7
55.01853	1.7
55.05500	12.6
57.03431	3.3
57.07050	2.9
65.03914	2.3
67.05492	47.4
69.03412	1.2
69.07057	14.1
71.04967	2.5
71.79130	0.8
79.05477	31.8
81.03413	7.2
81.07042	48.2
83.04969	3.5
83.08607	8.8
85.06526	2.4
87.04428	1.3
91.05466	20.3
93.07028	41.6
95.04945	5.9
95.08594	24.2
97.06513	4.9
97.10146	1.3
99.08073	1.3
105.04510	1.1
105.07011	13.1
106.38551	0.6
106.48441	0.7
107.08576	22.2
109.06487	1.7
109.10112	7.2
111.08079	3.2
115.05412	0.6
116.83331	0.6
117.07005	7.8
119.08559	11.4
121.06512	1.3
121.10127	17.8
123.11705	2.4
125.09625	1.0
129.06972	2.7
131.08549	10.6
133.10117	8.5
135.08051	1.2
135.11656	8.7
137.09599	0.8
137.13235	0.6
139.11174	0.8
142.07780	0.9
143.08545	1.5
145.10115	6.2
147.11676	4.1
149.13229	16.4
151.11121	0.9
155.08511	1.1
157.10065	3.1
159.11690	9.2
161.13243	2.7
163.14856	0.7
169.10109	1.7
171.11667	1.9
171.68732	0.8
173.13269	2.7
175.11142	0.9
175.14760	2.0
177.12692	2.6
183.11693	1.3
185.13298	1.9
187.11278	0.6
187.14816	2.3
193.12254	2.2
195.12126	0.9
195.13701	4.0
197.13295	1.6
197.79944	0.6
201.16331	0.8
209.13327	1.0
259.20609	0.8
261.21964	3.7
263.23660	0.8
269.17493	0.7
280.62183	0.7
317.24646	1.4
357.25723	0.7
368.50980	0.7
419.32816	1.2
437.34235	4.0
455.35062	1.6
511.38153	1.9
529.38794	100.0
530.39398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.8
53.03941	2.9
55.01859	1.4
55.05258	0.9
55.05502	11.7
57.03431	2.8
57.03678	0.6
57.07056	1.8
59.83880	0.5
65.03925	1.9
66.80119	0.7
67.05494	40.3
69.03431	0.7
69.07059	11.6
70.06573	0.7
70.20741	1.2
70.21152	2.0
71.01914	0.6
71.04982	3.4
71.08600	0.7
73.38663	0.6
79.05481	31.3
81.03407	2.2
81.07043	47.5
83.04972	3.1
83.08609	7.5
85.06506	1.4
87.04472	4.2
88.07633	1.2
91.05468	23.1
91.56592	0.6
93.07029	38.1
95.04953	3.6
95.08595	22.8
96.08894	0.7
97.06524	4.7
97.10146	2.0
99.08095	0.8
105.04530	0.9
105.07012	13.8
107.08578	19.9
109.06505	2.1
109.10139	7.8
110.10518	0.6
111.08047	3.5
117.07019	6.9
119.08570	10.5
121.06485	1.5
121.10133	16.3
123.08051	1.5
123.11694	2.6
125.09622	0.7
129.06978	3.4
130.89777	0.6
131.08549	12.4
133.10114	10.2
135.08087	0.7
135.11690	8.2
139.11148	0.9
141.06953	0.7
142.07796	0.7
143.08528	3.4
145.10101	9.9
147.08084	0.7
147.11697	4.1
149.09508	0.9
149.13234	14.6
151.11243	0.8
155.08556	1.6
157.10091	3.3
159.11671	10.4
161.13205	3.1
163.14790	0.9
167.14357	0.8
169.10156	0.8
171.11696	2.7
173.13226	4.0
175.14781	1.4
177.12785	3.1
181.10060	0.7
183.11726	0.7
185.13239	2.9
187.14825	3.3
193.12282	1.1
195.12083	0.7
195.13815	4.1
197.13210	1.6
199.14784	1.2
201.16394	1.1
210.58870	0.6
211.14938	0.9
213.16489	0.8
243.20985	1.0
256.26367	7.6
261.22165	2.4
285.22202	0.8
286.51157	0.7
299.23608	0.6
301.47269	0.6
311.23233	0.6
317.24707	0.9
382.10526	0.8
410.10196	0.8
419.33041	1.4
437.34250	5.9
455.35098	2.2
473.36017	1.8
511.37793	2.5
529.38800	100.0
530.39221	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	529.388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03926	2.5
55.01855	1.7
55.05501	13.0
57.03419	1.4
57.07070	3.6
58.07384	0.7
65.03922	1.9
66.03661	0.5
67.05496	38.8
69.03388	0.7
69.07059	13.6
69.72604	4.2
70.06576	2.2
70.92576	0.5
71.04978	2.0
71.08617	1.4
74.09708	0.6
77.03895	1.1
79.05479	29.9
81.03410	0.8
81.07042	46.3
83.04965	2.6
83.08601	7.3
85.06517	1.7
88.07607	1.3
91.05465	23.2
93.07030	35.0
95.04951	4.4
95.07985	1.3
95.08590	23.0
97.06494	3.8
97.10146	1.6
99.08031	0.8
102.09138	0.8
103.05457	0.7
105.04477	1.2
105.07015	14.0
107.08572	18.2
109.06490	1.8
109.10137	8.9
111.08059	2.4
113.09675	0.5
115.05378	0.7
117.07005	8.6
119.08559	8.6
121.06419	1.0
121.10128	11.4
123.08055	1.4
123.11676	3.0
125.09633	0.9
129.02699	0.6
129.06969	3.0
130.07776	0.7
131.07620	1.1
131.08546	14.2
132.10214	0.8
133.10103	11.2
135.11679	8.6
139.11136	1.0
141.06992	1.0
143.08554	4.8
145.10107	8.8
146.11763	1.1
147.11653	4.6
149.13223	10.5
150.76784	0.5
151.11124	0.7
153.09067	0.7
155.08530	2.5
157.10109	3.4
159.11685	8.7
161.13248	2.6
163.14864	0.7
169.10089	1.9
171.11670	3.2
173.13254	4.9
175.14781	1.1
177.12692	1.8
181.10106	1.1
181.17580	0.6
183.11774	1.5
185.13245	2.7
187.14752	1.8
195.11940	1.0
195.13783	4.1
197.13246	1.5
199.14760	1.5
200.76662	0.7
201.16347	0.9
209.13275	1.2
211.14697	1.1
213.14656	0.8
213.16504	0.8
215.17912	0.9
223.14691	0.8
228.23207	1.6
229.23431	0.8
237.16489	0.7
243.20798	0.7
244.22722	1.8
245.23064	1.3
261.22092	2.6
272.25809	1.1
273.26135	0.7
283.26282	2.1
284.26648	2.1
299.23688	0.8
311.23798	0.8
311.29327	2.3
312.29663	2.9
317.24716	1.0
419.32990	1.3
431.30942	0.6
437.34177	5.5
455.35062	3.1
473.36014	1.9
496.17703	0.6
511.37839	4.7
512.30048	0.7
528.49780	2.6
529.38690	100.0
529.50049	17.9
530.39038	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.17
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
53.03923	0.7
55.01846	1.6
60.10044	0.4
65.03916	1.6
65.46652	0.5
67.05474	1.8
68.99780	2.2
69.56253	0.8
69.56664	3.7
75.21024	0.4
79.05479	3.0
81.03378	0.6
81.07040	1.0
83.04990	0.4
85.02884	1.0
91.05473	3.1
93.03402	0.5
93.07016	0.6
95.04948	4.2
95.08580	0.8
97.06515	0.7
103.05426	1.6
105.03335	0.5
105.07013	2.7
107.04930	5.5
110.83443	0.5
111.04401	1.3
115.05422	4.0
117.07014	5.9
119.04926	1.1
121.02843	1.2
123.04430	1.0
124.05179	0.9
125.06002	0.8
126.05469	0.5
127.03975	0.5
127.05428	1.4
129.06952	0.7
131.04903	2.7
133.02859	0.6
133.06453	3.9
137.05992	1.1
138.03061	0.6
140.04735	0.6
145.06462	12.7
147.04416	3.1
151.07523	1.4
153.05441	3.3
154.06218	1.2
155.04897	18.8
155.05946	1.0
155.07011	1.2
157.06447	0.9
159.04384	6.6
161.05983	1.6
163.03908	0.8
163.07512	0.8
167.07010	14.8
169.06409	0.5
171.06427	0.8
173.05957	25.8
175.03864	2.1
178.06221	1.4
178.07620	0.8
179.07013	4.3
179.08464	0.9
181.04935	21.3
181.08508	1.0
183.04390	17.2
187.07567	0.8
189.06947	1.4
193.04913	1.7
193.08609	3.3
194.09348	11.6
200.04784	0.7
201.05437	100.0
202.05870	1.0
202.07704	0.5
203.06935	1.2
203.08624	0.9
206.07184	1.0
207.07945	1.2
213.07095	0.7
219.06369	1.0
221.05902	0.6
221.09601	1.5
229.06380	0.6
230.07303	0.7
231.08049	3.6
233.06305	0.5
234.06755	2.7
235.07460	3.5
237.05469	0.6
241.06497	1.1
244.05130	0.5
245.06039	1.3
247.07387	0.7
248.08264	1.0
249.05540	0.5
249.09010	2.6
251.07008	1.1
252.07678	0.8
253.08528	0.7
258.06754	0.6
259.07526	7.4
261.05554	0.9
262.06183	2.0
263.06863	2.8
264.07800	0.8
265.04907	0.5
267.10095	0.9
273.05411	1.0
274.06250	0.6
276.07751	1.6
277.08521	4.2
279.06439	0.9
280.07297	1.4
281.08194	1.3
287.06989	5.9
291.06494	1.5
291.10123	2.4
294.08734	0.6
295.09570	2.2
302.35861	0.5
304.07086	1.1
305.08109	5.1
307.05954	0.8
308.06631	0.7
309.11127	1.1
319.09637	7.3
322.08316	0.9
323.09207	2.2
325.06793	0.7
327.12250	2.0
337.10635	12.9
355.11710	60.8
356.12094	0.9
373.12704	0.6
511.15625	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44265	0.5
53.03931	1.2
55.01848	2.1
55.05503	0.5
59.70684	0.4
65.03919	0.9
67.05474	1.5
70.06600	0.6
70.96484	0.5
79.05468	5.7
79.30715	0.5
81.03378	0.6
81.07024	1.2
84.08854	0.5
89.03885	1.0
91.05457	4.6
93.07027	1.1
95.04950	4.6
98.26292	0.5
103.04910	0.5
103.05451	5.1
105.03368	1.5
105.07013	27.5
107.04910	1.9
107.08580	0.7
108.05731	0.5
109.10139	0.5
111.04424	0.6
115.05427	8.2
116.06212	1.2
117.03345	1.0
117.06984	1.3
118.04128	2.4
119.04922	5.6
119.08516	0.7
121.02853	2.4
121.06483	2.8
123.04409	0.8
129.07016	0.6
130.04121	0.9
131.04915	5.0
132.05695	0.9
133.02827	6.5
133.06462	21.7
133.09981	0.5
134.07202	1.5
135.04395	2.7
135.07977	0.7
137.02325	1.3
137.05928	3.0
139.03786	0.7
143.04912	1.4
143.05980	0.8
144.05742	0.5
145.02802	1.3
145.06407	3.0
146.03539	0.6
147.04375	8.1
147.07956	1.2
149.05974	1.1
150.06700	1.2
151.07503	4.7
155.04890	0.7
158.80681	0.5
159.04366	2.1
161.02286	1.1
161.05956	7.6
162.06729	1.6
163.03874	7.4
163.07518	3.2
165.05428	3.7
165.09085	4.1
167.07001	11.1
173.05939	3.9
177.05424	3.6
178.06287	5.1
178.07710	1.1
179.03380	0.8
179.07002	10.1
179.08418	0.4
181.04904	4.6
181.08505	1.2
187.03879	10.5
188.04633	2.3
189.05415	2.0
192.07585	0.7
193.08566	44.9
194.09348	100.0
195.09874	0.9
201.05431	19.2
202.07689	0.6
205.06540	0.6
206.07245	1.3
207.07982	1.5
209.07956	1.0
210.08820	1.2
219.06389	2.5
221.05905	1.2
231.07977	1.1
233.05980	1.3
234.06717	4.7
235.07507	2.0
245.05977	0.8
247.07516	1.6
248.08356	1.0
249.05435	1.1
249.09180	1.4
251.07161	0.6
259.07620	0.7
261.05447	1.1
262.06271	2.5
263.07019	3.9
275.07144	0.7
276.07779	8.2
277.08585	5.1
279.06445	2.4
280.07227	2.1
281.07944	1.1
290.05670	0.8
294.08768	2.5
295.09628	2.3
303.06082	0.8
304.07251	2.0
305.08023	3.6
307.05811	0.5
313.10510	0.5
321.07443	1.0
322.08160	3.1
323.08868	1.0
337.10651	19.8
355.11691	59.1
372.32922	0.5
416.10294	0.5
511.15988	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.17
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
53.03924	0.5
55.01843	0.8
55.05482	0.6
56.93263	0.5
65.03903	2.1
67.05503	4.3
67.28539	0.5
69.03418	6.3
69.78812	1.8
69.79240	2.0
79.05460	0.6
81.03413	0.6
81.83102	0.5
83.04945	1.7
85.02882	0.8
91.05447	2.7
91.55088	0.5
93.03381	0.9
94.96256	0.5
95.04429	0.6
95.04948	4.7
99.04446	0.8
103.05424	1.5
105.07011	5.8
111.04453	4.2
113.05743	0.5
115.05396	1.2
117.06972	2.0
119.04913	0.7
119.08533	1.5
120.02073	0.7
121.02839	2.1
123.04437	2.3
127.03881	0.8
127.05388	2.7
128.06165	1.2
129.06987	8.1
131.04921	0.8
131.08507	0.9
137.02228	0.7
138.03088	0.7
139.03848	1.2
145.06473	3.7
147.04347	0.7
147.08047	3.8
155.04886	17.1
155.05960	1.0
155.06883	2.8
157.06418	1.9
160.05156	9.0
161.05875	1.8
166.02579	1.4
173.05954	75.8
174.06410	1.0
175.07516	35.1
176.07866	0.7
181.04930	20.2
181.06363	0.9
184.03613	1.1
191.06987	2.2
199.07526	0.6
201.05418	90.1
202.05881	1.2
217.06448	0.6
219.06450	9.5
221.09576	0.9
224.08386	0.7
227.06969	6.5
234.06699	0.8
235.07491	2.8
249.09047	1.5
251.06984	0.8
252.07655	1.7
255.06383	3.1
263.06958	3.2
266.09351	0.7
267.10156	1.6
268.07809	0.6
271.05832	1.0
277.08563	2.1
279.06622	1.1
280.07199	1.4
286.08353	1.0
287.09048	3.3
295.09659	2.9
297.07532	0.8
309.11182	0.7
312.09863	1.4
327.12256	1.6
355.11703	100.0
356.11963	3.1
359.23605	0.5
379.01645	0.6
486.56546	0.6
511.16003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01849	2.1
55.05492	0.5
57.03454	0.6
57.07055	0.6
64.31644	0.4
65.03910	0.7
67.05487	2.6
68.66383	0.5
69.07056	0.7
70.25681	1.9
77.03913	0.7
79.05481	5.8
81.03408	0.7
81.07031	1.4
83.04964	0.9
88.18463	0.5
89.03892	1.1
91.05463	3.8
93.07020	1.8
95.04966	5.2
95.08556	1.1
97.02928	0.5
97.06522	1.0
102.04645	0.7
103.05447	5.0
105.03395	2.0
105.07017	26.3
107.04931	2.1
109.10130	0.7
111.04454	0.8
115.05457	6.5
116.06226	1.4
117.03313	1.1
117.06980	1.6
118.04155	3.1
119.04964	5.4
119.08592	0.8
120.08078	1.0
121.02846	1.4
121.06506	2.9
123.04424	0.8
128.06247	0.6
130.04153	1.0
131.04909	5.3
132.05682	0.7
133.02832	5.1
133.06468	21.5
134.07224	0.8
135.04385	2.4
135.08022	0.9
137.02332	1.7
137.05907	3.1
138.02654	0.7
139.03850	1.2
143.04887	1.4
143.05934	0.6
145.02826	2.0
145.06476	2.8
146.03590	1.1
147.04393	9.3
147.08000	1.5
149.05954	1.5
150.06709	1.4
151.03941	0.9
151.07515	4.0
155.04903	0.9
159.04420	1.4
161.02306	1.3
161.05934	7.6
162.06699	1.3
163.03896	8.1
163.07523	3.4
165.05536	2.6
165.06728	0.5
165.09055	2.7
167.07031	9.8
173.05992	3.5
175.07480	0.7
177.05504	3.8
177.06879	0.8
177.09067	0.8
178.06259	5.4
179.03363	1.0
179.07010	9.4
179.08383	0.5
181.04953	3.7
181.08548	1.0
183.04349	0.7
187.03867	10.0
188.04672	2.9
189.05464	1.4
190.52957	0.5
193.08578	46.3
194.09361	100.0
195.09927	1.6
201.05438	17.8
202.07713	0.9
203.08496	0.8
205.06511	0.6
206.07217	1.0
207.08150	1.1
209.08035	1.0
210.08800	1.0
217.06447	0.6
219.06516	1.8
221.05980	1.2
221.09785	0.8
231.08028	0.6
233.06006	1.3
234.06758	3.3
235.07518	2.0
237.05370	0.6
247.07440	1.3
248.04620	0.8
248.08372	1.1
249.05511	1.3
249.09097	2.1
251.06938	0.6
259.07629	0.9
261.05441	1.4
262.06250	2.4
263.07004	3.1
265.05008	0.6
269.11664	0.5
273.05289	0.7
276.07767	6.9
277.08560	5.1
279.06485	2.0
280.07294	2.6
281.08054	0.8
291.06461	0.6
293.08148	0.8
294.08853	2.1
295.09625	2.8
304.07220	2.6
305.08057	3.9
307.05936	0.9
312.09558	0.7
313.10727	0.8
321.07434	1.4
322.08319	2.8
323.09094	1.3
337.10657	18.4
337.14114	0.8
355.11716	61.7
356.12057	1.2
455.55139	0.5
493.31610	0.8
511.15912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01854	3.2
55.05492	3.2
57.03415	1.1
58.73246	1.0
61.60003	0.9
65.03930	1.8
67.05486	5.6
69.03419	2.2
69.07040	1.6
70.06583	1.3
70.53287	4.2
79.05491	6.1
81.03391	2.4
81.07041	2.9
83.04970	8.4
85.02914	1.5
91.05458	4.6
93.07042	2.4
95.04962	6.5
95.08582	1.8
97.06513	3.5
99.89173	1.1
100.11257	1.2
103.05466	6.1
105.03385	3.1
105.07014	28.8
107.04950	3.3
107.08588	1.3
109.10122	2.1
111.04430	7.1
115.05437	5.3
116.06264	1.9
117.07037	1.1
118.04169	2.9
119.04919	5.3
119.08572	1.7
121.02818	1.4
121.06485	3.5
123.04434	1.6
123.08061	1.1
131.04918	5.6
133.02820	4.9
133.06467	19.8
134.07280	1.5
135.04367	2.8
137.05974	4.9
138.68361	1.1
139.03856	10.9
143.04915	1.8
143.05969	1.5
144.05681	1.4
145.06464	4.3
147.04384	7.4
149.05936	2.2
151.07524	4.9
157.04930	2.9
159.04315	1.9
161.05934	11.9
162.06731	1.6
163.03905	8.0
163.07527	3.8
165.05446	3.7
165.09094	4.4
167.07027	13.3
173.05972	6.2
176.61911	1.1
177.05452	3.2
177.09090	1.1
178.06174	5.8
179.07021	10.2
181.04919	7.0
181.08450	1.1
187.03867	13.9
188.04700	4.0
191.06877	1.6
192.07768	1.1
193.08577	42.5
194.09355	100.0
201.05428	17.3
205.04994	2.8
219.06374	2.4
221.06010	1.5
233.71205	1.0
234.06723	2.2
235.07567	2.1
237.09236	1.1
249.09079	1.2
251.06781	1.1
253.08534	1.4
263.06900	2.3
269.11725	1.3
276.07751	1.2
277.08664	2.4
279.06403	1.8
279.86859	1.2
280.07184	9.1
293.08136	1.5
295.09543	5.7
297.07474	2.0
305.08026	1.4
306.84024	1.0
312.09860	1.1
313.10593	1.4
322.08368	1.5
337.10599	4.1
337.14163	1.9
355.11713	74.8
367.24731	1.3
375.15424	3.6
376.15833	8.3
458.27484	1.2
475.13638	1.8
511.15887	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	529.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.4
53.03944	0.8
53.93241	0.3
55.01860	2.4
55.05469	0.4
57.03424	0.4
57.48626	0.4
65.03919	1.0
67.05471	1.6
69.63832	3.1
77.03908	0.4
79.05477	4.8
81.03379	0.5
81.12810	0.4
84.11054	0.3
89.03898	1.0
91.05470	3.4
91.59662	0.3
93.03387	0.4
93.07042	0.8
95.04951	4.7
98.20676	0.7
102.04659	0.8
103.05444	5.5
104.06221	0.5
105.03329	0.8
105.07013	26.6
105.34341	0.4
107.04950	2.2
107.08607	0.3
109.06519	0.6
109.10098	0.7
111.04413	0.7
115.05431	7.4
116.06240	2.0
117.03325	0.9
117.07004	1.5
118.04147	3.0
119.04919	5.1
121.02834	1.6
121.06486	2.2
123.04385	0.9
123.08005	0.4
130.04082	0.9
131.04909	5.1
132.05669	1.2
133.02834	5.3
133.06468	20.1
134.07285	1.8
135.04390	2.4
135.08063	0.6
137.05957	3.5
139.03859	0.7
143.04866	1.5
143.05956	0.8
144.05676	0.5
145.02808	1.4
145.06454	5.0
146.03581	1.5
147.04375	6.7
147.08008	1.2
149.05943	1.2
150.06718	1.3
151.03906	0.6
151.07518	4.4
153.05418	0.5
155.04845	1.3
155.05942	0.4
159.04384	1.1
160.05168	0.8
161.02354	0.9
161.05948	7.9
162.06728	1.0
163.03876	8.8
163.05275	0.5
163.07515	3.9
165.05440	3.7
165.09085	3.2
166.02533	0.4
167.07013	13.6
173.05948	5.1
175.07509	0.5
177.05487	2.3
177.09038	0.8
178.06250	6.4
178.07689	0.5
179.06990	10.7
180.07744	0.6
181.04929	6.2
181.08487	0.9
183.04388	1.1
185.72011	0.4
187.03876	14.7
188.04655	5.5
189.05472	2.1
189.06900	0.4
192.07837	0.9
193.08572	44.6
194.09352	100.0
195.09740	0.8
201.05435	19.2
205.04832	0.5
205.06551	0.5
206.07220	1.1
207.06306	0.8
207.08078	0.8
209.07968	0.6
210.08733	0.7
219.06451	1.8
220.05095	0.4
221.05905	1.5
234.06738	2.9
235.07431	1.3
237.05356	0.6
238.06387	0.4
247.07550	0.4
249.05429	1.2
249.09059	1.1
251.06750	0.4
253.08540	0.5
256.09552	0.3
259.07578	0.4
261.05423	0.4
262.06226	1.3
263.07025	1.5
265.04904	0.6
273.05408	0.4
276.07584	1.7
277.08646	2.2
279.06500	1.0
280.07254	11.0
281.08035	1.3
283.05923	0.5
290.31192	0.4
291.06567	0.7
294.08807	0.9
295.09613	7.3
297.07452	0.7
298.08286	0.5
305.08090	1.4
311.09265	0.9
312.09756	0.7
313.10651	1.5
322.08313	1.2
323.09076	0.9
327.12100	0.6
337.10580	3.8
355.11707	67.9
356.12344	0.7
511.15967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.05499	4.8
56.05020	4.7
57.07065	16.3
67.05502	8.9
68.05008	2.6
69.07056	8.5
70.02959	3.3
70.06585	8.8
71.08621	17.5
71.83037	1.7
73.02919	1.2
79.05483	4.8
80.05019	3.3
81.07050	17.1
82.06567	1.6
83.04977	1.1
83.08611	3.5
84.04516	2.2
85.10174	8.7
89.06027	2.2
91.05482	3.7
93.05762	1.5
93.07041	4.7
94.06561	3.7
95.04973	2.9
95.08591	17.1
97.06557	1.7
98.06034	5.7
105.07009	2.9
107.08582	2.1
108.08118	2.8
109.06550	1.1
109.10136	1.9
119.08614	1.6
121.10120	2.2
123.04421	3.3
129.06998	1.1
131.04945	1.8
131.08519	1.5
137.05943	2.1
145.10115	1.6
149.05963	3.2
151.03925	3.3
155.14330	3.9
157.06538	1.3
157.10127	1.5
162.05486	1.7
164.07164	1.9
175.07617	2.1
176.07123	2.2
177.07973	2.0
178.08713	1.5
179.03452	1.1
184.07529	1.2
190.08679	2.6
192.10245	3.8
192.17461	2.8
198.18513	2.0
200.07031	2.2
200.20137	1.6
202.08633	9.9
204.06558	11.9
205.05070	1.6
206.19089	5.2
210.18513	19.7
218.08199	4.7
219.08925	1.5
220.09627	9.7
224.17885	2.7
224.20065	41.9
224.22174	2.3
232.09669	3.3
244.22784	1.6
277.18018	2.0
283.26376	4.2
300.23221	1.3
302.21207	4.0
305.17542	3.7
318.20572	1.9
328.22729	4.1
330.20612	8.8
331.19064	2.4
338.21146	1.7
340.19116	1.5
344.22128	3.2
346.23801	5.2
356.22180	21.7
356.25873	1.2
374.23141	24.3
374.27039	2.4
492.35449	1.5
510.35727	55.8
511.36392	1.5
528.36865	100.0
528.43964	15.1
528.50269	11.8
529.38501	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	528.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59591	0.4
55.01849	1.3
55.05495	2.7
56.05023	6.4
57.03413	0.6
57.07065	10.8
67.05492	7.0
68.05012	2.0
69.03439	0.5
69.07063	6.4
70.02422	2.8
70.02930	2.8
70.06203	0.5
70.06577	7.0
71.08617	13.0
72.04482	1.5
79.05475	2.5
80.04997	3.9
81.07040	11.5
82.06554	1.3
83.04961	0.7
83.08609	2.1
84.04480	2.7
84.08147	0.7
84.39568	0.5
85.05240	0.6
85.10162	6.8
88.61543	0.5
91.05450	2.0
93.05773	0.7
93.07028	2.2
94.06558	3.4
95.04948	1.2
95.08586	11.9
96.04479	1.6
97.06499	1.1
97.10133	0.6
98.06030	4.9
103.05451	1.3
105.07018	1.5
107.04922	0.6
107.08588	1.7
108.04460	1.7
108.08105	1.6
109.06513	1.1
109.10138	1.7
112.07579	1.1
115.05450	0.5
119.04922	0.6
119.08585	0.5
121.06493	0.6
121.10131	0.6
122.09624	0.5
123.04451	2.6
123.11691	0.7
126.09120	0.9
129.06993	1.5
130.06497	0.6
131.04906	1.9
131.08530	0.5
133.06477	1.0
134.05975	0.8
137.05959	2.5
137.13194	0.7
143.08600	0.5
145.06438	1.4
146.09628	0.6
147.04416	2.6
147.06900	0.6
147.08040	0.8
147.11653	0.6
148.07542	0.6
149.05962	4.0
150.09074	0.7
151.07516	0.8
153.76950	0.6
155.14313	3.0
156.08072	1.6
157.06490	1.0
159.04373	0.6
159.08063	0.9
160.07547	0.7
161.06018	1.3
162.05486	1.0
163.03838	1.1
163.06319	1.1
163.07547	1.0
164.07050	2.1
165.01836	0.5
165.05498	1.0
165.80890	0.5
171.07986	0.6
172.07536	1.2
173.05972	1.5
174.09120	2.6
175.06219	0.7
175.07495	2.3
176.07047	2.5
177.05432	1.7
177.07765	2.5
178.08563	4.0
184.07571	1.5
185.05952	1.0
186.09178	0.8
188.06956	0.7
190.08611	5.8
191.06987	2.0
191.09396	1.1
192.06589	1.4
192.10165	6.0
192.17442	2.8
198.09227	0.8
198.18533	2.9
199.07684	0.6
200.04715	0.5
200.07047	1.7
201.05533	0.8
201.07834	2.3
202.08586	11.8
203.06969	0.7
204.06534	19.9
204.10173	1.0
205.04955	0.8
206.18996	3.6
207.10098	0.6
208.16924	0.7
210.18497	30.7
214.08649	0.8
218.08073	6.1
219.06578	1.9
219.08853	2.3
220.09654	16.4
224.20058	24.1
230.08084	0.6
232.09644	4.4
238.08595	0.5
243.08986	0.8
249.18495	0.7
277.17972	2.1
283.26175	1.0
286.21637	1.0
300.23300	0.9
302.21005	4.9
303.19522	0.6
304.22653	1.4
305.17471	1.6
306.11267	0.6
312.19360	0.6
313.17752	0.9
314.21112	0.7
318.20581	4.3
319.18921	0.6
326.21286	0.8
328.22614	6.2
329.20923	0.6
330.20584	17.6
331.19205	1.8
332.22238	0.6
334.31079	1.2
338.21176	1.9
344.22159	1.5
345.22937	1.0
346.23648	7.4
356.22150	37.7
357.22473	0.8
358.20035	2.3
374.23169	27.7
454.36722	0.6
464.34891	0.6
482.36108	2.3
495.11575	0.5
500.37149	2.1
510.35730	79.6
511.35736	2.3
528.36768	100.0
529.37048	3.7
532.00879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.9
57.03421	4.5
57.07064	11.5
59.04985	4.4
61.44412	1.1
67.05482	4.3
69.03423	17.9
69.07057	53.8
70.73296	1.0
71.04983	4.6
71.08617	10.6
73.06543	10.8
79.05485	2.4
81.03408	1.9
81.07047	2.1
83.04964	2.2
83.08618	2.4
85.02898	12.6
85.10174	3.3
87.04447	14.6
89.06018	31.0
91.05489	1.6
93.07034	2.4
95.04977	1.8
97.02876	15.3
97.06520	3.5
98.06049	1.0
99.04459	1.8
105.03356	4.6
105.07018	2.6
107.05007	1.4
109.10143	1.6
110.10445	1.1
111.04425	2.6
111.11700	84.4
115.03912	14.6
115.05330	1.3
119.08566	1.4
120.08112	2.0
121.02849	6.4
121.06403	1.2
122.03193	1.5
129.12737	100.0
133.04961	13.5
137.05940	1.4
139.03870	1.6
145.04924	1.5
161.06001	1.2
163.03897	1.6
165.07022	1.1
179.06967	1.3
193.08580	2.7
194.09377	7.2
199.16905	25.3
201.05417	1.6
217.17961	41.6
231.89262	1.1
241.09930	1.3
277.08789	1.5
283.15405	1.3
355.11703	6.2
375.15265	8.9
510.18338	2.0
510.27438	1.4
528.19501	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	528.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01857	8.2
55.05503	23.5
57.03432	15.1
57.07051	7.0
59.04977	4.1
66.55262	2.0
67.05494	29.3
69.03407	4.4
69.07064	10.4
71.04972	6.7
71.08626	4.8
71.78833	3.1
79.05474	30.9
81.03403	59.0
81.07042	34.7
83.01310	8.7
83.04964	22.7
83.08601	26.9
84.60857	1.9
85.02892	21.5
91.05453	31.6
93.06489	3.2
93.07028	30.7
95.04948	26.1
95.08585	17.6
97.02871	3.7
97.06494	6.3
97.10125	3.9
99.08131	1.8
105.07011	21.5
107.04957	13.0
107.08565	15.8
109.06509	7.4
109.10104	5.2
111.04437	3.9
111.08074	9.3
117.06995	7.5
119.08569	23.0
121.06479	4.6
121.10130	12.3
123.08041	9.3
129.07016	11.2
131.08559	11.5
133.06451	2.1
133.10106	11.8
135.11703	11.2
137.09627	3.0
145.10092	14.0
147.08061	4.2
147.11639	13.0
149.09608	7.2
153.01801	11.1
153.12650	3.3
154.02118	2.4
154.16812	2.0
155.08493	2.1
157.10101	13.3
163.11153	24.0
173.09570	3.4
175.11198	12.2
181.12178	2.4
191.10651	2.9
193.12231	42.3
209.11729	6.6
211.13268	83.2
219.06520	2.8
227.12772	4.7
254.05357	2.6
267.15848	18.5
281.04324	4.0
282.04749	5.7
283.15369	100.0
285.03851	2.6
285.16898	62.4
298.04810	2.7
299.05215	2.7
311.05600	3.8
312.05740	3.3
327.04935	31.0
328.05295	40.6
383.22089	2.5
457.25967	2.6
475.26941	18.0
482.22540	3.8
492.20618	2.6
493.27875	87.7
494.28180	2.7
510.21942	36.7
511.16000	5.9
529.16901	4.7
529.96881	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05500	0.4
55.20552	0.4
57.07077	0.4
57.13806	0.4
60.54466	0.5
69.03426	1.6
70.06580	99.2
71.78846	0.9
72.08121	0.5
79.05492	0.9
81.03414	1.6
81.07053	1.3
83.04973	0.5
85.02885	2.1
86.06043	0.7
91.05496	1.0
93.06997	0.7
95.04954	1.2
95.08620	0.5
97.02895	0.6
97.06511	0.5
99.04436	1.3
105.03395	0.5
105.06984	1.0
106.07372	0.4
107.08581	1.6
109.02867	5.5
109.06525	1.4
110.07123	0.5
112.07587	100.0
113.07907	1.1
116.07079	3.7
119.08521	0.5
121.10128	1.4
127.03899	3.3
133.10155	0.8
139.32214	0.4
140.07040	59.4
148.15485	0.4
153.09109	0.8
158.08099	21.9
165.05627	0.5
173.13260	0.9
190.29649	0.5
191.14307	0.5
200.09203	2.2
209.15378	2.2
224.09103	0.5
230.10143	1.2
266.10199	5.1
281.29129	0.4
284.11249	19.8
284.14407	1.0
302.09009	1.0
302.12320	15.5
302.15775	0.9
320.13245	1.8
328.85947	0.4
366.25027	0.6
440.44946	0.4
456.52716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.2
61.02913	0.3
63.02367	0.3
63.59082	0.2
65.03930	2.2
67.05487	0.7
67.88388	0.2
69.03415	0.7
69.07074	0.5
69.56408	0.4
69.56808	2.1
70.06570	0.3
79.05478	0.6
80.19128	0.2
81.03399	0.6
81.07039	0.6
85.02901	1.2
86.09660	0.4
91.05466	100.0
92.05797	1.1
93.07043	0.4
95.04970	0.2
95.08601	0.4
97.02879	0.5
104.10714	0.3
104.71815	0.3
105.07009	0.4
107.08600	0.4
109.02871	0.5
109.10175	0.4
127.03895	0.2
139.37335	0.2
145.37491	0.3
147.04456	0.2
149.13100	0.2
149.42334	0.2
153.00038	1.2
153.01848	0.3
156.05286	0.2
167.01624	0.5
168.99525	8.5
179.01665	0.5
184.07318	0.3
195.01073	0.9
213.02182	0.3
237.17819	0.2
241.01561	4.5
259.04214	0.6
269.17310	0.5
271.02695	0.3
327.16370	0.2
330.20505	0.2
331.06345	4.0
343.22464	0.2
349.07346	19.4
350.07788	0.6
351.25436	0.4
353.20160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
53.03934	2.9
55.01863	2.8
55.05500	13.3
57.03424	2.2
57.07051	1.4
59.04991	0.8
65.03938	1.6
67.05491	26.9
69.03407	1.3
69.06725	0.5
69.07055	7.2
71.04962	1.9
71.48633	0.6
79.05008	0.8
79.05476	20.1
81.03402	26.5
81.07038	23.4
83.04964	2.4
83.08605	10.4
85.06508	1.2
91.05461	16.8
93.07024	20.5
93.15898	0.4
95.04945	10.3
95.08588	14.7
97.02860	0.8
97.06494	1.6
97.09554	0.6
97.10154	7.3
99.08090	0.8
103.05496	0.3
105.07008	14.0
107.04926	2.5
107.08573	12.8
109.05811	0.4
109.06487	1.8
109.10134	9.3
111.04409	0.5
111.08056	3.6
113.09589	0.3
115.05420	1.1
116.06219	0.4
117.07000	7.6
119.08559	12.0
121.06486	1.1
121.10117	9.7
121.10796	0.2
123.04403	0.4
123.08035	1.1
123.11674	1.4
125.09608	5.6
128.06210	1.4
129.06976	7.0
130.07753	0.4
131.08542	13.3
133.06439	1.1
133.10103	7.3
135.08023	1.4
135.11656	5.7
136.11929	0.4
137.09596	1.4
137.13184	0.6
141.06929	1.7
142.07767	1.6
143.08540	6.1
145.06389	0.5
145.10103	8.1
147.08003	1.6
147.11659	5.8
149.09573	1.6
149.13213	2.7
153.09148	0.5
155.08546	3.2
156.09134	0.4
157.10106	7.9
159.10371	0.5
159.11679	6.0
161.09639	0.6
161.13248	2.4
163.11127	0.6
163.14803	0.8
165.07057	0.5
167.08563	1.4
169.10123	4.3
171.11652	4.2
173.09515	0.5
173.11740	0.8
173.13193	4.7
175.11148	2.8
175.14772	1.7
179.08461	0.5
181.10068	2.2
183.11656	3.3
185.09579	0.4
185.13231	4.1
187.14740	2.0
189.11154	3.2
193.10323	0.8
193.12199	11.9
193.13966	0.6
195.11676	2.1
197.13220	3.0
199.14754	2.4
201.16313	0.7
204.84915	0.3
209.13206	2.2
211.10930	0.4
211.14825	1.5
212.82487	0.3
213.16356	1.2
215.17873	0.4
216.39160	0.3
221.13181	0.5
223.14824	0.7
225.16356	0.9
231.13797	0.4
235.14798	0.8
243.21101	1.5
249.14659	2.3
250.89267	0.4
251.17981	0.4
261.19406	0.5
261.22067	4.0
267.15860	1.3
269.18887	0.4
273.22037	0.6
275.20111	0.5
281.22531	0.4
283.20630	0.3
285.22018	0.4
297.22141	0.4
299.23618	1.1
301.25204	1.5
301.89453	0.4
307.20847	0.4
311.23499	0.8
315.23111	0.6
317.24695	1.1
323.23669	0.7
325.25266	0.6
327.23218	0.7
329.24997	0.5
335.23657	0.4
337.25040	0.7
341.24664	0.7
417.31558	2.6
425.33850	0.6
432.38101	0.4
435.32513	7.1
453.33469	7.3
454.34299	0.4
471.34720	4.9
473.34586	0.5
509.36365	3.6
527.37225	100.0
528.37628	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	527.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38323	0.2
51.02351	0.5
51.90126	0.3
53.03942	1.7
55.01843	0.9
55.05501	6.3
57.03435	1.9
57.07053	0.4
63.02357	0.4
65.03909	1.0
67.05495	16.7
69.03410	0.6
69.07059	3.3
69.09162	0.2
70.20210	1.5
71.04967	0.7
73.85609	0.3
79.05479	17.8
81.03404	5.8
81.07043	13.1
81.07527	0.6
83.04925	1.2
83.08234	0.2
83.08614	2.7
85.06513	0.6
89.03896	3.7
91.05466	13.7
93.07028	14.5
95.04951	4.4
95.07983	0.5
95.08590	8.4
97.06512	0.8
97.10147	2.0
98.21317	0.5
103.05448	0.4
104.15005	0.3
105.04488	0.5
105.06309	0.5
105.07009	9.1
107.04929	0.7
107.07893	0.4
107.08575	7.0
109.06490	0.8
109.10136	2.9
111.08052	0.7
115.05424	0.6
117.03362	12.1
117.07003	3.6
119.08566	6.0
121.06461	0.8
121.10127	5.4
123.04353	0.2
123.08031	0.3
125.09591	1.2
128.06219	0.6
129.06981	2.2
130.07703	0.4
131.08549	4.5
133.06467	0.4
133.10115	3.6
134.03639	0.8
135.04410	0.9
135.08029	0.4
135.11652	3.1
137.05983	0.3
137.09575	0.5
142.07715	0.3
143.08543	2.1
145.02823	34.1
145.10112	2.7
147.11632	2.2
149.05954	4.2
149.09621	0.5
149.13235	1.4
151.11124	0.3
155.08516	0.5
157.10092	2.3
158.05992	0.6
159.11678	2.0
161.13222	1.2
163.03909	0.5
163.14818	0.5
165.12721	0.4
169.10115	0.7
171.11650	1.2
173.11967	0.3
173.13252	1.2
175.11165	0.7
175.14835	0.8
177.05438	100.0
178.05766	0.8
181.10016	0.4
183.11642	0.8
185.13249	0.9
186.05469	2.4
187.14754	0.8
189.11137	0.8
193.12222	2.5
195.06487	0.9
195.11653	0.5
197.13258	0.7
199.14761	0.8
209.13229	0.3
211.14795	0.3
223.14928	0.4
243.21042	0.4
249.14812	0.4
251.09128	2.3
251.92253	0.3
259.20441	0.7
261.22107	0.9
299.23770	0.4
301.25275	0.5
311.23471	0.3
314.87045	0.3
315.23227	0.4
317.24454	0.3
333.24149	1.3
417.31616	0.5
435.32379	1.5
453.33719	2.0
471.34561	1.3
509.35947	0.6
527.30243	1.6
527.37213	23.6
552.85925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01847	1.0
55.05497	6.3
57.07059	10.6
65.69350	0.6
67.05494	6.6
68.99761	2.8
69.03386	0.8
69.07057	3.8
69.50156	0.6
70.06557	0.8
71.08622	4.4
71.80956	0.6
79.05472	1.5
81.03386	2.8
81.07043	5.8
83.08611	3.3
85.10152	2.8
86.09641	1.0
91.05455	1.2
93.00504	0.6
93.07030	1.7
95.04955	1.1
95.08590	7.7
97.06492	0.8
97.10145	2.4
105.03378	5.2
105.06985	1.2
107.04940	0.7
109.02861	1.0
109.10129	2.9
111.00790	4.4
116.23306	0.7
116.55030	0.7
117.06955	0.9
119.08521	0.9
121.02839	1.2
121.06421	0.8
127.03870	2.1
129.06982	0.7
131.04893	0.8
131.08569	0.8
135.11635	0.7
137.02318	41.3
137.03429	2.2
138.02605	0.9
143.04962	0.8
146.61917	0.6
147.04362	2.3
153.01797	34.5
155.04872	0.6
157.10074	1.0
159.04453	0.9
161.02318	1.8
161.05965	1.2
162.09081	0.9
163.03751	1.7
165.01813	1.3
169.06393	1.0
169.10014	0.7
171.02928	0.7
173.02223	1.0
173.05873	1.6
175.03844	1.7
181.01338	0.9
181.06424	1.1
183.04372	1.5
185.05968	0.8
187.03848	2.7
189.05434	2.5
191.03384	2.3
192.10136	1.2
193.10464	0.9
197.05968	2.2
199.03882	0.9
201.05453	1.1
203.03342	1.6
207.02832	2.4
211.03911	1.2
211.07494	0.7
213.05484	1.4
215.03384	5.4
217.04874	1.6
219.02827	2.6
224.34312	0.7
225.05341	2.2
229.04935	3.0
235.02284	2.1
237.05432	3.8
241.04926	1.0
243.02837	5.4
243.06465	1.0
251.01984	1.1
252.04158	1.0
253.04929	14.1
253.16460	0.8
257.04425	1.6
265.04919	6.5
269.04410	1.7
271.05917	2.1
273.03864	1.0
281.04379	39.4
282.04898	1.7
285.03888	9.2
293.04388	1.9
295.05917	2.2
295.09189	0.7
297.03900	7.5
298.04639	8.3
299.05457	9.5
301.03326	0.8
309.03873	12.8
310.04257	0.8
311.05432	40.4
313.03354	4.7
313.06738	1.0
315.04837	1.6
315.19513	2.0
323.05429	4.2
325.06946	0.7
326.03915	1.1
327.04922	100.0
328.05283	3.3
329.02893	2.2
337.03516	1.0
339.04895	0.9
341.02750	1.1
341.06583	1.0
345.05942	8.7
351.05051	0.9
355.19031	6.1
364.24829	0.7
365.06448	1.2
365.25101	4.4
369.57803	0.7
383.18497	1.7
463.21100	4.1
467.17429	1.5
473.19000	0.7
481.22150	14.3
491.20618	6.5
495.16232	2.1
509.21680	48.5
510.21786	3.1
513.17505	20.2
514.17816	1.3
527.11273	1.3
527.19043	21.0
527.36926	1.8
528.19330	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25613	0.3
55.05499	3.2
55.66885	0.3
56.36619	0.3
57.07062	11.4
59.45660	0.3
67.01820	0.3
67.05492	5.3
68.99779	1.9
69.03412	0.3
69.07061	1.8
69.80179	2.3
71.08616	5.6
79.05450	0.7
81.03378	0.5
81.07037	4.4
83.08592	2.2
85.10173	2.1
91.05448	0.5
94.58936	0.3
95.08584	6.5
97.10094	0.6
105.03362	0.3
109.02876	0.3
109.09506	0.3
109.10135	3.6
111.00784	1.9
123.04394	0.6
123.11690	0.5
129.06924	0.4
131.04869	0.7
137.02293	0.7
139.03830	0.8
147.04356	1.4
149.05911	0.4
152.86517	0.3
153.01796	18.7
157.02768	0.4
157.06549	0.5
159.04289	0.6
161.02257	1.7
163.03833	1.3
165.01822	1.7
169.06439	0.4
170.95682	0.3
171.02869	0.4
171.04326	0.5
173.02269	0.9
173.05925	0.4
175.03860	1.2
181.01239	0.4
183.02869	0.6
183.04376	0.5
183.17410	1.8
185.05911	0.9
187.03870	1.9
189.05432	0.7
191.03346	0.7
197.05913	1.4
199.03873	1.0
201.05388	0.7
203.03400	1.6
211.03766	0.5
213.05457	0.4
214.45799	0.4
215.03342	0.9
217.04832	0.8
219.02788	0.7
225.05397	1.4
227.06941	0.4
229.04836	0.9
237.05370	1.0
239.03337	0.7
241.04948	0.3
242.05704	0.9
243.02901	2.2
243.06367	0.6
244.90895	0.4
252.04099	1.2
253.04909	8.1
257.04401	0.5
259.05887	0.4
265.04926	1.3
269.04349	1.5
270.05194	0.9
271.05878	1.5
272.87817	0.3
281.04401	16.1
281.07584	0.8
282.04919	0.7
285.03918	2.9
293.04492	0.4
294.04895	0.4
295.06058	0.7
297.03839	2.3
297.06696	0.4
298.04626	10.0
299.05460	7.8
300.05536	0.5
309.03799	4.1
310.04556	0.4
311.05426	8.9
312.05649	0.6
313.03384	2.4
315.04984	1.1
315.19839	0.4
323.05450	1.4
326.04190	0.5
327.04926	100.0
328.05313	3.0
337.03445	0.5
339.05045	0.4
343.04453	0.6
345.05963	5.1
355.19006	1.0
453.22873	0.4
463.21075	1.0
475.20734	0.4
481.22092	4.9
491.20749	2.9
500.14612	0.3
509.21625	54.6
510.22165	3.5
527.22809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.2
55.01832	0.4
55.05499	3.5
57.07063	11.0
65.03916	0.3
66.55971	0.2
67.05489	4.4
68.99775	1.5
69.03378	0.3
69.07047	1.8
70.06549	0.4
70.76780	0.2
71.08615	5.0
71.81165	0.5
75.09393	0.2
79.05463	0.6
80.86952	0.2
81.03375	0.4
81.07035	3.5
83.08598	1.8
85.10167	2.1
91.05423	0.6
93.06959	0.8
94.03794	0.2
95.04945	0.3
95.08012	0.4
95.08590	6.9
97.10105	0.8
100.77977	0.2
105.03324	0.9
105.06980	0.4
109.02862	0.3
109.10138	3.1
111.00774	2.1
115.05425	0.3
119.04905	0.3
121.02818	0.4
123.11658	0.3
127.03874	0.3
129.06976	0.3
131.04866	0.5
137.02309	2.9
139.03833	0.5
145.02824	0.4
145.06438	0.3
147.04399	1.6
149.05952	0.3
153.01791	17.8
154.02237	0.2
155.04884	0.3
157.06390	0.4
159.04340	0.4
161.02325	1.9
161.05930	0.6
163.03831	1.1
163.77249	0.2
165.01794	1.7
169.06477	0.6
171.02878	0.3
171.04292	0.3
171.08041	0.3
173.02258	1.0
173.05971	0.4
175.03856	1.0
177.05400	0.2
181.01321	0.3
181.06357	0.4
183.02809	0.5
183.04323	0.5
183.17393	1.6
185.05911	0.8
187.03862	1.6
187.07410	0.3
189.05403	1.0
191.03323	0.9
197.05846	0.8
199.03859	0.5
199.07466	0.3
201.05386	0.5
203.03339	1.6
209.06024	0.3
211.03925	0.6
212.56639	0.3
213.05374	0.6
213.09111	0.2
215.03328	1.5
215.06831	0.3
217.04889	0.8
219.02814	0.7
225.05356	1.2
227.06950	0.3
229.04890	0.8
237.05409	0.9
239.03397	0.5
241.04877	0.5
242.05656	0.7
243.02821	1.5
243.06493	0.6
252.04077	0.7
253.04918	6.8
254.05324	0.3
255.06485	0.3
257.04419	0.6
265.04944	1.7
269.04367	1.3
270.05176	0.9
271.05948	1.6
280.03723	0.3
281.04388	14.7
282.04980	0.5
284.03140	0.3
285.03836	2.6
293.04370	0.6
293.79572	0.2
295.05954	0.6
297.03949	1.8
298.04660	9.2
298.08047	0.5
299.05444	7.5
309.03909	4.2
310.04477	0.4
311.05438	7.2
313.03372	1.9
313.06580	0.4
315.04733	1.1
315.19693	0.3
323.05331	1.4
326.04175	0.5
327.04922	100.0
328.05316	1.9
337.03296	0.5
337.06961	0.4
339.05002	0.8
341.06622	0.6
343.04327	0.7
345.05997	4.6
351.04758	0.3
355.04089	0.3
355.19156	0.6
453.22736	0.3
463.21054	1.0
481.22125	4.9
482.22522	0.3
491.20670	3.1
509.21622	52.7
510.21994	2.0
513.17487	0.9
527.18567	0.7
527.22662	0.6
527.29309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05503	0.7
55.24768	0.7
65.03937	0.7
67.05499	3.5
70.27208	3.3
77.03867	0.7
79.05476	3.1
81.03395	3.1
81.07032	1.5
83.08663	0.7
85.02866	1.0
91.05477	2.0
91.32057	0.6
93.07027	1.5
95.04950	1.2
95.08578	1.0
105.03361	2.0
105.07014	17.7
106.06528	1.2
107.04935	18.7
107.08573	0.9
109.02850	1.4
109.10135	1.9
111.04424	1.4
111.08060	0.8
117.68098	0.6
119.04929	1.1
120.04448	3.2
121.02871	3.4
122.09646	5.7
123.04424	2.4
125.09588	0.6
127.03893	2.5
134.05995	9.4
135.04456	12.4
135.06773	100.0
136.07571	10.6
137.02321	79.7
160.11662	0.6
173.11760	1.0
193.60153	0.6
194.73849	0.6
199.07446	1.0
214.94058	0.7
218.91830	0.7
227.12807	0.7
240.10298	0.8
244.09669	1.0
253.04836	3.1
258.11234	22.4
268.09732	0.9
270.07568	18.1
271.08356	34.3
272.09140	13.7
330.18204	0.7
374.13855	7.9
391.16443	12.5
394.12656	2.4
401.17639	0.7
509.17584	0.7
527.17908	1.0
527.28564	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.2
57.07066	3.2
61.16373	0.3
62.83879	0.3
65.38811	0.3
67.05495	1.8
69.07040	1.6
69.80161	1.3
69.80569	0.9
71.08622	2.1
79.05482	0.9
81.03414	0.8
81.07050	2.0
83.04952	0.5
83.08594	0.5
85.02901	0.4
85.10165	1.2
89.06008	4.4
91.05461	0.9
93.07012	0.7
93.77174	0.4
95.04935	1.4
95.08590	1.6
98.20993	1.2
105.07029	1.1
107.08572	0.4
109.02872	1.2
109.10106	0.6
119.08578	0.4
120.08082	0.5
123.04391	1.3
125.05867	0.4
130.06497	0.4
133.08549	3.0
137.05994	0.4
172.11209	0.5
176.60204	0.4
177.11235	1.0
181.96649	0.3
193.12027	0.3
207.17424	1.5
235.16895	1.2
249.18576	1.7
327.20010	2.8
361.30939	100.0
362.31332	3.3
372.25296	1.7
453.35376	0.4
526.40997	0.3
526.51923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22455	0.2
53.03938	0.3
54.67865	0.2
55.05502	1.0
57.03421	1.1
57.07064	2.6
57.76907	0.2
59.04989	0.4
60.04494	0.3
67.05492	3.5
69.03414	3.8
69.07059	2.6
70.06578	0.4
71.08599	0.6
71.54960	0.4
71.55321	0.2
79.05480	1.8
81.03411	0.4
81.07042	28.6
82.07388	0.3
83.08602	0.3
85.02888	4.3
87.04456	3.6
91.05474	0.7
93.07033	1.2
95.04942	0.3
95.08590	35.2
96.08934	0.4
97.02875	4.5
97.06503	0.9
99.04440	0.4
103.03922	0.2
103.77572	0.2
105.03365	0.6
107.04935	0.3
107.08571	0.8
109.10143	2.4
111.04395	0.3
115.03914	7.5
119.08512	0.4
121.10134	0.4
123.11684	0.8
124.12001	0.4
125.09628	0.4
125.22849	0.2
127.03873	0.9
129.57378	0.2
131.04889	0.4
133.03932	0.3
133.04944	6.3
135.11667	0.4
137.13229	100.0
138.13615	0.8
145.04935	1.5
149.13177	0.3
163.03889	0.8
197.15340	26.3
226.78487	0.2
233.11725	1.0
236.20964	0.3
241.07005	0.3
259.08057	1.0
269.17368	0.4
292.27271	0.3
295.10153	2.2
310.28189	0.4
329.17538	0.4
364.73932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78860	1.4
51.68510	1.4
53.03920	1.4
55.01858	5.7
55.05501	15.0
57.03419	8.4
57.07060	8.9
59.04984	2.9
67.05488	15.2
68.99777	2.1
69.03395	2.1
69.07042	4.3
69.92198	8.7
70.06549	1.9
71.04967	2.6
71.08606	5.6
76.03784	1.2
76.84760	1.5
79.05475	18.1
81.03407	10.1
81.07043	18.3
83.01322	9.6
83.04970	9.2
83.08592	10.6
85.02872	5.4
90.35175	1.4
91.05454	12.5
93.07021	16.1
95.04971	7.5
95.08588	10.9
97.02875	2.8
97.06511	3.2
97.10148	2.5
98.21436	1.6
101.39519	1.6
105.03368	5.9
105.07027	7.2
107.04926	5.8
107.08573	10.4
109.06490	5.1
109.10130	3.1
111.00756	1.8
111.04414	2.8
111.08062	1.6
114.66167	1.4
117.06971	4.7
119.08554	6.2
121.02814	2.2
121.06487	3.9
121.10123	6.1
123.08013	7.0
125.05962	1.8
131.08537	2.7
133.10098	1.8
135.08057	1.8
135.11653	9.0
137.02304	9.4
137.05984	1.5
137.09572	1.6
139.07420	1.7
143.41304	1.4
145.10075	14.2
147.07983	2.8
149.05927	1.6
153.01823	9.6
153.02901	1.7
153.12732	2.6
154.02094	1.4
162.05482	6.1
163.03868	1.9
163.11140	20.0
163.80215	1.4
164.10693	2.1
173.09595	3.0
176.07050	1.6
177.07841	4.7
181.12202	1.4
190.34987	1.4
191.10652	2.1
192.10141	29.2
192.80771	1.3
194.08099	3.6
201.63118	1.4
209.11786	6.9
210.11266	6.2
227.12708	3.4
243.02629	1.8
253.04965	2.8
269.04248	2.5
281.04373	8.9
283.15350	100.0
285.03906	2.1
297.03949	3.2
298.04376	5.0
299.05432	2.6
309.03809	3.3
311.05527	4.8
313.03311	1.7
327.04932	25.2
343.04517	10.1
344.04803	12.2
346.23740	2.4
364.24716	65.2
481.22562	1.5
491.20062	2.6
491.26358	30.8
508.20450	18.6
509.21622	14.3
513.17389	4.3
527.18903	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	525.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90060	3.9
53.03928	11.9
55.01863	14.0
55.05503	40.0
56.96566	3.6
57.03419	13.7
57.07069	4.6
57.72032	3.4
59.04988	11.7
67.05488	64.2
68.27776	3.2
69.03400	10.7
69.07056	23.8
71.04987	24.1
71.81022	6.2
77.57853	3.7
78.57121	3.7
79.05480	56.8
81.03404	75.3
81.07040	73.4
83.04967	21.1
83.08609	24.8
85.02905	14.0
85.06529	11.5
87.04440	5.5
91.05466	71.0
93.07030	67.7
95.04950	47.7
95.08596	34.8
97.02878	8.2
97.06554	16.8
97.10143	22.8
99.08102	5.6
105.03381	100.0
105.04473	5.1
105.07008	46.4
107.04926	39.5
107.08584	47.4
109.06506	12.2
109.10141	14.9
111.04443	18.9
111.08076	15.6
113.05983	4.4
115.05451	5.0
117.06982	15.5
119.08547	37.8
120.08084	8.1
121.02838	37.5
121.06499	12.2
121.10120	40.4
123.04428	7.6
123.08066	11.1
123.11641	5.2
125.05985	5.7
125.09611	14.4
127.03933	4.6
128.06270	4.1
129.07030	18.6
131.08542	31.2
132.31288	3.6
133.06505	5.5
133.10092	33.7
135.04405	34.4
135.08064	10.2
135.11678	17.5
137.02321	22.9
137.05922	9.5
137.09625	5.1
142.07642	4.4
143.08603	6.4
145.06374	5.7
145.10031	19.3
147.08063	5.6
147.11647	28.7
149.09607	36.1
151.03946	4.6
151.11151	4.7
153.09044	8.0
153.12726	8.4
157.10101	23.6
159.08081	3.9
159.11711	5.0
161.09650	4.3
163.07539	3.7
163.11176	22.7
163.76242	3.2
165.12694	7.4
171.11652	4.8
175.11195	20.4
181.12251	6.0
182.55022	3.5
185.13226	6.4
187.11168	5.2
189.11270	11.0
193.12204	55.0
197.15230	9.1
198.24359	3.8
199.13293	6.9
205.12230	5.8
209.11737	11.4
211.13269	81.9
211.15152	6.6
215.10574	4.3
223.13298	7.1
225.14807	15.8
227.12701	17.0
229.12285	4.0
231.13777	4.9
233.11707	3.7
238.08621	27.2
241.14255	6.4
249.14836	18.1
267.08850	5.5
267.15817	20.2
270.11362	5.2
283.15509	17.1
284.05661	5.5
284.09195	4.9
285.10101	11.8
355.22681	12.6
365.20996	7.7
373.23657	5.8
383.22003	24.0
386.10175	4.4
397.23221	5.7
401.23093	28.7
419.24066	4.6
433.25583	16.7
442.35004	4.0
447.27194	5.1
451.26782	4.1
455.37869	3.8
457.26016	11.6
475.27075	27.0
489.27985	5.6
493.27945	27.5
507.29660	74.7
525.30542	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1385
Annotation	Mayoside
Peak:m/z	Relative Intensity
50.07647	0.7
53.03928	1.4
55.01839	0.9
61.02898	0.9
63.41767	0.8
67.05482	2.1
68.99779	18.3
71.78891	1.1
78.91469	0.9
79.05486	1.3
81.03411	1.7
81.07033	3.5
83.04934	1.4
85.02908	1.3
89.03901	1.1
91.05466	3.6
92.08510	0.8
93.07030	2.6
95.04932	2.5
95.08597	2.4
103.05460	3.4
105.03386	4.9
105.07026	2.0
107.04933	4.2
111.04389	1.4
117.03368	2.1
118.04138	3.3
119.08575	1.5
120.04472	3.5
120.08075	1.8
121.02850	6.7
121.06487	3.3
123.04432	1.3
124.26223	0.9
129.07021	1.0
130.04132	1.2
131.04918	2.7
133.02809	1.0
133.10138	1.0
134.03621	2.6
134.39203	0.8
135.04399	3.7
137.02328	2.8
139.00233	23.6
140.04588	1.6
147.04382	1.7
148.05136	1.1
149.05948	26.1
151.03873	9.1
151.04893	1.1
153.01894	1.0
153.05502	1.3
157.01338	2.6
160.05173	1.0
161.06003	2.0
163.03889	1.9
163.11208	1.1
166.06328	1.1
166.45049	0.9
167.07089	1.6
173.05997	1.4
176.04724	2.2
177.05444	2.9
178.06233	1.2
183.04500	0.8
185.05980	1.5
191.06987	4.2
193.04967	1.5
193.12245	1.2
199.03871	1.7
207.06686	1.3
211.13181	1.2
217.04947	3.0
227.03407	1.4
229.05011	3.2
233.10699	1.9
235.06030	1.4
241.04886	2.1
245.04353	1.9
254.08156	1.3
255.02824	1.2
259.05872	1.6
270.05304	0.9
272.03143	7.4
272.06046	1.4
272.09387	1.2
273.03915	2.6
274.04651	5.2
285.10059	2.5
286.04645	1.2
287.05447	89.3
288.05804	2.4
300.06290	3.2
301.03409	2.2
301.07074	3.2
302.04166	9.1
313.06790	1.4
315.04935	81.3
316.05658	20.0
317.06485	13.2
348.15118	0.9
353.06500	1.4
361.71036	0.9
371.07565	1.3
391.12753	1.6
403.16672	1.2
495.12717	5.2
507.12766	35.8
508.13171	1.6
525.13843	100.0
525.30420	2.8
526.14240	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	524.3705
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05495	0.3
56.05025	1.2
57.03407	0.6
57.07062	3.4
58.06557	1.6
59.07345	0.3
60.08151	16.3
61.69090	0.2
62.24210	0.2
62.90828	0.2
67.05500	1.1
69.07056	0.5
70.06598	0.2
70.13734	1.2
71.07357	5.7
71.08610	2.2
74.09689	0.3
79.05422	0.2
81.03397	0.4
81.07039	1.2
83.04945	0.3
83.08597	0.6
85.10158	1.1
86.09688	51.4
91.05450	0.3
93.07032	0.4
93.71553	0.2
95.04897	0.2
95.08595	1.3
97.10149	0.5
98.98442	3.2
104.10720	99.9
105.06997	0.2
109.10126	0.7
119.08494	0.3
121.06445	0.2
123.11650	0.3
124.99978	28.8
140.00923	0.2
143.00990	0.6
163.01526	0.7
181.02608	0.3
184.07304	100.0
185.07597	0.2
249.25504	0.2
258.10983	0.7
268.16498	0.2
314.27515	0.4
337.68704	0.2
341.30420	1.7
447.28427	0.4
506.35999	9.4
524.37024	45.7
525.36993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60416	0.7
55.01843	0.7
57.03433	4.6
59.04988	1.7
60.04494	1.0
65.73984	0.9
67.05476	1.2
69.03415	18.5
71.04974	0.9
71.54308	1.7
74.96622	0.9
75.04485	1.0
79.05479	10.4
81.03383	1.5
81.07034	2.2
85.02890	13.8
86.09641	1.1
87.04453	11.7
91.05455	5.2
93.07029	4.0
95.04918	1.4
97.02312	1.2
97.02884	14.3
97.06537	1.0
99.04422	3.3
103.03913	1.6
105.03391	0.9
105.07007	4.5
107.04917	1.9
107.08572	48.2
109.02824	1.5
109.06475	2.5
115.03915	14.2
115.05427	1.6
117.06961	4.3
121.02871	1.0
121.10160	1.4
125.05957	0.9
127.03896	3.5
133.04953	15.0
135.08031	66.3
136.35298	0.8
139.11169	1.3
145.04926	2.7
145.21992	0.8
150.07661	1.2
153.09006	1.1
163.07513	79.7
164.07851	1.2
167.10652	1.0
181.06955	1.8
181.08559	29.2
195.10156	3.5
213.11177	100.0
263.32654	0.9
336.21863	0.9
446.11264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.5
57.03434	3.3
57.07066	29.7
59.04985	3.5
65.62552	2.0
67.05500	21.6
69.07054	7.8
71.04964	4.1
71.08624	22.4
71.80063	2.3
79.05476	12.8
81.03410	28.0
81.07047	23.4
83.04961	7.0
83.08605	19.4
85.02902	12.7
85.10175	12.4
90.88115	2.0
91.05460	16.7
93.07019	11.8
95.04958	12.3
95.08596	19.0
97.10153	5.1
105.06984	10.5
107.08582	3.6
109.06480	3.0
109.10143	8.6
111.08052	6.1
116.07098	2.3
119.08555	7.9
121.10126	4.3
123.11658	3.6
129.06949	4.6
131.08545	6.2
131.74014	1.9
133.06493	2.4
133.08499	2.2
133.10133	4.6
135.11699	2.4
142.07817	2.3
147.11679	9.2
149.09622	3.4
157.10124	5.1
162.26904	2.0
169.47829	1.8
175.11180	6.5
193.12216	26.0
211.13266	34.1
239.23700	5.1
255.37508	1.9
267.15894	7.4
282.91125	2.2
313.27371	6.1
314.50403	2.2
467.52924	2.2
471.46454	2.2
505.38977	4.2
523.39929	100.0
524.39655	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	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.6
53.03926	2.0
55.01853	1.4
55.05500	12.4
57.03422	7.0
57.07066	33.4
58.17921	0.5
62.67889	0.5
62.96256	0.5
65.03919	0.7
66.85761	0.6
67.05492	19.8
69.03407	1.8
69.07055	10.6
70.96732	1.0
70.97102	1.2
71.01344	0.5
71.04974	2.7
71.08618	22.5
76.13216	0.5
79.05478	11.9
81.03402	30.8
81.07040	23.9
82.03734	0.6
83.04967	5.0
83.08607	20.9
85.02889	16.8
85.06534	1.3
85.10162	11.6
91.05465	14.3
93.07033	8.4
95.04951	14.5
95.08591	23.1
97.02866	2.1
97.06516	1.5
97.10159	6.9
99.08103	0.6
99.11682	1.0
105.07015	11.0
107.04931	2.1
107.08573	3.9
109.06486	1.4
109.10139	9.1
111.04475	0.8
111.08068	4.5
111.11700	1.2
113.05961	1.6
115.05389	0.9
117.07000	0.9
119.08555	8.9
121.06491	0.9
121.10146	4.7
123.08057	0.6
123.11697	4.1
124.16456	0.5
125.09593	0.7
129.06998	5.5
131.08536	5.3
133.06456	1.7
133.10100	4.0
137.13216	1.1
142.07758	1.3
145.10100	0.6
147.07980	1.6
147.11658	7.2
149.09572	3.5
157.10085	6.1
165.12727	1.1
175.11185	6.7
193.12206	27.3
194.12714	0.6
211.13255	34.8
212.13533	0.8
239.23634	5.8
249.14807	1.0
259.95050	0.6
267.15863	7.2
313.27380	5.7
382.54300	0.6
505.38910	3.2
523.39850	100.0
524.39972	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	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44363	1.6
53.03936	3.5
55.05503	10.5
56.42326	1.5
57.03432	17.4
57.07066	41.1
60.08140	3.5
67.05488	20.5
69.07059	11.9
69.59300	17.1
71.04964	2.4
71.08624	28.2
72.98169	1.8
79.05469	15.2
81.03405	95.4
81.07038	27.0
83.04974	4.1
83.08611	24.7
85.10171	16.2
86.09691	9.3
89.06024	1.8
91.05459	19.8
93.07018	11.7
95.04948	23.2
95.08592	24.2
95.65112	1.7
96.74865	1.7
97.10149	7.9
103.37434	1.7
104.10723	21.2
105.07021	17.3
107.04945	4.7
107.08566	6.8
109.06506	3.5
109.10144	15.2
111.04437	1.8
111.08073	6.4
111.11662	1.8
115.05411	2.0
118.21439	1.6
119.08562	11.1
121.06409	2.1
121.10114	5.4
123.08083	2.0
123.11681	3.3
124.99971	6.0
129.06976	6.1
131.08513	6.0
133.06450	2.3
133.10045	3.7
137.09636	2.1
142.07681	2.5
147.08026	3.3
147.11668	5.5
149.09607	5.7
149.13251	1.6
157.10065	10.2
175.11153	8.1
184.07327	21.8
190.86726	1.8
193.12213	40.8
210.88428	1.7
211.13208	4.7
239.23669	4.9
249.14917	3.2
257.24698	2.9
267.15881	100.0
268.16263	2.7
313.27322	99.1
326.74451	1.9
408.80661	1.7
449.42612	2.1
505.38803	64.6
506.37192	2.8
523.24725	3.7
523.39246	9.8
524.23810	6.6
524.37122	8.4
540.96332	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02723	0.3
53.00276	0.5
53.03931	1.1
55.01855	1.3
55.05501	9.9
57.03426	4.8
57.07066	28.3
65.03928	1.1
66.00113	0.4
67.05125	0.7
67.05492	17.6
69.03414	1.9
69.07050	7.9
71.04976	2.7
71.08618	20.6
73.02900	0.3
79.05476	10.7
81.03403	29.9
81.07040	21.1
83.04968	4.6
83.08605	18.8
85.02367	0.7
85.02888	15.7
85.06531	1.2
85.10168	10.6
89.71697	0.3
89.84478	0.3
91.05461	12.7
93.07023	8.0
95.04951	11.8
95.05569	0.6
95.08591	19.2
97.02869	1.2
97.06506	1.5
97.10155	4.8
98.20695	0.7
99.08056	0.9
99.11702	0.5
105.07009	9.6
107.04937	2.5
107.08586	3.5
109.06509	1.8
109.10130	7.8
111.04402	1.1
111.08054	4.9
111.11703	0.6
113.06002	1.5
117.06986	0.7
119.08569	7.8
121.06395	0.5
121.10119	4.5
123.08041	1.0
123.11700	3.8
125.09579	0.4
125.13261	0.7
129.06975	4.1
131.08516	4.2
131.09407	0.4
133.06500	1.7
133.10097	3.4
137.09653	0.9
137.13239	1.7
142.07753	1.5
145.10146	0.5
147.08015	1.2
147.11673	6.6
149.09593	2.6
157.10120	6.0
165.12770	1.1
175.11151	7.2
184.07224	0.3
193.12206	27.3
199.15094	0.4
211.13255	31.5
221.22673	0.5
239.23694	4.2
249.14832	0.8
267.15851	8.2
285.81293	0.4
313.27344	7.3
505.38791	4.2
523.39862	100.0
524.40302	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
53.95804	0.7
55.01859	1.5
55.05499	10.5
57.03429	4.4
57.07063	33.4
65.03921	1.5
67.05493	20.7
69.03413	1.6
69.07050	9.4
70.87369	2.0
71.04974	3.0
71.08617	21.9
79.05479	11.9
81.03400	31.6
81.07039	28.5
81.07526	1.0
83.04967	7.3
83.08603	19.6
85.02893	14.8
85.06506	0.6
85.10161	10.5
91.05465	16.4
93.07027	8.4
93.49162	0.7
95.04388	1.1
95.04951	14.2
95.07986	1.3
95.08587	23.9
97.02882	1.2
97.06511	2.3
97.10151	6.4
105.06998	10.3
105.57332	0.6
107.04916	3.5
107.08575	4.1
109.06500	1.9
109.10131	10.2
111.04410	1.0
111.08048	4.7
113.05968	1.2
115.05422	0.6
119.08553	9.7
121.06451	0.7
121.10101	5.1
123.11673	4.6
124.18410	0.7
129.06993	4.9
131.08585	5.3
133.10120	4.2
137.09538	1.3
137.13210	1.3
142.07718	1.6
145.10124	0.9
147.07980	1.1
147.11688	6.8
149.09596	2.6
157.10097	7.4
165.12729	1.5
167.39198	0.8
175.11145	6.3
193.12206	28.2
211.13251	30.8
239.23668	6.1
267.15854	6.8
313.27304	9.5
321.91943	0.7
351.04950	0.9
505.38815	5.7
523.39850	100.0
524.33508	1.6
524.40186	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01853	6.2
55.05501	54.4
57.03416	9.1
57.07070	5.1
59.04992	2.9
65.03919	3.0
67.05492	64.4
69.03413	7.5
69.07063	14.1
70.06573	2.5
71.11754	2.1
71.28233	3.8
71.28593	3.7
79.05478	43.9
81.07040	66.1
83.04945	3.2
83.08601	32.6
85.06522	2.8
86.09682	2.7
91.05463	17.9
91.05927	2.6
93.07023	42.4
95.04964	4.4
95.08586	37.3
97.09553	4.6
97.10154	64.5
97.10791	3.2
105.03371	4.3
105.06996	14.1
106.65125	2.1
107.08580	38.4
109.06493	3.6
109.10126	24.8
111.08105	4.0
117.06982	6.5
119.08543	12.2
121.10150	17.2
123.11680	8.6
125.09612	63.1
129.06979	2.9
131.08557	11.9
133.10115	8.4
135.08052	6.5
135.11658	17.4
143.10632	4.2
145.10063	9.0
147.11676	8.8
149.02330	2.6
149.13269	9.5
153.09079	4.5
159.11658	8.5
161.13228	4.1
171.10081	3.5
173.13255	5.2
185.13078	2.2
187.14830	5.5
189.11174	54.8
227.10995	1.6
227.12735	74.9
243.20909	10.7
245.13806	100.0
261.22110	48.0
277.21661	2.2
279.23376	4.5
305.64999	2.3
317.24670	9.1
321.36688	2.4
335.25735	60.8
353.27023	3.4
404.07416	2.4
406.26013	2.7
431.31531	4.6
487.34119	9.5
505.35184	30.8
523.20099	3.3
523.36066	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	523.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.2
53.03942	2.1
55.01853	4.3
55.02346	1.3
55.05500	61.5
55.58698	1.5
57.03431	12.6
57.07054	8.7
59.04994	1.7
60.17027	1.3
65.03923	2.0
67.05495	70.3
69.03426	8.5
69.07058	19.0
69.34992	1.3
70.06567	2.3
70.80532	3.9
70.80891	2.2
71.08615	5.1
79.05476	40.2
79.05919	3.0
81.03409	5.2
81.07040	67.0
83.04963	4.0
83.08603	35.5
85.06499	2.7
85.10172	1.8
86.09720	1.7
87.04443	1.5
91.05460	20.8
92.10342	1.4
93.07030	46.0
95.04957	5.3
95.08586	42.9
97.06520	1.9
97.10151	72.6
101.09664	1.6
104.10664	1.5
105.07009	12.4
107.08575	45.6
109.06487	2.9
109.10137	26.7
111.08066	3.9
117.06989	7.1
119.08548	11.8
119.67908	1.3
121.06544	1.6
121.10117	20.1
123.08028	1.5
123.11681	9.4
124.99998	1.3
125.09607	62.2
129.07016	1.3
131.08539	14.2
133.10107	10.7
135.08040	5.5
135.11661	15.2
137.13242	4.8
143.10680	2.7
145.10126	10.4
146.13504	1.5
147.11653	9.8
149.09668	1.4
149.13235	8.8
153.09109	5.8
159.11658	9.4
161.13219	6.4
163.14787	7.6
171.10139	4.4
173.13260	6.6
175.14746	3.0
177.16379	3.4
184.07321	2.7
185.07558	1.7
187.14774	3.7
189.09480	3.0
189.11189	60.6
193.12198	3.6
224.19978	1.5
227.12729	72.6
233.22664	2.5
237.09027	2.0
243.20975	9.6
245.13800	100.0
253.14354	1.5
261.22092	51.6
265.08606	5.6
266.09000	5.5
267.15924	6.6
279.23129	5.3
280.10974	6.9
281.08157	3.7
281.11224	7.4
282.08578	3.5
282.11566	1.7
296.10464	4.9
297.10739	4.1
311.12735	3.1
312.13022	3.0
313.27243	5.4
317.24731	9.1
335.25748	64.7
353.26776	2.3
369.05661	2.4
390.36646	1.6
413.30368	3.4
431.31567	4.7
487.34265	11.4
505.34998	34.5
523.20410	2.8
523.31738	24.4
523.39758	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.8
55.01867	6.2
55.05499	77.5
55.59463	2.1
57.03427	21.5
57.07061	14.5
59.04989	3.6
63.54685	2.1
63.55768	1.7
65.03925	3.1
65.05848	2.0
67.05492	95.1
69.03418	7.9
69.07057	24.1
69.50915	1.9
71.08619	9.4
71.78759	3.1
79.05478	66.7
81.03403	26.5
81.07040	100.0
83.04950	5.4
83.08603	47.9
83.09059	3.3
85.06541	4.1
85.10166	5.1
86.09674	4.8
91.05460	30.8
91.05953	2.9
93.07025	63.7
95.04936	12.9
95.08593	64.0
95.09181	4.2
97.06531	4.8
97.10150	93.6
99.08101	2.3
104.10744	6.7
105.07009	21.7
107.08572	49.7
109.06498	4.2
109.10130	36.2
111.08082	6.3
111.11703	2.2
117.07039	9.4
119.08569	18.7
121.10127	26.8
123.11685	16.6
124.99986	2.6
125.09610	80.2
129.07004	3.9
131.08551	17.3
133.10085	15.4
135.08072	4.8
135.11665	22.3
137.13301	6.2
141.98372	2.1
143.10703	4.7
145.10115	10.2
147.11623	11.0
149.13196	14.8
153.01846	2.6
153.09085	5.0
157.10144	4.2
159.11682	8.9
161.13249	7.6
163.14803	7.8
171.10179	8.3
173.13274	11.2
175.14824	4.1
184.07350	13.1
185.07701	2.6
187.14815	5.9
189.11185	65.2
189.12793	4.1
193.12279	8.4
214.69923	2.8
215.17992	2.1
227.12738	77.2
233.22612	3.5
243.21004	18.4
245.13802	96.4
261.22086	69.6
267.15851	27.2
271.14590	2.2
279.23218	10.6
289.56601	2.4
313.27261	22.7
317.24567	14.4
335.25742	87.0
351.05026	2.4
413.30444	4.1
431.31729	3.4
487.34280	11.3
492.68576	2.3
505.34259	45.4
523.19043	3.5
523.35797	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	523.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
67.05473	0.2
69.07032	0.3
69.54028	0.2
70.91657	0.7
70.92030	0.3
74.66400	0.3
81.07037	0.9
93.07020	0.3
95.08595	0.5
105.03357	0.4
107.08576	0.4
109.10122	0.5
119.08588	0.3
121.02844	0.4
121.10118	0.5
123.11700	0.4
133.10114	0.3
149.13242	0.4
159.79799	0.2
167.03102	0.3
169.04710	1.1
185.04218	2.3
201.05225	1.0
216.07535	7.2
216.09525	0.4
217.08261	2.0
225.18416	0.3
226.05165	0.2
227.05272	1.0
240.10233	0.3
250.91107	0.3
267.08466	1.1
269.06259	0.9
307.26355	0.6
311.07547	0.3
313.08832	0.4
315.19620	0.3
329.08362	4.1
331.11139	0.3
350.37631	0.3
379.13589	2.2
421.14603	0.7
461.17761	3.8
463.15659	2.8
505.17035	0.3
523.17810	100.0
524.18170	1.4
537.95062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3546
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.41842	0.3
55.05495	1.2
56.05024	0.8
56.69189	0.3
57.07061	0.7
57.66961	0.3
58.06594	1.1
59.07384	0.4
60.08152	17.0
65.93149	0.3
67.05489	1.5
68.98499	0.3
69.07064	1.7
70.06574	0.4
70.20555	1.4
71.07359	5.7
79.05478	0.6
81.07039	1.0
81.99496	0.3
83.08598	1.2
86.09692	50.5
87.10010	0.5
91.87489	0.3
93.07008	0.3
95.08586	1.1
97.10149	0.5
98.98467	3.6
104.10725	100.0
105.11060	0.8
107.08581	0.3
109.10137	0.3
112.10077	0.3
119.37365	0.3
121.10133	0.6
124.99983	28.4
127.85483	0.3
135.11571	0.3
143.01059	0.5
163.01564	0.6
184.07315	96.1
185.07684	0.6
248.36656	0.3
258.11029	0.8
262.34369	0.3
339.28979	1.1
417.33820	0.3
504.34399	9.5
505.34799	0.4
522.35468	41.8
523.35626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01160	0.2
55.05492	0.4
56.05024	0.4
58.06603	0.3
59.07381	0.2
60.08157	5.1
67.05479	0.3
69.07048	0.4
69.62535	0.8
69.62964	0.8
71.07359	2.4
81.07021	0.3
83.08604	0.3
86.09690	25.5
87.10071	0.2
95.08575	0.2
98.98447	2.1
104.10722	2.9
110.04639	0.2
124.99981	17.2
127.36858	0.2
130.72121	0.2
165.59468	0.2
184.07312	100.0
185.07637	0.4
199.28369	0.2
300.41843	0.2
504.34698	1.1
507.52408	0.2
522.35431	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	522.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92756	1.0
53.27648	0.9
55.01855	3.0
55.05500	9.0
57.07069	9.7
67.05485	6.9
69.07059	6.9
69.78347	8.0
70.83858	1.0
71.08608	4.2
79.05479	6.4
80.05812	1.1
81.03389	4.4
81.07052	8.1
82.03734	1.3
82.07340	1.0
83.04963	1.7
83.08604	6.9
84.08935	1.6
85.02888	2.0
85.10163	2.4
91.05454	5.0
92.05789	1.4
93.07013	4.3
94.07415	1.4
95.04955	3.0
95.08590	7.5
96.08929	1.1
97.10161	3.2
105.07002	2.8
107.04927	2.7
107.08553	2.4
109.10116	2.3
119.08530	2.7
121.10110	1.8
124.28753	1.0
133.10133	1.3
135.11708	1.2
145.10106	1.4
147.11732	1.3
149.09456	1.2
157.10164	1.1
163.11168	2.3
165.06934	2.5
166.07765	3.1
167.08568	2.1
168.05605	1.0
177.06956	2.7
178.07721	2.7
179.08517	5.9
181.06500	2.1
181.10101	3.0
189.06927	2.3
190.07719	4.4
191.08534	19.9
193.06436	2.5
193.12206	3.0
194.07310	6.0
194.12608	1.3
195.08029	2.3
205.06454	10.2
206.07202	1.6
207.08031	12.1
208.08794	3.5
209.05946	1.3
209.09590	11.4
209.11456	1.5
210.18437	1.3
211.07590	1.9
211.13310	4.4
212.13641	1.2
217.06477	1.8
218.07349	2.4
219.08014	17.3
221.05978	3.8
222.04587	1.4
222.06731	25.2
222.15787	1.1
223.07443	3.7
224.08359	2.8
233.05899	7.7
234.06699	2.1
234.10362	2.5
235.07512	8.9
236.08243	5.9
237.09050	29.5
238.21619	11.9
239.06998	4.5
247.07466	6.2
249.05458	2.2
250.06180	4.3
250.09886	3.0
251.07059	2.5
252.07767	2.7
253.08565	5.4
255.10202	2.6
263.07001	1.8
264.07703	1.1
265.08563	77.0
265.11966	4.8
266.09164	3.1
267.06512	5.9
267.10117	11.7
279.10181	3.0
280.10843	3.2
281.08057	3.0
282.08820	28.0
291.08951	1.8
292.13217	1.5
296.10431	2.5
297.11157	70.9
304.19781	2.0
309.09808	3.2
311.12625	1.4
324.12271	27.9
336.20175	1.1
338.13885	2.1
340.15369	12.9
445.36551	1.2
462.29977	2.5
522.31952	100.0
522.38751	22.9
523.24500	4.2
523.31720	1.9
536.18671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45809	0.6
54.75437	0.5
55.05500	2.5
55.05706	0.5
57.03410	0.8
57.06827	0.5
57.07062	6.0
60.04486	0.7
67.05495	3.9
67.58910	0.5
68.99744	0.7
69.07026	2.4
70.06580	57.1
71.08620	8.2
71.68810	1.3
72.04465	1.1
72.08118	0.8
79.05473	0.7
80.72770	0.5
81.07043	7.3
83.08579	0.6
84.08132	7.4
85.10159	4.5
88.03945	0.8
95.08611	6.3
98.06033	7.4
105.06994	0.7
106.05009	0.6
109.10117	0.7
112.07552	2.2
123.11649	0.8
148.59528	0.5
149.02202	0.5
155.14262	1.1
165.06938	0.7
167.04967	0.7
169.06384	0.8
184.07285	0.8
195.04388	1.2
195.08121	0.7
196.20613	0.8
197.05911	0.9
199.07513	1.1
200.26299	0.6
208.05188	0.8
212.20107	3.4
221.05962	0.6
223.07521	2.0
224.20053	100.0
225.05527	0.6
225.20366	1.9
227.07001	3.2
227.08986	0.5
228.23112	1.0
236.04626	1.7
236.19902	0.6
240.07957	0.6
250.06163	1.3
250.72173	0.6
251.07054	4.2
253.04930	1.7
268.07254	2.3
269.08057	0.8
279.06281	2.8
281.04050	0.6
283.09515	0.6
293.08014	6.6
296.06766	2.5
311.09082	21.3
320.61554	0.5
337.27451	1.6
368.14905	3.4
492.85184	0.7
504.27225	0.8
522.28442	93.5
523.28644	2.8
536.54413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05496	2.0
56.60115	0.7
57.07051	1.2
67.05482	2.4
69.03422	6.3
69.07042	2.9
71.30011	1.3
78.56710	0.7
79.05476	4.1
81.03378	1.0
81.07033	2.9
83.08613	1.4
85.02879	2.4
89.06022	4.4
91.05460	10.5
93.07057	4.0
94.08640	0.7
95.08582	2.0
97.02863	2.2
99.04465	1.0
103.05422	1.0
105.07001	12.4
107.08577	12.2
109.02829	1.2
109.06448	1.5
109.10132	1.8
115.05432	1.0
116.06209	1.7
117.07022	4.2
119.07716	1.1
119.08546	16.7
121.06513	1.3
121.10115	9.3
123.08028	1.7
123.11700	1.1
125.09594	2.8
127.03905	2.6
128.06190	0.8
129.06967	5.5
130.07722	1.7
131.04874	0.8
131.08545	26.4
133.10094	9.7
135.06493	1.1
135.08018	5.1
135.11609	1.7
137.05934	4.1
137.09587	0.7
143.08536	12.7
144.09337	4.4
145.10097	15.1
147.04356	1.1
147.11636	7.3
149.09552	1.4
149.13205	5.9
151.07538	1.0
158.10890	17.2
163.07549	1.1
173.13229	100.0
174.13609	1.1
175.14799	8.7
176.83530	0.7
177.09048	0.7
179.07030	1.3
189.09135	0.9
191.14273	83.6
192.14691	0.9
193.15863	0.8
209.15320	8.6
273.11194	0.9
279.10651	1.0
301.01105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3391
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05499	1.1
56.05026	1.2
57.03418	0.2
57.07061	0.2
57.85562	0.2
58.06561	1.2
59.07373	0.5
60.08150	16.3
62.00600	0.2
66.65309	0.1
67.05489	2.6
67.52787	0.2
69.07056	1.0
70.06579	0.3
70.31660	0.7
71.06983	0.3
71.07361	5.8
79.05476	0.7
81.06591	0.2
81.07035	2.7
83.08604	0.7
86.09688	49.0
87.10025	0.4
91.05445	0.5
93.07024	0.8
95.04949	0.2
95.08575	1.9
97.10130	0.3
98.98444	3.6
104.10720	90.0
105.07011	0.3
105.11050	0.6
107.08576	0.3
109.10140	0.5
119.08580	0.3
121.10099	0.2
124.99977	28.6
127.22952	0.2
127.52357	0.2
143.01065	0.3
156.77080	0.2
163.01532	0.7
181.02469	0.2
184.07304	100.0
185.07648	0.9
258.10992	0.7
294.43588	0.2
337.27338	0.8
354.72339	0.2
413.32236	0.2
450.29868	0.2
502.32791	8.2
503.33188	0.4
520.33917	35.9
521.34277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77706	0.1
55.05494	0.3
56.05028	0.4
57.03416	0.1
58.06303	0.1
58.06620	0.4
59.07393	0.1
60.08152	5.9
61.08474	0.1
61.88869	0.1
67.05492	0.6
69.07037	0.3
70.06583	0.1
71.07355	2.7
71.63011	0.1
73.87115	0.1
79.05486	0.2
81.07047	0.5
83.08592	0.1
86.09690	29.4
87.10021	0.3
91.05478	0.1
93.07026	0.1
95.08598	0.3
98.98447	2.7
104.10723	2.8
105.06962	0.1
107.08630	0.1
109.10135	0.1
113.89223	0.1
119.08544	0.1
121.10133	0.1
124.99978	20.2
126.00333	0.1
143.01007	0.2
182.64091	0.1
184.07307	100.0
185.07658	1.0
189.11284	0.1
258.11060	0.2
303.96036	0.1
337.27283	0.1
422.29736	0.1
502.32910	1.0
503.32626	0.1
504.02759	0.1
520.33887	3.3
521.34229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03928	1.3
55.01873	0.6
55.05505	2.0
56.32579	0.3
57.01048	0.5
57.03424	0.8
57.07064	5.6
59.81017	0.4
60.08147	1.6
62.70107	0.4
65.03924	0.7
67.05494	5.7
69.07055	2.4
69.56850	3.0
69.57276	0.9
70.02953	0.5
70.06575	1.6
71.07365	0.7
71.08626	2.7
77.03908	0.4
79.05491	2.0
81.03390	0.7
81.07046	4.5
83.08609	1.5
85.10171	1.4
86.09693	7.8
86.75285	0.4
87.10033	2.0
91.05447	7.5
93.07030	15.1
95.04958	3.4
95.08584	4.7
95.89287	0.4
97.10131	0.8
98.98470	0.8
103.05450	7.9
104.10711	0.9
105.03356	0.5
105.04504	0.5
105.07013	1.1
107.04955	1.3
107.08595	0.6
109.10113	2.5
110.06029	0.9
112.11188	0.7
112.77677	0.4
116.07078	0.8
121.06485	100.0
122.06801	0.9
123.11703	0.5
124.99975	5.3
127.00417	1.3
133.10156	0.4
134.05994	0.5
135.11639	0.8
138.05482	1.2
148.07564	2.3
159.11835	0.4
164.07034	0.4
168.93375	0.4
183.17432	0.5
184.07317	18.4
185.07675	7.0
186.07727	3.7
186.09079	0.4
202.08630	1.3
204.10214	1.0
214.08617	0.7
230.08104	1.7
230.11682	1.0
240.10117	0.8
246.11166	0.6
258.11237	13.2
266.24860	1.0
276.12210	1.0
292.19055	0.6
302.20984	0.5
316.38406	0.4
322.12985	0.5
335.25790	9.1
358.11728	0.9
358.15796	0.5
384.25311	1.2
386.10913	0.5
402.26257	1.2
412.24734	29.5
413.24899	1.1
422.26987	0.5
430.25391	0.7
440.27893	13.6
441.27908	0.6
458.28906	3.8
460.18771	2.7
474.28613	0.9
488.18079	1.7
502.27911	8.2
520.28857	31.3
521.29163	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68073	2.2
53.77879	2.3
55.01854	7.3
55.05501	6.6
57.07068	15.9
65.03889	2.2
67.05486	11.3
69.07066	17.8
70.93748	4.9
70.94115	4.3
71.08614	22.3
75.24896	2.1
79.05461	11.3
81.07035	17.9
83.08615	5.3
85.10173	13.2
91.05463	27.8
93.07008	4.5
94.02946	3.2
95.04965	3.4
95.08598	22.3
97.06497	2.7
103.05453	22.2
105.07025	13.9
107.04947	8.3
107.08596	2.6
109.10152	2.4
111.04407	3.0
115.52592	2.1
120.04461	3.0
120.08087	23.7
122.02374	9.5
124.03943	4.0
129.06978	4.2
130.06517	20.9
131.04924	7.7
131.07355	2.5
132.08083	9.3
138.05453	2.7
149.05899	2.4
153.12718	2.6
155.14262	4.8
156.08061	6.9
172.07518	5.4
176.07077	3.7
183.06819	3.7
183.29631	2.2
184.07510	15.0
184.11209	3.4
186.09154	5.8
194.09698	3.7
196.07584	3.6
210.05505	5.0
212.07076	21.3
212.10722	8.5
213.07057	2.0
214.08607	3.3
222.09103	6.0
228.10228	2.3
230.08122	2.5
232.09723	9.3
240.06512	12.5
240.10132	33.5
240.12408	2.3
248.16524	9.6
268.09839	6.4
284.09058	2.6
286.10678	29.7
302.06842	3.4
302.10168	5.5
304.11804	13.4
310.21713	2.9
338.21118	5.6
350.12357	9.0
356.22415	3.1
358.09393	3.8
366.20575	87.9
376.10184	4.0
384.21558	3.1
398.23401	2.9
402.22861	4.5
412.21063	67.0
422.23587	4.4
440.24243	54.8
456.23752	9.0
458.25262	14.9
466.21997	3.7
474.24918	14.1
484.23203	10.0
502.24210	59.3
502.31226	3.1
520.25446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21297	0.3
66.93685	0.3
71.42104	0.3
71.62557	0.7
77.03893	0.3
79.05478	0.7
89.03895	0.6
91.05438	0.4
93.06999	1.4
96.96130	0.3
103.05447	6.8
107.04955	1.7
117.03381	0.4
119.91567	0.3
120.08083	100.0
121.08434	0.8
131.04897	2.4
135.04375	1.9
145.02802	1.7
149.05945	1.7
161.20233	0.3
163.03876	21.0
166.08607	50.9
177.64458	0.3
185.86783	0.3
187.21292	0.3
197.75456	0.3
234.99127	0.3
393.98218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49282	1.7
55.05494	7.1
57.03439	18.2
57.07067	29.7
62.48238	1.9
64.41193	2.0
67.05489	9.9
69.07052	7.6
70.97893	6.4
71.04967	2.4
71.08620	21.1
76.40453	1.8
76.57568	1.8
79.05474	7.6
81.07040	19.7
83.04968	11.3
83.08611	5.5
85.02907	3.6
85.10171	11.8
93.07043	4.5
95.08598	22.7
97.06502	3.9
105.07036	4.7
107.04927	3.7
107.08587	3.2
109.10136	8.5
111.04459	8.9
119.08567	3.4
121.06491	4.5
125.06011	2.4
126.50849	1.8
133.10173	2.5
135.08035	2.8
139.07504	14.9
150.20067	1.9
155.14276	8.2
165.09055	3.7
167.05449	2.5
183.17461	5.3
193.15866	2.3
199.16876	3.3
209.18936	2.7
209.48683	2.2
214.80281	1.9
221.18945	3.7
227.19888	2.7
237.18460	90.7
245.22722	2.2
265.21585	100.0
291.23148	3.6
293.21085	55.0
293.24475	3.0
299.06256	4.1
301.21539	2.3
319.22559	3.6
321.24164	49.9
329.24564	4.7
337.23709	28.1
347.25781	2.0
365.26855	28.3
389.32504	5.1
427.35806	6.1
501.39178	6.2
519.34259	10.7
519.41815	3.3
534.57111	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.5
57.03412	0.8
67.05482	1.5
69.07026	1.4
71.82024	1.4
79.05452	1.6
80.63400	0.9
81.07042	2.7
82.02849	0.8
83.08580	0.9
85.02876	2.7
91.05442	2.4
93.07011	1.4
94.50445	0.8
95.08580	1.8
97.10159	0.8
105.02657	0.8
105.03373	16.4
105.06987	1.4
109.10136	1.0
117.96692	0.8
122.05990	1.2
131.14702	0.8
135.11647	1.0
139.96510	0.9
167.05470	1.4
179.08528	1.6
190.07634	1.2
191.08563	1.6
202.07658	1.1
203.08580	1.7
205.10124	1.3
207.08026	4.1
208.08786	3.6
209.11787	1.8
217.06433	1.0
218.07217	2.3
219.08006	5.2
220.08740	1.2
221.05870	1.2
221.09474	1.8
233.09525	2.4
234.10370	15.1
235.07521	16.9
236.08261	4.5
250.09872	22.4
250.12178	1.8
251.10622	21.6
265.12198	27.5
266.12592	1.2
276.10077	2.1
277.10699	1.0
278.11691	3.4
279.12238	1.8
292.13287	2.9
299.06104	2.2
303.10764	0.8
303.82870	0.9
304.11157	3.7
318.12698	5.2
322.12241	20.6
330.12698	1.2
332.10547	0.9
346.12082	3.4
347.08826	1.6
347.13000	25.0
348.13297	1.8
349.14719	1.1
350.11716	14.7
364.13272	38.5
365.14090	9.4
380.16376	57.0
381.15411	2.7
382.14944	0.9
389.32190	2.0
398.17444	100.0
399.17801	2.5
472.06638	0.9
501.24542	1.2
519.35278	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	519.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01859	4.0
55.05507	17.2
57.07065	33.3
65.03918	4.0
66.17306	1.9
67.05493	21.3
69.07057	50.8
70.11427	8.0
71.08617	31.2
79.05458	5.3
81.07042	27.5
83.04978	3.5
83.08610	18.8
85.10159	14.9
89.03918	2.2
91.05441	4.1
91.83675	2.0
93.07025	3.4
95.04957	35.2
95.08598	22.0
97.10186	2.1
105.03374	9.3
105.06993	2.9
109.10136	5.7
111.04432	7.2
115.05452	2.2
117.03386	2.6
119.04945	2.8
121.02850	16.7
123.11684	3.1
131.04910	6.7
133.02838	5.5
135.04391	6.1
137.13200	2.9
139.03886	17.7
141.07005	3.0
145.02832	6.9
145.06474	4.9
147.04376	22.9
153.06932	2.4
154.99385	1.9
155.04932	5.0
155.08540	2.0
155.14299	17.0
157.06454	6.8
159.04437	9.5
159.08006	3.3
159.69293	1.7
161.02332	7.7
161.05957	6.4
162.03146	2.3
163.03874	31.2
165.07080	3.5
167.05492	2.7
169.06468	7.8
173.02350	2.3
173.05933	10.3
175.03874	27.7
175.70609	2.0
179.03345	6.6
179.08554	3.1
181.06496	2.8
183.04396	6.2
183.08011	4.2
185.05927	4.5
187.03845	20.7
187.07454	8.4
189.01724	4.0
189.05409	9.7
191.03337	15.5
191.08415	3.0
193.04927	26.1
195.07990	2.4
197.05936	9.4
197.09581	2.2
199.03883	7.1
199.07535	5.0
201.05429	19.9
201.09114	7.6
203.03349	100.0
205.04953	2.5
207.02856	58.0
211.07610	6.2
213.05429	4.7
213.09151	1.8
215.03352	74.0
215.06728	13.1
217.04880	11.2
219.02924	4.0
219.08092	2.7
221.09633	3.6
225.05647	2.4
225.09071	6.1
227.07013	4.4
229.04927	6.8
229.08591	8.6
231.06409	2.3
233.04492	9.1
239.06985	7.9
241.08504	4.4
243.06496	8.1
253.08549	5.4
257.08099	5.6
266.08093	2.9
267.10129	4.6
271.16891	3.0
273.12634	4.1
273.18350	3.7
281.15308	17.3
291.13739	5.7
299.06168	6.4
299.16376	63.5
300.16757	2.5
309.14734	14.8
317.17465	5.6
327.15848	73.2
344.97510	2.6
345.16904	83.3
345.21100	4.1
372.12393	2.2
399.17044	3.4
412.31870	2.4
456.67700	2.1
501.20932	4.0
519.19507	2.5
519.33044	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	519.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22032	0.5
69.03394	0.5
69.89265	1.2
69.89680	2.7
71.12675	0.5
73.04718	0.9
74.02448	0.6
85.02880	1.3
91.05806	2.7
96.45185	0.5
103.05502	0.6
104.38206	0.5
105.07003	1.8
117.05727	0.8
117.06966	0.8
118.05737	1.0
118.06527	15.3
130.06534	1.1
132.08080	3.7
135.04378	0.6
142.06476	2.1
143.07260	1.9
144.08072	11.4
146.05984	57.9
159.09151	6.6
163.03935	2.9
164.04170	1.1
167.05511	1.5
170.05949	3.3
177.06631	0.7
188.07040	100.0
189.07349	1.0
205.09697	47.9
223.07056	0.6
238.71413	0.6
248.69939	0.6
264.12527	0.6
267.00040	0.9
283.03033	0.8
299.06125	3.4
321.10641	0.8
339.11960	4.1
344.97751	1.4
357.12863	1.3
359.02466	0.7
487.34714	0.6
519.62799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05795	0.3
55.05455	1.0
55.36560	0.4
55.82761	0.3
57.03423	1.7
57.07061	1.6
67.05474	0.7
69.07011	1.5
69.66089	0.6
69.66501	2.8
71.01303	0.6
71.08573	0.3
71.91344	0.3
79.05436	0.7
80.63110	0.4
81.07014	1.0
84.04437	0.9
85.02891	28.7
91.05374	0.4
93.05726	1.1
93.07015	0.4
94.06512	0.6
95.01273	0.4
95.08556	0.8
96.68893	0.4
103.03885	0.5
105.06962	1.4
106.06550	2.0
107.07328	1.7
107.08513	0.3
108.04499	0.4
113.02303	1.0
118.06460	1.3
120.04371	0.4
120.08086	1.9
122.05999	2.9
130.04985	6.1
131.03310	1.5
131.05258	1.3
132.08061	0.4
134.09584	0.5
135.06770	3.8
136.07484	1.0
145.10016	0.4
148.07524	3.0
148.11107	0.6
149.08293	0.4
150.09030	0.4
162.09093	0.4
162.12738	0.5
167.05441	0.3
176.10585	0.4
184.07292	0.5
204.17450	0.4
234.18529	0.5
234.22101	1.6
246.22166	3.2
247.32578	0.5
248.20081	0.5
248.23572	1.0
260.20139	3.1
260.23587	2.7
262.21588	4.2
272.23651	1.6
276.23154	12.8
288.23221	1.6
299.06317	0.4
302.24841	0.4
342.91339	0.3
370.34521	3.0
388.35675	61.5
389.36014	1.5
413.74738	0.4
441.82611	0.4
505.96292	0.4
518.38342	100.0
519.38745	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	518.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
56.05020	0.5
57.03421	0.1
58.06301	0.1
58.06618	0.4
59.07374	0.1
60.08152	6.0
67.05484	0.5
69.07050	0.1
70.06566	0.1
70.13627	0.2
70.14037	0.1
71.07359	2.9
72.50875	0.1
79.05471	0.2
81.07047	0.5
83.08559	0.1
83.11516	0.1
86.09689	31.0
87.10014	0.1
91.05444	0.1
93.07037	0.4
95.08598	0.3
98.21300	0.1
98.98448	2.6
104.10722	2.8
105.07018	0.1
107.08574	0.1
109.10155	0.1
116.99465	0.1
119.08551	0.1
121.10045	0.1
123.60059	0.1
124.99979	20.8
143.01003	0.2
163.01631	0.1
166.02640	0.1
184.07309	100.0
185.07666	0.5
258.11011	0.2
288.69952	0.1
335.25690	0.2
500.31177	1.1
518.32312	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02991	0.3
51.23875	0.3
55.05472	0.7
57.03421	1.8
57.07021	1.2
57.07274	0.3
57.91382	0.3
67.05458	0.5
69.07005	0.8
71.01306	0.6
71.08602	0.7
71.79086	0.4
79.05457	0.6
79.95481	0.3
81.07037	0.6
83.08574	0.3
85.02889	27.4
91.05421	0.5
92.80858	0.4
93.05721	1.2
93.07001	0.6
94.06498	0.4
95.01299	0.4
95.08535	0.8
103.03883	0.4
105.07008	1.5
106.06525	2.3
107.07334	1.5
107.08538	0.4
113.02344	0.4
115.50371	0.3
118.06530	0.6
120.04417	0.4
120.08089	1.8
122.06000	4.1
131.03336	1.2
134.09590	0.9
135.06755	2.8
136.07465	0.6
144.73564	0.4
148.07552	1.9
149.08229	0.4
162.09061	0.4
184.07275	0.7
206.19038	1.7
218.15314	0.3
218.18996	3.0
220.20534	0.7
232.16956	0.5
232.20532	2.3
234.18480	2.9
244.20551	1.7
248.17421	0.6
248.20055	10.8
260.20187	1.5
262.21555	1.0
276.23145	1.1
288.23114	1.6
290.24811	0.4
299.06131	0.6
302.24878	0.4
302.28204	0.4
336.12326	1.0
364.11688	0.7
370.34653	3.6
388.35672	65.7
389.35995	1.9
407.44266	0.3
458.36676	0.3
473.87338	0.4
500.37790	0.7
504.63303	0.3
518.38342	100.0
519.38641	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05494	0.7
56.05025	1.2
56.82452	0.2
57.03425	0.4
58.06562	1.3
59.07357	0.3
60.08151	17.2
63.65734	0.2
65.03953	0.2
67.05491	2.2
69.07029	0.5
70.06588	0.2
70.16248	0.8
71.07356	6.8
75.32732	0.2
79.05479	1.7
80.97425	0.2
81.07043	2.6
83.08620	0.3
86.09687	52.0
87.09962	0.2
91.05471	0.9
93.07014	1.8
95.04964	0.3
95.08596	1.8
97.30987	0.2
98.98444	3.8
104.10721	100.0
105.06995	0.4
105.11060	0.3
107.08574	0.7
109.10120	0.5
109.28593	0.2
121.10123	0.7
123.11637	0.2
124.99976	26.8
131.08528	0.3
142.38002	0.2
143.01016	0.4
147.33536	0.2
154.57549	0.2
163.01520	0.7
184.07306	93.2
185.07611	0.5
258.10953	0.9
335.25760	0.7
441.23721	0.3
500.31293	8.0
501.31668	0.2
518.32336	33.0
519.32605	0.8
533.92273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01860	1.2
57.03428	2.0
59.05000	0.5
61.02911	3.2
66.84075	0.4
69.03416	12.2
70.14152	1.8
71.04976	4.8
73.02903	4.7
78.46201	0.4
81.03400	17.4
81.07039	0.7
83.01335	0.5
83.04963	0.8
85.02889	65.0
87.04456	1.5
91.03945	0.8
91.05474	0.5
94.27073	0.4
95.04964	1.0
97.02873	35.1
98.20769	0.7
99.04436	44.7
100.04786	0.4
103.03922	77.4
104.04280	0.4
105.07034	0.8
107.04922	1.4
107.08607	0.6
108.04450	2.9
109.02858	21.1
111.04423	0.5
115.03917	1.6
115.05386	0.6
117.06973	0.5
122.02698	0.8
126.05499	0.6
127.03890	100.0
128.04216	1.0
134.30217	0.5
135.07983	1.1
139.03879	0.5
139.24728	0.4
145.04932	59.2
146.05321	0.4
154.06218	4.7
161.13242	0.5
163.06004	40.4
163.07472	4.3
164.06444	0.4
167.07002	1.0
169.04878	2.0
173.05927	1.4
187.05968	5.2
189.16417	0.4
195.10121	15.4
199.05881	0.8
201.08994	0.4
205.07008	2.5
205.08588	1.2
207.10117	1.5
217.08661	0.4
219.10060	1.0
231.45177	0.4
238.33260	0.3
247.08081	1.8
253.07030	1.2
261.11188	0.8
271.08063	9.3
275.12674	0.6
285.11087	2.1
289.09125	7.1
293.58316	0.4
298.99164	0.4
303.12225	3.8
306.11984	0.5
307.10150	6.8
315.80930	0.3
321.13217	0.5
356.18652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25922	1.1
53.03924	3.4
55.01849	2.0
55.05493	3.2
56.12142	0.9
57.03416	1.5
57.07059	1.8
59.04979	1.2
59.68797	1.1
61.02948	0.9
63.29329	1.1
66.68093	1.0
67.05489	8.0
69.03419	11.1
69.07051	7.2
69.44886	12.2
71.04961	3.8
79.05466	4.3
81.03406	8.7
81.07037	8.6
83.04962	4.4
83.08594	3.7
85.02888	41.9
85.06539	2.6
87.04445	1.0
91.05424	5.0
93.07019	6.2
95.04953	2.2
95.08589	16.4
97.02856	13.4
97.06494	1.5
97.10143	1.2
99.04436	26.8
99.08035	1.6
103.03923	52.7
103.05416	3.6
105.03366	2.1
105.07013	23.9
107.04912	1.9
107.08560	10.4
109.02845	11.7
109.06485	4.9
109.09380	2.2
109.10132	44.7
111.08072	6.5
115.05431	5.7
119.08559	20.1
121.02845	1.6
121.10117	9.5
122.98384	1.2
123.08041	9.0
123.11693	6.3
125.09583	1.8
127.03886	55.6
127.04835	2.7
128.06142	1.4
131.04874	2.1
133.06459	16.9
133.10106	12.4
135.11670	42.5
137.05940	3.0
137.09593	14.0
139.11130	1.6
141.06964	3.9
143.04871	1.4
145.02815	2.3
145.04933	28.2
147.04402	4.2
147.11679	2.3
149.13286	2.8
151.03831	1.1
151.11148	5.1
151.14809	4.9
158.07240	3.6
161.05934	27.0
163.03850	4.8
163.05978	26.7
163.07298	2.3
165.09006	1.7
165.12692	2.3
167.07039	3.2
169.06390	5.2
171.04446	1.3
173.09578	4.5
175.07523	2.6
175.14787	26.2
177.05460	3.7
178.06224	3.5
181.08528	2.0
185.06004	1.4
186.06697	12.3
187.05991	3.7
189.09111	1.5
191.14326	2.6
193.08586	16.3
193.15842	34.1
194.09410	1.3
201.09068	29.6
205.07050	2.1
211.16888	100.0
263.10605	1.4
271.08069	3.1
279.06848	1.1
281.08060	2.7
289.09177	1.1
295.13220	1.7
297.07529	2.4
307.10129	3.6
323.07751	1.1
323.12793	1.5
325.07141	1.2
338.10236	4.4
355.11505	2.2
355.15314	9.3
511.45047	1.2
517.20081	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69584	1.0
53.03935	2.4
53.28323	0.9
55.05500	5.8
57.07069	1.5
57.47132	1.0
59.04702	0.9
59.04988	2.3
67.05501	15.2
69.03417	10.2
69.07049	10.0
69.77356	4.2
69.77788	4.0
71.04970	3.5
73.02888	1.3
79.05485	3.5
79.31777	1.0
81.03419	3.6
81.07043	16.9
83.04965	9.3
83.08618	4.5
85.02890	18.6
85.06526	2.9
91.05500	3.2
93.07038	7.7
95.04976	1.3
95.08592	26.6
97.02871	6.3
97.10163	2.2
99.04450	11.0
99.08074	2.3
103.03922	19.5
105.07007	6.7
107.04929	1.1
107.08572	23.3
107.37160	1.0
109.02851	6.3
109.06509	7.3
109.10140	95.8
111.08054	2.6
113.09614	1.5
119.08562	37.8
119.09399	2.3
121.10119	12.1
123.08039	11.0
123.11686	5.8
125.09658	1.3
127.03897	27.2
131.08482	1.3
133.10107	22.6
135.11673	100.0
135.50075	1.2
136.11989	1.8
137.09613	17.0
139.11208	2.5
145.04929	10.2
145.10081	1.2
147.04379	2.1
147.11624	1.6
149.13258	5.7
151.11179	6.5
151.14798	9.8
151.15825	1.2
152.30096	1.0
153.12718	3.9
163.05986	5.1
165.16408	3.2
172.97493	1.2
175.14792	41.8
177.05356	1.6
187.06094	1.5
191.14334	2.9
192.14691	1.8
193.15855	73.6
205.07108	1.4
211.16896	87.0
433.62225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73651	0.4
67.08233	0.3
68.89175	0.3
69.79413	1.5
69.79852	1.7
82.96567	0.4
107.74270	0.4
156.88557	0.8
174.89569	100.0
204.86990	0.6
234.83022	0.4
318.90585	0.4
381.07791	6.3
418.51724	0.6
421.06616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2638
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
52.35685	0.8
55.01863	0.9
55.05494	1.3
57.03410	1.1
58.94139	1.0
60.24709	0.9
67.05482	1.4
69.03435	4.4
69.07055	1.8
71.04981	5.0
71.78762	1.3
76.48400	0.9
79.05470	2.1
81.03410	2.1
81.07043	4.8
83.04993	1.4
83.08613	1.0
85.02896	8.7
89.03912	1.6
91.05463	5.0
93.07040	1.8
95.04941	1.2
95.08589	2.1
103.03920	1.2
105.07008	3.3
107.04965	2.2
107.08578	13.6
109.02850	2.0
109.06477	5.9
109.10101	5.0
117.03378	1.8
117.06996	2.1
119.08588	2.0
121.06474	1.1
121.10131	10.6
122.07274	1.0
123.08044	1.8
127.03916	2.6
129.05453	1.1
131.08578	1.3
133.10107	100.0
135.04381	4.4
135.08028	13.1
135.11659	1.1
137.09595	54.7
145.02850	3.2
147.11633	1.1
149.13232	10.4
163.03877	16.8
163.14821	1.9
173.13231	5.3
191.14278	53.8
192.14755	1.4
207.13727	1.3
209.15334	33.6
248.80124	0.8
271.11664	0.9
437.27802	1.1
463.04327	1.0
517.29388	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
57.07068	6.0
63.64290	0.2
67.05497	2.0
70.91785	0.8
71.08623	2.3
81.07033	1.1
83.08596	0.6
85.10178	0.8
87.04447	0.4
88.19971	0.3
95.08592	2.6
109.10139	1.2
122.69478	0.3
132.50073	0.2
183.17422	0.4
209.08360	0.9
220.07677	0.5
224.06929	0.5
233.08356	1.2
234.09113	1.8
237.07896	0.8
241.07333	0.5
245.08371	0.7
246.09225	0.3
248.07045	2.7
249.05478	2.6
249.07756	0.5
250.06219	0.7
260.07227	0.4
261.07877	1.5
262.08600	12.1
263.09418	3.0
265.07288	0.4
272.07074	0.3
273.07932	0.7
274.08603	2.9
275.09381	0.8
276.06506	0.9
276.19418	0.5
277.07306	2.5
278.11734	1.2
288.06613	0.8
290.08072	26.4
291.08850	33.4
292.09344	0.5
306.11203	76.7
307.11542	1.1
314.91025	0.3
327.08881	0.6
328.09677	1.1
334.10681	100.0
335.11060	1.0
356.09140	2.6
370.10727	0.4
488.27863	2.2
498.26413	1.7
515.51776	0.6
516.27374	5.4
516.47473	0.9
533.23242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73055	0.4
52.41262	0.4
53.03948	0.5
55.01858	1.2
55.05502	3.3
57.03418	3.0
57.07067	8.7
58.40339	0.4
67.05502	3.3
67.27198	0.4
69.03413	4.6
69.07060	4.5
69.46374	3.8
69.46786	0.9
71.01382	0.7
71.04971	2.0
73.02882	1.5
73.06558	0.5
77.03866	0.5
79.05473	6.6
81.03391	1.2
81.07034	5.9
83.04970	2.4
83.08617	2.2
85.02897	4.4
85.06528	10.0
87.04462	1.0
87.08088	1.3
91.05464	16.9
93.07038	4.4
95.04943	1.1
95.08573	2.0
97.02889	0.8
97.06510	1.2
99.04436	1.4
99.08070	1.5
103.03920	1.0
104.06203	1.2
105.07014	4.6
107.08572	1.7
108.14474	0.4
109.06496	3.6
111.04404	1.2
111.08066	8.5
115.03905	0.8
117.05496	1.2
117.07001	1.2
123.08031	1.8
125.09608	1.8
127.07533	7.0
129.09119	1.7
132.02589	0.4
133.10106	100.0
134.10434	0.7
135.08028	1.3
141.09064	0.8
143.10594	0.4
147.08003	3.7
149.09590	27.2
153.09076	7.3
159.11646	0.5
165.09062	0.5
165.10875	0.4
169.08534	0.9
171.08643	1.0
171.10143	19.6
187.09566	0.5
189.11195	21.5
195.90918	0.5
276.19604	0.6
280.67563	0.5
319.19086	0.8
333.17139	0.5
335.18405	0.6
337.20068	5.9
351.18176	0.4
449.10257	0.5
485.28964	6.3
516.46796	0.5
517.38855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.8
55.01860	2.4
55.05502	12.4
55.78970	0.9
57.03437	4.6
57.07050	1.1
63.20732	0.9
65.03930	2.3
66.43620	0.9
67.05491	39.9
69.07049	9.8
71.04978	2.9
79.05478	36.6
81.03398	2.3
81.07037	28.3
83.04967	4.3
83.08591	4.7
85.06544	1.8
91.05464	23.2
93.07024	43.9
95.04949	7.5
95.08586	20.9
97.06495	4.7
97.10135	6.4
99.08070	1.7
105.07018	13.1
107.04923	1.3
107.08569	21.7
109.06480	1.2
109.10142	7.6
111.07999	1.8
117.06979	7.0
119.08557	11.8
121.06519	1.0
121.10122	10.8
123.08029	1.4
123.11698	1.4
125.09639	2.1
129.06995	3.1
130.52547	0.9
131.08549	10.9
133.10083	7.8
135.07967	1.0
135.11662	25.6
137.09630	1.1
141.06995	1.4
143.08537	4.3
145.10086	13.6
147.11642	4.8
149.13295	2.3
153.12701	1.6
155.08537	1.9
155.35815	0.9
157.10114	3.9
159.11682	6.3
161.13272	3.1
163.11209	3.8
169.10114	1.5
171.11702	3.0
173.13268	4.3
179.77689	0.9
181.10085	1.3
181.12218	5.5
183.11685	2.0
185.13222	1.9
187.14798	3.6
213.16449	1.6
223.54802	1.1
243.21199	1.4
261.22156	2.9
265.05591	1.0
405.31699	1.9
423.32541	5.5
441.33456	2.3
497.36371	3.2
515.37238	100.0
516.37646	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01847	1.7
55.05502	15.2
57.03428	4.9
57.07053	1.8
65.03922	1.5
67.05492	44.0
69.03404	0.9
69.07053	12.4
70.91639	0.9
70.92021	0.9
71.01338	1.1
71.04967	2.0
71.08639	0.5
77.03917	0.7
79.05478	40.4
81.03400	2.8
81.07042	33.1
83.04955	6.3
83.08608	4.2
85.06525	2.2
91.05461	23.4
92.01145	0.4
93.07026	44.1
95.04954	7.1
95.08591	21.5
97.06516	5.4
97.10148	6.0
99.08092	1.4
105.04504	0.7
105.07010	12.1
107.04951	1.1
107.08575	23.8
109.06499	1.4
109.10133	9.1
111.08077	1.6
115.05424	0.7
115.59377	0.7
117.06999	7.7
117.20808	0.5
119.08563	11.4
121.06530	0.6
121.10123	14.6
123.08062	0.8
123.11688	2.1
125.09619	1.0
128.06184	0.7
129.06995	2.5
130.07803	0.8
131.08537	9.5
133.10103	7.9
135.11664	30.7
137.09598	1.2
139.11189	0.5
141.06918	0.5
142.07753	0.6
143.08534	3.3
145.10097	12.7
147.11649	4.6
149.09596	0.5
149.13208	3.5
151.11099	0.8
151.43196	0.5
153.12787	1.9
155.08559	1.5
157.10081	3.2
159.08047	0.6
159.11673	5.6
161.13272	2.5
163.11154	3.7
163.14803	1.2
169.10106	1.9
171.11716	2.5
173.13211	4.5
175.14853	1.2
181.10493	0.9
181.12215	5.2
183.11676	2.1
185.13235	2.0
187.14790	1.8
189.16341	0.8
195.11705	0.7
197.13295	1.4
199.13248	1.1
199.14874	1.2
205.15842	0.6
209.13272	0.8
211.14725	0.7
213.16388	0.8
215.18059	0.6
223.14804	0.6
229.15779	0.5
241.15894	0.5
243.21121	1.3
255.15910	0.7
261.22000	4.1
299.23813	0.7
311.23816	0.6
317.24728	1.6
405.31348	1.1
423.32578	4.4
441.33768	1.6
462.15018	0.5
497.36374	2.9
515.37250	100.0
516.37555	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01855	2.3
55.05500	20.1
56.45139	2.8
57.03418	8.5
57.07071	2.9
58.04863	2.2
61.02905	4.7
65.03916	5.9
67.05492	85.4
69.03413	8.6
69.07054	18.1
69.97031	15.8
71.04993	5.4
73.02899	2.5
79.05018	3.0
79.05477	51.6
81.03400	8.9
81.07044	100.0
81.07533	5.8
83.04984	4.4
83.08599	9.8
85.02892	7.0
85.06528	3.5
86.09724	3.1
89.89101	2.2
91.03934	2.9
91.05466	35.8
93.07030	60.5
93.89407	2.6
95.04948	15.6
95.08595	66.9
97.02884	6.3
97.06516	5.0
97.10161	7.0
99.04411	2.8
99.08085	4.8
100.31738	2.7
103.05428	4.3
104.10698	3.2
105.07019	36.2
107.04962	4.9
107.08574	35.0
109.06477	7.7
109.10135	35.3
111.08047	2.8
115.05450	4.3
117.06990	14.9
119.08566	23.8
121.10123	36.6
123.08030	3.0
123.11689	17.1
125.09603	5.2
127.03912	2.6
129.06969	3.7
131.04895	3.4
131.08534	24.9
133.06514	6.4
133.10089	21.3
135.08044	4.0
135.11671	26.6
137.02321	8.3
137.09627	3.4
137.13208	4.7
139.11189	2.9
143.08574	3.7
143.96722	2.5
145.06416	2.8
145.10138	19.3
147.11690	16.4
149.13210	14.4
150.34343	2.5
151.14763	4.5
155.08513	2.5
157.10132	6.1
159.11662	17.1
161.05937	3.1
161.13268	14.4
163.14774	14.6
165.12793	3.3
169.10228	2.7
171.11589	3.3
173.13202	13.5
175.14781	4.9
177.16359	6.0
179.14291	2.6
185.13210	3.4
187.14792	6.5
193.08478	3.3
194.09285	3.3
205.15900	3.3
233.22574	4.0
243.21143	24.5
251.05733	2.4
261.22131	66.7
271.16687	2.3
271.20419	2.5
279.23160	3.5
294.07611	26.8
303.23297	3.9
313.17935	7.7
317.24670	3.0
322.07077	24.9
324.08725	3.3
335.25797	23.1
341.17615	3.2
345.24426	3.4
353.26794	25.3
369.24127	5.2
387.25406	4.0
405.26434	5.1
419.27805	6.9
461.28583	4.4
497.30972	9.4
515.22485	5.2
516.16412	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.05499	16.5
57.03436	5.6
57.07067	5.8
60.57312	3.3
61.02897	3.5
65.03925	4.3
65.40216	3.0
67.05499	80.9
69.03422	7.5
69.07066	16.5
69.60565	29.4
71.04966	4.5
71.73289	3.0
73.02905	3.2
79.05486	57.1
81.03413	5.6
81.07045	100.0
82.07407	3.8
83.04940	5.1
83.08613	13.6
85.02911	6.2
85.06522	3.4
91.05450	33.7
93.07032	71.5
95.04952	5.5
95.08592	68.6
97.02912	3.6
97.06519	5.3
97.10145	3.8
105.07035	27.1
107.08569	39.7
109.06504	6.7
109.10135	33.4
111.08063	3.6
117.06981	16.9
119.08566	27.1
121.10120	36.0
123.11687	19.1
127.03893	5.1
129.06995	4.5
131.08562	30.9
133.10107	14.8
135.08075	3.7
135.11668	31.1
137.13229	7.7
143.08560	5.9
145.10121	24.0
147.11668	16.6
149.13232	21.5
157.10115	3.7
159.11681	19.7
161.13223	13.1
163.14786	16.3
169.10091	3.5
171.11662	4.9
173.13214	22.4
175.14771	6.3
187.14825	12.6
220.66539	3.3
243.21062	32.4
261.22119	86.3
271.20609	3.5
335.25830	12.7
341.24286	3.8
353.26669	21.8
369.24307	5.0
387.25208	5.9
389.52884	3.7
419.27789	3.6
497.31042	7.2
515.36597	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.05502	18.3
57.03437	10.5
57.07066	5.9
61.02909	6.0
65.03927	3.9
67.05500	89.0
68.05003	2.3
69.03410	5.4
69.07065	20.2
71.04987	5.0
71.08618	3.1
73.02885	3.0
79.05484	51.4
80.65618	1.7
81.03407	4.2
81.07048	100.0
82.07371	1.8
83.04953	3.4
83.08607	8.9
85.02888	6.9
85.06537	2.6
91.03903	1.6
91.05467	28.5
93.07036	62.2
95.04968	10.1
95.08600	72.8
96.04473	2.3
97.02884	4.7
97.06519	5.9
97.10153	3.3
99.04461	2.6
99.08086	4.3
103.03923	2.4
105.07027	22.3
107.07879	3.5
107.08582	44.0
109.02898	2.0
109.06476	6.4
109.10155	40.3
111.04416	1.9
111.08051	2.6
117.07011	13.4
119.08565	19.6
121.02859	6.1
121.06391	2.0
121.10133	37.9
123.08060	3.2
123.11687	21.6
125.09603	4.2
127.03938	2.4
129.06970	4.6
131.08574	24.7
133.10120	17.7
135.07973	3.2
135.11678	27.6
137.09648	2.8
137.13252	7.6
139.11157	3.7
143.08525	2.7
145.06459	2.0
145.10123	20.9
147.11679	14.8
149.13245	20.8
151.11179	2.0
154.07802	2.1
156.10185	3.6
157.10150	3.6
157.47733	2.1
159.11674	19.2
161.09540	2.0
161.13219	12.4
163.11119	2.3
163.14792	12.6
169.10196	2.1
171.11679	3.5
173.13243	17.7
175.14777	4.9
177.16394	4.4
179.14340	3.9
181.42281	1.7
183.11810	2.3
185.13242	3.0
187.03938	5.3
187.14839	12.1
199.14905	1.8
201.12701	1.8
201.16476	3.1
205.15724	2.4
207.77223	1.9
229.87018	2.0
233.22665	2.8
236.07024	2.4
243.21051	25.3
261.22119	75.0
262.22452	2.9
264.06775	2.2
279.23169	4.9
303.23120	3.5
317.24704	2.8
335.25726	26.1
341.17719	3.5
345.24146	4.2
353.26822	20.4
369.24261	1.9
387.25259	2.9
405.15323	1.6
419.27838	3.9
461.29358	4.0
479.30099	4.4
483.12994	3.2
497.31122	8.5
515.15686	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	515.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03939	3.4
55.01854	3.0
55.05488	2.1
57.03431	3.8
57.88242	0.6
61.02900	1.4
65.03915	0.9
66.64494	0.6
67.05489	3.8
69.03419	25.8
69.07055	9.3
69.65601	0.5
70.06569	0.7
71.01328	1.2
71.04987	2.8
71.69092	0.8
73.02883	2.4
77.03906	0.6
79.05476	2.0
81.03408	13.9
81.07049	2.9
83.01328	0.6
83.04967	8.5
85.02892	59.8
85.06580	0.7
86.03236	0.8
87.04454	2.1
91.05466	2.7
93.03384	1.3
93.07012	2.2
95.04944	4.0
95.08594	4.0
97.02883	23.9
97.06493	1.4
99.04442	6.1
103.03896	0.8
105.07014	4.2
107.04942	1.2
107.08562	6.2
109.02868	19.4
109.06485	1.5
111.04420	6.8
111.08060	1.9
113.02324	1.0
115.03938	3.6
116.06200	0.6
117.06981	1.0
119.08575	5.0
121.02779	0.8
121.06496	1.7
121.10137	4.1
123.04417	3.8
123.08030	2.8
125.02340	1.4
127.03899	20.3
129.05424	2.2
129.06944	1.0
131.04883	0.7
131.08553	11.6
133.02812	1.3
133.10129	7.4
135.04385	1.4
135.08041	12.4
135.11665	1.8
137.02313	2.6
137.05872	0.7
139.03874	1.8
141.05412	0.9
143.03334	0.8
143.08539	2.1
144.09328	0.6
145.02824	1.7
145.04933	15.0
145.10117	3.8
147.04375	1.9
147.11642	2.1
149.09596	6.7
149.13200	2.1
150.05531	0.7
151.03932	0.9
157.04956	0.9
158.10884	5.1
160.05185	2.5
161.02336	0.9
161.05902	1.2
163.03905	7.2
163.05992	0.9
163.11215	0.7
163.14804	2.3
165.06976	3.2
169.04907	0.7
173.02328	6.8
173.03867	0.7
173.13234	36.9
175.14787	1.9
177.06934	1.2
181.06473	1.1
185.13388	0.7
187.03889	2.7
187.05968	1.6
187.14859	0.8
189.12695	0.7
191.14284	100.0
192.14610	2.4
193.06410	2.9
195.08163	1.5
197.06027	1.0
197.43634	0.7
199.05946	0.9
203.03342	0.9
203.14337	1.2
205.06438	3.5
209.15344	1.0
211.05963	1.8
215.14314	0.7
217.07010	0.7
221.05946	13.6
221.08073	0.8
222.06360	1.1
223.07513	8.0
224.07872	0.7
225.05524	0.8
227.11758	0.7
231.02739	1.0
233.05969	2.5
239.06972	3.7
249.02902	1.5
249.05438	18.3
250.05981	2.3
251.07002	8.1
253.07054	1.4
267.06500	3.8
269.08035	4.6
271.08237	1.5
277.04910	10.1
279.06500	1.4
281.04388	0.8
285.07651	0.8
287.10126	3.0
289.09146	1.1
295.05975	37.5
296.06219	2.8
297.07486	2.0
299.10446	0.8
301.11835	0.7
305.04443	1.7
313.06940	6.5
317.11230	3.8
317.17255	0.8
323.05472	39.8
324.05756	3.8
335.12399	2.4
335.18408	6.1
341.06467	6.6
342.06631	1.2
353.19592	1.0
383.17453	0.8
419.12405	0.7
469.11411	0.7
497.10593	5.2
515.11823	4.1
515.25110	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	515.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01841	0.8
55.05503	1.7
57.78981	0.6
65.03928	0.7
67.05481	2.9
69.03421	7.5
69.07057	1.3
71.04966	0.7
71.12148	1.7
72.08492	0.5
79.05486	7.6
81.03407	3.0
81.07040	8.3
83.04953	3.4
85.02898	11.6
91.05462	5.9
93.07027	4.5
95.04939	1.2
95.08591	2.2
97.02863	4.4
97.06556	0.6
99.04440	6.1
103.03930	14.1
105.07018	7.8
107.04946	5.7
107.08577	23.1
109.02842	4.7
109.06503	3.5
109.10146	5.9
115.05477	0.7
117.06976	1.7
118.07758	0.9
119.08575	3.5
121.06523	3.2
121.10122	11.9
122.07265	3.4
123.08044	1.5
127.03897	19.9
131.08539	2.7
133.10107	100.0
134.10478	1.5
135.08034	9.8
135.11656	1.1
137.09593	49.1
138.09897	0.9
145.04939	11.7
145.10109	1.5
147.11656	2.1
149.09613	3.4
149.13222	7.8
158.10887	1.3
163.05997	8.4
163.14818	1.8
173.13213	5.4
187.05998	1.2
191.14278	98.7
192.14616	1.6
205.07057	1.3
209.15337	8.9
238.60904	0.7
271.08118	2.1
289.09125	1.8
307.10181	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09365	0.4
53.03939	1.5
55.05493	1.7
57.03426	0.5
57.07070	0.6
60.07962	0.3
61.02903	0.5
65.03936	0.5
67.05182	0.3
67.05494	2.8
69.03416	8.6
69.07056	1.7
70.44962	2.0
71.04993	0.6
77.86908	0.4
79.05482	7.8
81.03401	2.4
81.07050	8.0
83.04970	3.4
85.01392	0.4
85.02372	0.6
85.02892	11.6
85.06526	0.5
91.05450	5.0
93.07026	4.3
95.04955	1.7
95.08602	1.9
97.02885	4.5
97.06523	0.5
99.04445	5.8
103.03237	0.7
103.03928	14.8
105.07008	7.2
107.04935	6.2
107.08578	24.7
108.08878	0.5
109.02876	4.7
109.06511	3.4
109.10140	5.0
115.05443	1.4
117.06995	1.4
119.08591	3.1
120.21066	0.5
121.06480	2.5
121.09254	0.5
121.10123	11.5
122.07273	4.9
123.08044	1.3
127.03895	18.1
131.08549	2.4
133.10109	100.0
134.10435	1.6
135.08029	7.9
135.11671	1.2
137.09595	52.1
138.09937	0.7
143.08603	1.0
145.04944	12.1
145.10127	1.3
147.11653	2.8
149.09581	1.9
149.13234	9.5
151.11220	0.5
158.10857	1.3
163.06004	9.1
163.14825	1.8
165.03427	0.4
169.04866	0.4
171.11565	0.5
173.13245	7.2
187.05869	0.8
191.14284	95.5
192.14642	1.7
205.07060	0.8
209.15353	8.9
215.83459	0.5
271.08124	2.6
289.09027	1.8
307.10178	2.2
335.18176	0.7
418.58627	0.5
461.21396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87453	0.3
53.03942	1.0
55.05502	1.9
57.03432	0.4
57.07060	0.6
59.04990	0.4
59.96749	0.3
61.02916	0.6
64.95448	0.2
65.03929	0.7
67.05497	2.3
69.03414	7.5
69.03769	0.5
69.07057	2.2
71.04980	1.0
71.57009	0.5
73.02901	0.4
77.03938	0.5
79.05478	8.0
81.03400	2.7
81.07040	9.4
83.04965	3.5
83.08601	0.8
85.02890	11.6
85.06545	0.4
87.95883	0.2
91.05453	5.7
93.07020	4.3
95.04960	1.5
95.08596	2.0
97.02875	4.2
97.06507	0.7
99.04443	6.5
103.03922	14.9
103.05402	0.6
105.07006	7.3
105.07701	0.5
107.04940	6.4
107.08574	26.0
108.08918	0.5
109.02854	4.1
109.06495	4.3
109.10133	6.5
110.10477	0.3
115.05431	1.0
117.07018	1.9
118.07787	0.3
119.06067	0.6
119.08532	3.0
121.06490	2.8
121.09231	0.6
121.10123	11.8
122.07265	5.3
122.10478	0.3
123.08046	1.7
127.03891	18.9
128.04195	0.4
129.07024	0.6
131.08560	3.2
133.10103	100.0
134.10405	2.1
135.08032	9.3
135.11655	1.3
137.09589	56.3
138.09937	1.1
143.08527	0.5
145.04932	12.1
145.10103	1.4
147.11658	2.3
149.09631	1.3
149.13226	10.5
149.14432	0.6
150.13617	0.5
151.11134	0.5
158.10876	1.0
163.05991	10.9
163.14801	2.0
169.05005	0.4
173.13231	6.4
187.06023	1.3
191.14273	98.5
192.14598	2.2
198.49521	0.3
205.06998	1.4
209.15335	8.8
210.15685	0.4
217.43581	0.3
253.07013	0.7
271.08038	2.1
289.09067	1.4
295.06009	0.3
307.10138	2.1
313.52100	0.3
317.17255	0.3
323.05322	0.4
335.18549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01839	1.1
55.05497	3.0
57.03417	0.9
57.07046	2.6
61.02910	1.4
65.82697	0.8
67.05491	4.0
69.03416	54.0
69.07050	4.3
70.06567	0.9
71.04962	2.8
71.79777	1.1
73.02871	1.8
79.05464	3.1
81.03399	9.6
81.07033	4.9
83.04976	4.7
83.08587	1.2
85.02888	36.4
85.06524	3.2
87.04461	0.9
87.35311	0.9
91.05460	5.1
93.07024	6.3
95.04911	1.8
95.08582	9.8
97.02872	12.4
97.06495	4.1
99.04433	23.6
99.25849	0.9
103.03923	50.4
105.03358	1.0
105.06976	4.8
107.05023	1.0
107.08571	14.6
109.02863	8.8
109.06512	5.3
109.10147	3.9
111.04361	1.0
111.08057	3.5
116.66126	0.8
117.07005	1.4
119.04910	1.4
119.08559	5.4
121.06468	3.4
121.10120	11.5
123.08025	3.1
123.11683	7.9
125.09608	23.0
127.03892	49.5
128.54604	0.7
131.08562	7.0
133.10112	6.5
135.08038	15.2
135.11668	7.0
137.05907	0.9
137.09624	2.4
143.08499	1.7
144.09325	1.0
145.04933	28.4
145.10049	4.7
147.04376	3.2
147.11673	6.4
149.09595	6.7
149.13200	6.1
151.11148	2.1
153.09052	8.2
155.08577	0.9
158.10847	4.1
161.09587	2.1
163.03935	1.6
163.05997	23.7
163.11183	3.8
163.14796	4.8
165.12688	4.4
169.04944	1.1
173.13240	21.1
176.12038	1.7
177.05469	1.8
187.05977	2.3
191.14270	94.4
192.14578	1.3
205.07004	2.8
209.15327	100.0
210.15532	1.8
271.08105	2.0
289.09036	1.4
307.10242	3.6
313.03455	1.1
323.05441	1.2
338.13489	0.9
370.35001	0.9
471.92258	0.9
515.18781	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	515.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
57.07070	2.1
57.38754	0.2
61.46581	0.2
67.05497	1.4
69.07043	1.1
71.08600	0.7
79.05487	0.5
79.93636	0.2
81.07032	0.8
83.08601	0.3
84.04566	0.2
89.88077	0.2
91.05452	0.6
93.07051	0.4
95.04962	0.4
95.08585	0.9
105.03389	0.5
105.07014	0.4
107.08627	0.3
107.69917	0.3
111.04424	0.6
115.05492	0.4
117.06989	0.5
119.08517	0.4
121.02824	0.5
131.04933	0.5
131.08592	0.3
137.53944	0.3
141.06924	0.3
142.04541	0.3
143.04866	0.5
144.05640	0.7
145.06468	2.5
145.09998	0.3
153.01762	0.5
155.02336	0.3
155.04904	0.7
157.06429	0.3
159.04401	0.5
161.05965	2.5
169.06425	0.6
171.04398	1.2
172.05197	0.5
173.05957	4.0
183.04364	0.5
185.05934	0.5
187.03877	15.7
189.05446	7.8
197.05983	1.0
200.04652	18.0
201.05435	8.2
214.06129	0.3
215.06902	0.4
295.05585	0.3
297.18219	0.3
313.03296	1.1
313.17917	100.0
314.03687	0.9
314.18286	1.0
315.04071	1.3
328.05237	0.3
329.05594	0.4
333.22937	0.3
341.17419	10.6
357.05069	0.3
361.10007	0.3
454.09250	0.6
469.11691	1.0
469.21075	0.5
497.10812	0.6
497.20703	4.6
515.15515	0.4
515.21979	3.6
515.37646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01861	0.4
55.05497	1.4
57.07066	1.3
65.03909	0.5
67.05487	1.8
67.86089	0.2
69.07059	2.0
71.08610	0.8
71.20671	0.6
79.05475	0.7
81.07043	1.2
83.04988	0.5
91.05475	0.5
93.07013	0.6
95.04951	2.9
95.05509	0.4
95.08569	0.5
97.10177	0.2
103.05434	0.5
105.06988	0.4
107.04961	0.3
107.08533	0.2
109.10155	0.3
111.04409	0.5
115.05424	0.8
117.06989	0.6
119.08546	0.2
121.02858	2.2
121.10175	0.2
128.06189	0.4
129.06992	0.7
130.66272	0.2
131.04907	2.5
131.08502	0.3
139.03874	1.7
141.06970	1.2
143.04861	0.3
144.05672	0.5
145.06467	1.4
145.10081	0.2
147.04376	0.4
155.04895	1.0
155.08540	0.4
157.06491	0.6
159.04379	3.4
161.05957	0.6
165.06964	0.7
169.06474	1.0
169.10010	0.2
171.04382	0.8
172.05206	0.9
173.05954	3.2
175.03876	0.8
179.08707	0.3
183.04453	1.0
183.08022	0.5
185.05986	1.4
187.03886	7.4
189.05435	0.9
193.04951	0.5
193.06520	0.5
197.05923	2.5
199.03862	4.0
199.07466	0.3
200.04643	6.5
201.05434	6.1
207.08130	0.3
210.06587	0.3
211.07507	1.4
213.05440	6.9
215.03409	1.0
215.06952	0.3
217.04906	2.4
221.05957	0.9
223.07481	0.3
225.05449	3.2
225.08784	0.3
227.03394	0.2
227.06848	0.5
228.04190	0.3
229.04932	1.2
235.07451	0.4
237.09224	0.3
239.06993	4.7
245.04460	0.4
251.06987	0.4
253.08627	1.0
311.16351	0.8
313.17923	8.1
313.21542	0.5
339.15735	0.3
341.17426	100.0
342.17712	1.3
357.16986	1.5
359.18509	4.2
379.14258	0.4
394.16187	0.3
395.17456	1.2
497.21606	0.4
499.62427	0.2
503.83673	0.3
515.19373	1.3
515.37170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
54.00397	0.5
54.15306	0.5
55.01879	0.6
55.05508	4.8
57.07067	13.8
57.88417	0.5
65.03916	2.4
67.05172	0.9
67.05496	9.7
68.99783	0.7
69.07051	7.1
69.62339	5.3
71.04973	0.5
71.08624	20.3
72.24828	0.6
77.89894	0.5
79.05464	2.4
81.06590	1.0
81.07046	14.3
83.04962	2.2
83.08575	0.8
85.06525	0.5
85.10165	10.5
91.05449	1.6
93.03373	1.6
93.06999	1.3
95.04958	11.3
95.08601	14.4
97.10183	0.5
98.20695	1.3
103.05447	3.6
105.03352	1.7
105.06980	0.9
107.04936	4.6
109.10110	0.7
111.04431	7.8
115.05436	1.3
117.03392	0.6
117.06989	1.2
121.02846	4.5
121.06476	1.3
131.04916	9.2
135.04408	1.6
137.13231	1.6
139.03857	3.1
141.03271	0.7
141.07002	1.1
145.06483	1.3
147.04419	0.7
149.05956	8.1
153.01801	4.3
153.06998	0.7
155.14284	10.3
159.04391	2.1
160.05260	0.6
161.05937	5.1
163.03874	2.4
169.06462	2.1
173.05968	19.1
177.05455	37.5
181.06447	1.2
183.04456	0.9
185.05983	2.4
187.03737	23.5
187.05084	4.5
189.05449	12.7
197.05948	4.5
199.07544	1.7
200.04674	0.9
201.05470	3.8
203.03409	0.8
205.04936	61.3
215.03375	27.1
215.06973	1.7
217.04955	1.6
225.05426	0.9
229.04944	0.9
231.06424	1.5
243.06520	1.0
249.38297	0.6
269.04425	0.8
295.16757	0.9
297.04059	0.9
313.17932	2.4
314.03961	0.7
317.17474	1.6
325.03406	1.5
327.04736	1.0
331.19153	4.3
339.04141	0.7
341.17435	100.0
342.17621	1.5
343.04431	4.7
343.08099	1.1
359.18491	10.6
379.08624	0.9
394.10443	0.8
469.18481	1.0
497.17578	3.0
515.15967	1.2
515.22729	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71655	0.4
53.00320	0.4
53.03947	0.3
55.05494	2.0
57.06816	0.5
57.07066	5.3
64.90148	0.4
67.05490	3.8
68.99783	1.1
69.07057	1.9
71.08622	6.0
79.05474	0.9
81.03441	0.5
81.07041	5.0
83.08588	1.3
85.10175	2.7
91.05460	0.6
93.07020	0.7
95.01342	0.4
95.04964	1.0
95.08594	6.1
105.03382	0.9
107.04907	0.4
109.02849	0.5
111.00784	0.8
121.02850	1.5
121.20216	0.4
127.03947	0.4
131.04901	0.4
135.04378	0.9
137.02316	0.5
139.03848	0.5
145.06480	0.5
147.04396	1.3
153.00604	0.8
153.01813	12.9
154.02144	0.4
155.14313	1.2
159.04405	1.4
161.02292	0.6
163.03937	1.5
164.32573	0.5
165.01813	1.7
168.46230	0.4
175.03889	2.1
175.48599	0.4
177.01837	1.1
177.05412	0.7
183.02805	0.5
185.05928	0.9
187.03871	1.4
189.01836	1.3
189.05429	1.0
191.03400	0.5
197.05977	0.5
199.03838	0.9
203.03409	5.3
205.04936	1.7
207.02870	0.9
213.05434	2.1
217.01047	0.4
227.03372	0.8
229.04922	0.6
231.02875	1.0
231.06578	1.0
235.02463	0.6
241.05005	2.7
245.04517	1.1
253.05008	0.7
255.02882	1.1
258.05286	1.3
259.02518	0.5
259.06082	2.2
268.03619	1.3
269.04398	6.0
273.03848	0.7
281.04633	0.6
285.03958	2.9
286.04590	3.1
287.05389	3.8
296.03192	3.1
297.03903	15.6
297.07275	0.9
298.04547	0.5
299.05386	0.6
301.03427	1.7
311.05386	0.8
313.03418	3.4
314.04181	5.0
315.04938	4.7
325.03394	4.3
325.06787	0.9
327.04901	1.8
329.02823	2.8
339.05051	1.2
341.17648	0.6
342.03506	0.5
343.04437	100.0
344.04791	1.8
355.03854	0.4
361.05591	2.7
423.18152	0.6
451.17535	2.6
469.18439	4.4
479.16965	7.5
497.18027	32.8
498.18536	0.5
515.19122	3.4
515.25403	0.7
515.30908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04118	0.3
55.01836	0.4
55.05489	1.4
57.07063	4.5
62.90825	0.3
67.05493	2.8
68.99760	1.1
69.07050	2.3
69.56435	3.6
71.08615	6.8
76.33209	0.3
79.05476	0.9
81.07037	4.8
83.04937	0.4
83.08591	1.2
85.10171	3.4
93.07011	0.6
95.04931	0.9
95.08589	5.1
105.03380	2.7
105.06992	0.4
107.04898	0.6
111.00758	1.4
119.04941	0.4
121.02815	1.8
123.04423	0.7
123.11732	0.4
129.07025	0.3
130.18967	0.4
131.04900	1.3
133.02788	0.4
137.02322	1.2
137.13257	0.3
145.02748	0.4
147.04364	0.9
149.05946	0.7
153.01790	12.8
155.14281	1.2
159.04370	2.4
161.02271	0.8
163.03874	1.9
165.01875	2.1
166.26169	0.4
175.03833	2.8
177.01804	0.9
177.05421	1.2
179.03291	0.4
183.02763	0.6
185.05946	0.4
187.03848	2.3
189.01820	0.8
189.05490	0.7
191.03362	0.6
197.05920	0.6
199.03944	0.8
201.05353	0.5
203.03345	5.8
204.06152	0.3
205.04913	2.4
207.02824	1.0
213.01843	0.4
213.05399	1.7
217.04892	0.9
227.03278	0.8
229.04936	0.7
231.02861	1.4
231.06404	0.7
241.05013	2.2
242.05621	0.5
253.04892	0.9
255.02745	1.6
257.04407	0.5
258.05283	1.4
259.05963	1.6
259.28836	0.4
268.03607	1.3
269.04391	4.0
270.05157	0.4
273.03964	0.6
281.04404	0.7
285.03854	2.4
286.04672	3.2
287.05487	3.3
296.03091	3.6
297.03897	14.8
297.07306	0.8
298.04675	0.8
299.05380	0.6
302.07993	0.4
309.03821	0.6
311.05493	1.4
313.03378	3.2
314.04114	4.8
315.04886	3.9
325.03394	3.7
326.04047	0.7
327.04916	1.3
329.02823	1.2
339.05048	1.9
341.17358	0.7
343.04413	100.0
344.04822	3.3
353.02792	0.5
353.24780	0.8
359.18488	0.4
423.17773	1.0
433.72946	0.5
451.17401	2.7
469.18317	4.4
479.16846	9.1
497.17993	29.4
498.18051	1.0
515.18811	0.8
515.29382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.118
Annotation	(-)-Brainic acid
Peak:m/z	Relative Intensity
54.40747	0.4
54.83743	0.4
55.01867	0.8
56.32088	0.4
67.05480	1.1
69.03398	2.0
69.07054	0.6
71.03101	1.0
80.09044	0.4
83.04961	1.5
85.02903	2.2
93.03389	0.5
95.04950	0.9
97.02890	0.8
105.06979	0.5
109.02894	0.4
111.04410	0.6
111.08116	0.5
123.04417	0.9
126.10381	0.5
127.03907	1.0
131.08551	0.7
133.02789	0.6
135.07990	1.0
137.02318	0.7
139.03850	0.7
141.06989	0.9
145.04950	0.6
149.09622	0.9
151.69522	0.4
160.05217	0.8
161.02289	0.5
163.03897	3.0
165.06952	6.8
169.06413	0.9
173.02303	2.5
173.13219	1.1
177.06985	1.1
177.47118	0.5
181.06401	1.0
187.03873	1.9
191.14264	7.9
193.06454	7.5
197.05934	1.4
203.04974	0.6
205.06480	3.3
211.07510	3.3
220.05136	0.6
221.05940	23.1
222.06276	0.9
223.07552	2.8
225.05460	1.9
231.04446	0.5
233.05939	1.6
239.06995	5.9
248.04662	0.5
249.05449	33.2
250.05980	1.6
251.07025	3.2
253.04820	1.0
259.03973	1.4
261.05511	0.6
266.05722	0.7
267.06497	7.9
269.08060	1.1
277.04935	18.5
278.05441	1.3
279.06470	5.0
281.04349	0.8
295.05966	50.8
296.06342	1.9
297.07581	0.9
305.04398	4.8
313.06955	2.1
323.05450	100.0
324.05835	2.7
341.06583	1.1
497.10696	10.4
500.52469	0.5
515.11450	0.7
515.24426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83245	0.4
53.03940	0.7
55.01864	0.5
55.05497	0.7
65.03920	0.5
66.47236	0.4
67.05482	1.0
69.03419	4.1
69.07052	1.1
70.06572	0.4
71.04967	0.8
79.05475	0.5
81.03401	2.2
81.07053	0.9
83.04958	1.9
85.02892	8.0
86.09665	0.4
91.05444	0.8
93.03417	0.4
95.04938	1.8
95.08596	0.7
97.02868	2.9
98.20733	1.0
99.04412	0.9
99.86652	0.4
107.04897	0.4
107.08590	0.6
109.02856	3.4
109.06486	0.5
111.04406	2.7
115.03889	0.8
118.06530	1.3
119.08556	0.6
121.02835	0.7
121.10121	0.8
123.04412	2.7
123.08008	0.6
127.03907	2.5
129.05466	0.5
131.08549	1.5
133.02824	1.2
133.10080	1.2
133.92630	0.5
134.03593	0.5
135.04350	0.9
135.08028	1.3
136.07520	0.9
137.02266	0.6
139.03876	1.0
141.06905	0.5
144.08043	2.1
145.04973	2.0
145.10080	0.7
146.05969	3.6
151.03865	0.9
151.97531	0.4
155.08487	0.4
157.04889	0.5
159.04326	0.4
161.02298	0.8
162.03075	0.6
163.03874	6.6
165.05591	0.8
165.06960	6.3
169.06438	0.5
173.02345	3.3
173.05577	0.4
173.13235	5.2
175.03810	0.4
175.14761	0.7
177.06970	1.3
181.06499	0.7
183.07957	0.7
187.03835	2.0
191.14276	13.9
193.06442	6.6
195.08003	0.6
197.05890	1.2
203.05029	0.6
205.06413	2.0
211.07527	2.5
218.09540	0.4
219.11264	0.4
221.05933	22.0
222.06473	0.7
223.07553	1.9
225.05423	1.2
231.04584	0.6
233.05859	1.9
237.05203	0.5
239.06961	5.8
241.20160	0.4
247.10699	1.3
249.05435	30.1
250.06053	1.5
251.06895	1.9
253.04849	1.0
259.03870	1.3
261.05536	0.4
264.10126	1.8
266.05615	0.9
267.06482	7.1
277.04901	18.8
278.05536	1.5
279.06448	5.0
281.04468	1.0
294.05276	0.5
295.05960	44.5
296.06284	1.2
297.07761	0.7
305.04382	5.2
313.07068	0.8
323.05444	100.0
324.05621	2.5
335.18625	0.8
341.06403	2.0
353.13284	0.7
360.37479	0.5
497.10684	6.5
498.17661	2.3
515.12384	0.6
515.18884	0.8
515.25446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01840	0.6
55.05491	0.6
60.48760	0.5
63.44002	0.5
65.03912	1.6
67.05480	1.3
69.03412	1.4
69.07035	0.7
69.72182	1.5
69.72609	2.3
70.06570	1.2
83.04968	3.1
85.02887	1.7
86.09680	1.0
91.05461	1.1
92.05795	0.7
93.03381	1.2
95.04948	2.0
97.02866	1.9
107.04916	0.7
109.02828	1.1
111.04408	3.4
112.69650	0.5
117.97424	0.6
118.50494	0.5
121.02827	3.5
123.04409	3.6
127.03868	0.6
129.05450	0.7
131.04851	1.4
133.02832	1.9
134.03618	0.7
135.04356	1.6
136.05217	0.6
137.02284	2.1
139.03862	2.5
145.02835	1.1
145.04971	0.6
147.04376	1.4
151.03874	1.2
153.07024	1.2
155.08575	0.6
159.04434	0.6
161.02373	1.1
162.03194	0.5
163.03891	9.3
165.06953	5.3
167.08527	0.5
169.06462	2.1
173.02322	5.3
175.03786	0.6
177.06978	1.3
181.06456	1.9
187.03891	3.4
191.14380	2.9
193.06450	6.7
195.08031	0.9
197.05965	3.3
203.04987	0.7
205.06479	3.4
211.07445	2.8
213.01910	0.6
215.06985	1.3
221.05925	23.6
222.06395	0.7
223.07539	3.4
225.05414	2.9
231.02834	1.7
233.05963	1.7
239.06947	6.5
243.06442	0.7
249.05431	28.1
250.06087	1.6
251.06975	3.2
253.04948	1.6
259.03888	1.4
267.06445	7.2
269.08069	1.2
271.05972	2.5
277.04916	15.2
278.05591	1.0
279.06400	4.4
281.04440	2.1
285.03479	0.5
285.07562	1.3
295.05963	50.5
296.06357	1.4
296.84369	0.5
297.07474	3.0
299.05463	1.9
305.04449	3.4
313.07089	3.2
323.05441	100.0
324.05670	2.7
341.06506	6.7
347.07446	0.5
434.29642	0.6
479.09592	1.2
486.94373	0.6
497.10892	1.2
515.11493	0.7
515.20642	1.8
531.85742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.4
57.07068	14.9
59.04977	0.7
61.13128	0.6
65.03938	0.6
67.05494	5.6
67.18920	0.6
69.07056	3.5
70.06569	0.9
71.08618	21.1
71.29381	1.4
77.94283	0.6
79.05468	2.2
81.07044	13.6
83.08594	0.9
84.82091	0.7
85.10171	11.5
88.07594	1.2
91.05463	1.4
93.07050	1.4
95.04970	0.6
95.08590	15.5
102.09129	1.4
105.07014	20.3
106.07321	0.9
107.08572	0.7
109.10190	0.7
119.08498	0.9
129.06912	0.6
132.08034	0.8
137.13229	1.8
143.08546	0.7
155.14244	5.3
160.11176	4.1
188.10657	12.9
195.47765	0.6
203.47029	0.7
256.26239	1.3
257.26624	2.0
258.26834	0.7
283.26358	0.8
284.26587	1.7
285.27014	0.7
314.24802	2.5
342.24216	100.0
343.24701	3.3
360.25919	1.0
361.30914	1.0
478.37054	0.8
496.37714	2.0
514.35443	1.9
514.51208	10.2
526.31885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3047
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03930	3.1
54.10826	2.1
55.05503	10.3
57.03422	5.6
57.07055	7.3
61.02908	7.9
65.03931	3.0
67.05492	22.7
69.03416	4.8
69.07058	11.5
71.04963	2.6
71.81129	2.9
72.18079	2.1
73.02892	5.2
79.05479	33.6
81.03386	3.2
81.06606	2.4
81.07048	27.7
83.04993	1.9
83.08596	5.9
83.54480	2.0
85.02906	11.1
85.06510	2.9
85.49309	2.0
88.32278	2.2
91.03962	3.7
91.05472	25.2
93.06491	3.2
93.07033	39.8
95.04953	5.9
95.08588	25.9
97.02880	6.4
99.08077	3.5
105.03379	6.5
105.07001	29.9
107.08578	23.1
109.06502	2.3
109.10137	8.9
117.06993	8.5
119.08567	21.5
121.10148	19.1
121.29976	2.1
123.11712	2.8
126.12204	2.0
129.06967	6.6
131.08557	13.2
133.10117	25.0
135.11665	21.8
136.71822	1.9
137.02290	4.2
143.08514	7.7
145.10097	12.8
147.11674	20.5
149.13226	16.1
151.03848	10.0
153.01796	5.7
155.08606	2.7
157.10086	4.5
159.11681	13.4
160.06111	2.1
161.05942	2.7
161.13220	17.2
163.14845	4.7
166.17242	2.2
171.11671	6.9
173.13231	6.6
175.11212	4.3
175.14803	13.2
177.12854	2.8
185.13203	7.9
187.14767	4.0
189.12694	2.5
199.14709	3.6
199.34404	2.0
205.05168	2.2
217.19443	2.5
231.21049	5.8
241.19496	22.8
251.65028	2.5
259.20560	49.0
277.21652	6.9
321.21906	2.2
327.05011	13.9
333.24179	11.0
349.24036	2.9
351.20987	5.4
351.25262	100.0
430.25128	2.7
441.26129	7.7
459.27542	3.2
477.28525	4.3
495.20004	3.0
495.29477	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	2.0
57.07014	11.5
67.05497	4.0
68.99788	1.8
69.07051	2.5
69.29749	0.4
70.40512	1.9
71.08617	4.5
79.05415	0.7
81.07036	3.4
83.08532	1.2
85.10171	3.8
91.05390	1.0
91.17928	0.4
93.06970	0.5
95.08590	8.7
97.10080	0.3
98.28147	0.5
103.05398	0.4
105.03336	0.5
109.10120	2.4
111.00784	2.4
111.24380	0.4
123.04323	0.5
131.04906	0.5
137.02269	1.2
139.03783	0.4
139.63306	0.3
145.02736	0.4
147.04321	1.6
153.01799	19.5
153.03049	1.0
154.02098	0.5
155.08531	0.4
157.02933	0.4
157.06433	0.5
159.04311	0.7
160.92825	0.4
161.02274	1.5
161.05919	0.8
163.03810	1.7
164.13098	0.4
165.01753	1.8
169.15816	1.4
173.02328	0.8
173.05930	0.4
175.03793	0.9
183.02838	0.9
183.04248	0.8
185.05983	0.6
187.03845	1.9
189.05522	0.5
191.03342	1.2
197.05945	1.2
201.05376	0.7
203.03348	2.0
211.07721	0.4
213.05420	0.8
215.03305	1.6
217.04906	1.0
219.02757	0.8
225.05408	1.0
229.04855	1.1
237.05322	1.1
241.04956	0.6
242.05655	0.9
243.02803	1.4
243.06522	1.4
252.04050	0.9
253.04907	8.2
257.04306	0.9
259.05969	0.5
265.04877	1.3
269.04462	1.6
270.05179	1.4
271.05920	1.2
281.04419	16.5
281.07568	0.8
282.05072	0.5
285.03915	2.7
291.06708	0.4
293.04395	0.7
295.06021	0.9
297.03848	2.3
298.04645	10.7
299.05463	9.1
309.03906	4.4
311.05420	8.0
313.03397	2.6
315.04965	1.1
323.05408	1.6
326.04196	0.7
327.04938	100.0
328.05350	2.4
339.04935	0.9
341.06332	0.6
341.17392	0.9
343.04303	0.7
345.06070	4.1
365.06641	0.5
431.46393	0.5
449.19275	0.5
463.17599	0.5
467.20584	6.5
477.19070	3.6
495.20126	56.3
496.20718	1.3
513.16925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
57.07064	11.4
58.06558	1.0
67.05463	1.0
69.07056	1.7
70.06575	9.4
71.08614	6.3
71.59605	0.3
71.59959	0.6
72.08103	0.3
73.02873	0.8
79.05441	0.3
81.07040	1.2
83.08611	1.8
85.10168	2.3
85.66692	0.3
87.04394	0.3
88.07612	13.4
88.08153	0.6
89.05994	0.4
94.99894	0.3
95.08585	2.3
96.19003	0.2
97.10106	0.9
102.08491	0.5
102.09158	9.7
106.08622	0.6
109.10090	0.9
133.08539	0.3
215.16121	0.3
217.65579	0.2
228.23212	3.4
246.24231	0.3
256.26306	32.8
274.27307	2.9
283.26263	34.7
284.26614	0.5
307.25415	0.3
311.29419	3.1
337.70593	0.3
512.50299	100.0
513.35742	0.3
513.50439	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93608	0.3
55.05447	2.6
57.03387	0.3
57.07010	10.2
57.07312	0.6
60.35999	0.3
67.01798	0.4
67.05492	4.8
68.99789	1.7
69.03352	0.4
69.07001	2.2
71.08620	4.3
71.78974	0.7
73.36391	0.3
79.05416	0.9
81.07040	4.8
83.08601	2.0
85.10172	3.4
91.03883	0.3
91.05404	1.1
93.06964	1.0
95.04901	0.3
95.08589	8.6
97.02811	0.4
103.15417	0.3
105.03340	0.5
105.06974	0.8
107.08480	1.0
109.02820	0.5
109.10149	2.3
110.28523	0.3
111.00794	2.3
119.08524	0.6
124.08304	0.3
131.08478	0.7
133.10112	0.4
135.11633	0.5
137.02232	0.9
139.03813	0.5
141.06903	0.4
143.08446	0.4
145.02844	0.5
145.10161	0.4
147.04323	1.5
147.11580	0.6
151.03911	1.7
151.04854	0.3
153.01801	17.8
157.02788	0.5
157.06421	0.5
159.04358	0.5
159.11659	0.3
159.20543	0.3
161.02328	1.9
161.05942	0.8
161.13152	0.3
163.03801	1.1
165.01776	1.7
169.06442	0.8
169.15845	2.4
170.02155	0.3
173.02281	1.1
175.03828	1.0
183.02837	0.5
183.04341	0.5
185.05867	0.9
187.03857	1.9
189.05431	0.7
191.03268	0.5
194.49594	0.3
197.05904	1.1
199.03804	0.5
201.05312	0.7
203.03409	1.7
207.92737	0.3
211.03822	0.3
213.05409	0.5
215.03293	1.5
215.06931	0.4
217.04915	0.8
219.02827	0.8
225.05382	1.2
229.04938	1.1
236.30879	0.3
237.05289	0.9
239.03502	0.4
241.04993	0.3
242.05737	0.9
243.02812	1.3
243.06497	0.6
252.04123	0.6
253.04955	8.1
257.04333	0.7
259.06006	0.4
259.20422	0.9
265.04840	2.0
269.04333	1.7
270.05237	1.2
271.05994	1.5
281.04401	14.4
285.03824	3.2
293.04376	0.7
295.05862	0.9
297.03888	2.0
298.04639	9.3
299.05493	6.9
309.03876	3.3
310.04581	0.4
311.05423	7.1
313.03470	2.5
315.04984	0.9
323.05399	1.4
327.04938	100.0
328.05316	2.0
336.54099	0.4
339.05008	0.4
341.06488	0.6
341.17432	0.6
343.04700	0.5
345.06046	3.7
351.25369	1.6
434.96680	0.4
449.19858	0.9
467.20670	5.4
477.18994	3.4
495.20132	49.0
496.20294	1.1
513.21216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01850	1.0
55.05505	4.1
55.42592	0.7
56.05023	5.1
57.03423	2.0
58.06577	1.2
59.04985	0.9
60.04516	100.0
60.05638	2.1
61.02903	3.4
65.03940	0.7
67.05499	9.4
69.03423	7.9
69.07058	4.7
70.01861	4.6
70.06580	3.1
71.04979	2.4
72.04497	2.4
72.08157	0.8
74.06065	4.5
79.05471	4.7
80.04997	1.9
81.03416	4.2
81.07040	12.0
82.06547	2.1
83.04959	1.4
83.08606	2.2
84.04500	1.4
84.08116	0.9
85.02368	1.0
85.02892	20.2
85.06556	1.0
86.06054	2.1
86.09680	1.4
90.05554	1.6
91.05450	3.5
93.07020	6.8
94.06525	1.3
95.04948	1.2
95.08585	10.8
96.08092	1.0
97.02875	8.1
97.10174	0.8
99.04426	3.0
100.11242	1.2
102.05519	1.9
103.03933	1.4
104.07108	1.9
105.07023	3.5
107.08583	6.5
109.02871	2.9
109.06525	1.1
109.10121	4.6
112.07578	1.6
119.08572	1.4
120.08089	1.3
121.02911	0.7
121.10120	4.2
122.08533	0.9
123.08052	3.0
123.11718	2.2
124.03973	0.9
127.03873	5.6
127.11165	0.8
131.08583	1.1
133.10120	2.2
135.11694	4.3
137.09599	0.7
145.04948	2.8
145.10229	0.9
147.11678	1.9
149.09613	1.7
149.13190	1.3
153.12749	3.5
159.07991	0.8
159.11705	0.9
161.13174	1.4
166.65388	0.8
171.13788	2.1
189.12776	2.5
196.59900	0.8
206.10120	1.0
207.13791	7.3
216.45663	1.0
224.11153	1.2
246.14920	1.3
248.23796	1.5
260.23813	2.5
266.24768	2.9
278.24689	11.0
295.05936	1.0
296.25763	9.3
314.26797	10.4
325.07211	1.2
332.27899	19.6
333.28165	1.0
350.28937	75.5
351.29349	2.1
358.22665	0.9
392.29630	1.4
411.10437	0.8
417.29538	0.9
453.34326	2.0
458.31375	0.9
473.46893	0.8
476.32071	1.0
487.00067	0.8
494.33276	5.7
512.34210	93.4
513.19641	1.2
513.34106	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	512.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.3
57.07055	6.3
67.05486	4.7
68.75913	1.5
69.03400	1.6
69.07051	5.5
70.06597	3.6
71.08616	5.1
71.81320	3.3
79.05470	1.7
81.07032	4.6
82.34378	1.5
85.02887	4.8
91.05455	1.6
95.08592	5.6
105.03381	5.9
107.08575	2.8
121.02824	2.0
129.07042	2.0
133.06459	3.6
135.08005	2.3
151.07472	3.2
157.06537	3.8
161.06007	2.1
171.04401	7.4
173.05984	7.4
174.06720	2.0
175.07553	7.7
181.04932	4.2
184.05190	7.0
185.05946	11.4
189.05505	4.2
199.07397	2.2
203.07013	7.3
213.69380	1.6
217.08624	2.2
297.18439	39.9
311.05566	2.3
315.19504	100.0
316.19739	1.8
327.04852	3.4
333.20547	94.7
341.06619	5.0
429.06891	1.7
441.78479	1.8
495.19952	4.0
511.82858	2.2
512.50037	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	511.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.2
53.28677	2.5
55.01870	12.9
55.05501	38.3
57.03422	19.1
65.03934	5.4
66.33801	2.8
67.05494	92.0
69.03413	8.8
69.07053	31.7
71.01347	3.0
71.04994	15.3
71.78945	3.2
71.79338	4.3
73.02885	4.9
77.03896	3.4
79.05480	82.9
81.03404	91.7
81.03869	5.8
81.07042	87.1
83.04963	54.0
83.08607	43.2
85.02898	34.3
85.06546	7.5
91.05462	74.0
93.07035	74.5
95.04951	55.6
95.06062	4.7
95.08588	40.0
97.02895	11.3
97.06508	23.3
97.10159	17.4
98.56264	2.5
99.04439	9.4
99.08079	5.3
101.02352	3.7
105.03376	18.7
105.07013	45.4
107.04942	40.7
107.08571	41.9
109.02897	3.4
109.06467	12.7
109.10141	23.3
110.07168	3.0
111.04430	47.4
111.08063	21.3
113.05981	4.8
115.05465	3.4
117.06986	20.0
119.08562	44.7
120.08094	9.1
121.02851	7.9
121.06501	11.0
121.10123	53.4
122.10522	2.7
123.04476	8.3
123.08067	7.8
123.11698	5.6
125.05990	5.5
125.09628	10.0
125.31274	2.7
127.03915	3.4
129.05498	2.5
129.06993	19.4
130.06551	4.5
131.04936	6.6
131.08542	30.8
133.06464	5.1
133.10098	21.3
135.04390	5.0
135.08022	12.4
135.11659	31.7
137.02345	9.0
137.05952	5.9
137.09590	7.0
139.11171	6.2
142.07797	3.9
143.08557	6.3
145.06456	5.8
145.10123	30.2
147.08063	9.6
147.11671	23.9
149.09599	17.7
151.07523	3.0
151.11169	5.9
153.09100	3.9
153.12741	17.2
155.08560	9.4
157.10120	16.5
159.11720	6.4
163.11154	40.5
165.12747	6.4
167.07053	3.4
173.09608	18.4
175.11162	20.4
177.05466	2.5
181.12233	24.4
189.11159	5.8
189.12732	3.3
191.10625	30.7
193.12210	59.2
205.08531	2.5
209.11693	48.2
211.13255	92.7
227.12732	37.6
227.20178	3.7
228.20459	3.4
229.14351	6.5
231.13773	3.8
235.13315	7.5
243.67551	2.7
249.14902	5.7
255.02930	8.3
256.09644	4.9
259.15436	7.5
265.14313	47.8
267.15884	27.2
283.15344	48.3
285.16986	10.8
301.16437	11.2
309.17035	6.9
336.82697	3.0
349.23563	3.6
353.74918	2.5
355.22485	4.6
365.21280	2.9
374.10236	4.9
383.22141	7.8
401.23135	12.4
419.24277	7.5
449.20166	3.2
457.25925	6.1
475.26859	22.0
487.60187	3.0
493.28046	57.4
494.28479	3.9
511.28986	100.0
512.29474	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	510.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
53.50359	2.9
55.01854	2.5
55.05501	24.2
57.03423	16.0
57.07063	8.7
65.20045	2.3
67.05495	55.9
69.03393	3.4
69.07057	26.3
69.67379	15.6
69.67796	5.3
71.04977	5.1
71.08607	8.9
79.05076	3.3
79.05486	32.9
80.80693	2.1
81.03436	3.5
81.06590	4.4
81.07043	66.4
83.04994	6.5
83.08620	14.0
85.06532	6.0
85.10184	4.4
87.04453	3.7
91.05469	36.6
93.07034	35.2
95.04945	10.7
95.08590	45.3
97.06516	12.3
97.10157	7.4
98.20761	5.0
99.08056	2.9
105.07020	34.8
107.04916	6.1
107.08569	22.4
109.06510	4.9
109.10143	25.4
111.08067	7.5
117.07007	11.5
119.08572	29.1
121.06458	6.0
121.10111	13.8
123.08047	9.4
123.11670	4.4
125.09624	3.0
129.07005	6.0
131.08562	15.7
133.10120	30.8
135.08022	7.2
135.11682	25.2
137.09602	8.7
145.10114	13.8
147.11681	16.4
149.09596	17.0
149.13196	12.9
151.11150	3.8
157.10065	3.6
159.11671	14.5
161.13310	4.1
163.11139	8.6
171.11745	5.6
173.13223	6.9
177.12671	5.9
180.20818	2.3
181.12199	27.9
183.17421	30.6
193.12137	3.6
195.13773	26.8
199.13251	10.9
206.09866	2.7
213.14867	7.1
217.15910	4.3
229.19548	2.9
235.16772	4.6
239.17863	6.3
247.20583	5.1
256.26169	2.6
257.19006	13.0
275.20038	100.0
293.20972	12.6
317.76083	2.6
340.19171	4.0
416.79913	2.8
428.05209	2.8
457.36469	6.9
510.35052	11.6
510.48846	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3536
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.79294	0.3
55.05488	0.7
56.05023	1.1
57.03423	0.8
57.06788	0.3
57.07066	6.3
58.06596	0.9
59.07358	0.3
59.14213	0.2
60.08152	14.9
67.05484	1.7
68.48497	0.3
69.07053	1.1
70.06590	0.3
70.40864	0.3
70.86950	0.3
70.87265	0.5
71.07361	6.1
71.08615	4.2
74.09692	0.3
75.04485	0.3
81.07039	2.8
83.08611	1.3
85.02894	0.4
85.10183	2.4
86.09689	45.7
93.07017	0.4
95.08591	3.5
97.10160	0.7
98.98446	3.1
104.10722	100.0
105.11059	1.0
107.08495	0.3
108.23615	0.3
109.10137	1.3
123.11673	0.3
124.99978	26.0
137.13228	0.3
143.01035	0.5
163.01529	0.6
184.07309	96.0
185.07617	0.7
239.23660	1.7
257.24710	0.5
258.11014	0.8
269.02011	0.3
313.27289	8.2
327.28946	1.9
331.28427	1.6
338.27811	0.4
349.27573	0.4
433.27405	0.4
492.34375	9.4
493.34863	0.4
510.35471	43.3
511.35782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
53.52038	0.6
55.01866	1.3
55.05502	3.2
56.05028	3.8
57.03420	2.5
58.06596	0.6
59.05001	0.7
60.04514	100.0
61.02909	1.9
65.03919	1.0
65.65012	0.5
67.05489	11.3
67.67933	0.5
67.76600	0.7
68.05010	1.0
69.03414	8.6
69.07053	3.2
70.06583	2.4
70.39851	1.2
70.40266	1.9
71.04989	2.9
71.05343	0.6
72.04494	3.0
73.02901	1.8
74.06074	3.7
79.05480	9.6
80.05005	1.9
81.03400	4.6
81.07038	11.8
81.08984	0.6
82.06577	1.7
83.04970	1.6
83.08619	2.2
84.04491	2.3
84.08146	0.7
85.02886	21.0
85.06547	0.8
86.06031	3.4
87.04453	0.8
90.05561	1.1
91.03959	0.9
91.05463	8.9
91.79487	0.5
93.06475	1.2
93.07025	11.8
93.07563	0.9
94.06532	1.5
94.72987	0.5
95.04963	2.6
95.08591	10.3
96.08112	1.3
97.02879	6.6
97.06520	1.3
98.06031	0.6
98.20766	0.9
99.04460	3.2
99.08061	1.1
100.31793	0.6
102.05530	1.7
103.03916	4.8
104.07076	1.9
105.07013	6.8
106.02937	1.3
106.06526	0.7
107.08569	6.9
109.02875	4.0
109.06525	1.3
109.10130	5.4
111.04426	1.3
112.07602	1.9
112.24078	0.6
116.07102	1.2
117.07001	1.9
119.04858	0.5
119.08549	3.1
120.08112	1.0
121.06483	1.0
121.10114	4.5
122.09715	0.9
123.08042	1.4
123.11678	2.9
124.03925	3.1
127.03896	9.0
129.06966	1.0
131.08560	2.7
133.10088	4.3
134.09683	1.2
135.11655	3.8
137.13263	1.0
139.11389	0.7
140.07080	0.6
143.08539	0.7
145.04950	4.7
145.10104	1.9
147.11681	2.8
149.09688	0.6
149.13277	1.6
151.11179	1.6
157.10109	1.0
159.11697	1.9
161.13232	1.8
163.05995	3.3
169.12282	1.6
171.11626	0.9
173.13254	1.0
175.14841	0.7
186.07623	0.6
187.14931	0.7
188.09157	0.6
203.17863	0.9
206.10324	1.4
217.19440	1.0
217.73105	0.7
224.11313	2.3
245.41008	0.7
258.22092	0.8
264.23337	0.8
268.08081	1.3
276.23264	3.7
283.09549	1.7
286.09277	1.4
294.24243	4.9
309.07648	0.8
312.25253	7.2
326.21115	0.7
330.26312	26.6
331.26175	0.8
337.03287	2.4
337.07025	0.7
348.27383	79.3
349.27707	1.6
372.27756	0.7
390.28439	1.4
438.28677	0.9
456.29407	1.7
474.30090	1.4
492.18344	0.7
492.31644	10.1
510.32654	88.1
511.33130	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01880	1.5
55.05500	3.2
56.05029	3.6
57.03431	2.3
58.06628	0.7
60.04516	100.0
61.02915	2.2
65.03922	1.1
66.64631	0.6
67.05493	11.9
68.05011	1.6
68.24524	0.7
69.03414	8.6
69.07059	3.4
70.02931	0.8
70.06576	2.2
70.91261	1.4
70.91624	1.5
71.04974	1.8
72.04509	3.6
73.02901	0.9
74.06071	3.5
79.05480	9.1
80.04978	1.6
81.03398	4.2
81.07041	13.0
82.06575	3.1
83.04974	1.7
83.08615	1.9
83.51613	0.7
84.04499	1.5
85.02893	19.8
85.06520	0.7
86.06063	2.4
87.04446	1.2
90.05556	1.7
91.03960	1.0
91.05468	8.1
93.07029	11.5
94.06570	2.7
95.04964	2.4
95.08583	10.4
96.08115	1.1
97.02882	6.5
97.06527	1.3
97.58872	0.6
98.06045	1.5
99.04466	3.1
102.05543	2.4
103.03928	3.2
104.07088	2.4
105.04549	0.7
105.07003	6.0
107.08550	6.0
108.08102	0.7
109.02910	2.6
109.10127	4.8
112.07574	1.7
116.07088	1.2
117.07003	1.6
119.08567	3.7
120.07968	0.8
121.10139	5.2
123.08070	0.8
123.11700	2.5
124.03944	1.4
127.03893	7.9
129.06998	1.3
131.08568	3.4
133.10095	4.8
134.09590	0.7
135.07930	0.8
135.11646	4.2
137.06020	0.8
137.13231	0.9
139.11270	0.8
145.04939	3.2
145.10086	3.2
147.11678	3.0
149.13242	1.4
157.10146	1.7
159.11702	2.0
161.13231	1.4
163.06035	2.5
163.14920	0.7
169.12268	0.7
171.11659	1.6
173.13243	1.2
188.09225	0.8
204.08588	0.7
206.10220	1.2
217.19484	0.9
224.11281	2.3
235.07349	0.7
241.19383	0.7
246.21942	0.7
263.03513	1.1
276.23187	3.4
294.24246	6.5
307.10141	0.9
309.07516	0.8
312.25388	6.2
330.26331	23.0
331.26740	0.9
337.03333	3.2
348.27399	81.6
349.27927	0.7
390.28400	1.3
438.28421	0.9
456.29373	1.8
474.30597	1.6
492.31635	9.1
510.32660	96.6
511.32870	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77326	1.0
53.03939	3.0
53.55973	1.1
55.01876	2.5
55.05499	2.5
56.05008	1.3
57.03420	5.2
59.04988	9.0
60.04512	12.2
61.02913	6.4
64.25796	1.2
67.05496	7.1
69.03419	15.3
69.07053	5.0
70.06566	2.7
71.04980	18.3
71.78564	1.8
73.02908	4.0
78.50112	1.1
79.05483	10.2
80.17890	1.0
81.03414	7.9
81.07043	43.7
81.07526	2.2
83.04964	2.3
84.48279	1.1
85.02889	81.2
87.04423	1.6
90.96422	1.1
91.03976	2.9
91.05450	6.9
93.07028	17.9
95.04935	3.8
95.08577	4.1
97.02880	21.4
97.06528	1.5
99.04439	10.6
103.03921	15.3
105.07020	4.1
107.08573	14.4
109.02867	9.3
109.06525	9.4
109.10136	21.9
111.08089	7.3
112.07587	2.4
117.06947	1.6
119.08558	1.8
121.10133	1.3
123.08073	1.7
123.11681	31.7
127.03895	33.4
131.08575	1.6
133.10098	15.2
135.11687	2.2
137.06018	1.8
145.04936	32.3
151.11151	100.0
153.12703	3.2
163.05988	21.4
169.12216	57.4
178.04993	2.5
187.13248	2.9
206.04489	4.5
259.13449	1.2
268.07947	1.5
289.09244	2.5
294.24747	1.4
295.15308	2.9
301.19373	1.3
307.10065	3.8
312.25357	2.0
313.16309	7.3
325.11279	5.6
327.05756	1.3
330.26416	3.9
331.17480	16.1
348.27313	8.9
492.31738	3.3
510.25607	2.4
510.32587	12.8
511.24326	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
55.05493	1.3
56.05015	0.5
57.03419	0.5
57.07063	3.2
59.76205	0.5
61.02906	0.4
65.58360	0.5
67.05496	3.8
68.05016	6.4
69.03406	0.8
69.04529	1.2
69.07050	2.4
71.08624	3.6
71.79183	0.8
73.02920	0.7
76.04638	0.5
79.05473	2.4
80.05005	0.6
81.03400	1.9
81.04524	4.9
81.07035	3.8
82.05304	4.4
83.04977	1.0
83.06089	5.5
83.08620	0.9
85.02883	1.5
85.10159	2.0
87.04444	0.6
91.05455	2.1
93.03345	0.5
93.04494	2.2
93.07034	2.1
94.05298	1.8
95.06073	100.0
95.08584	3.1
96.06872	0.6
97.02909	0.5
97.06513	1.1
97.10160	0.8
98.06056	0.8
105.03365	1.7
105.07020	1.6
107.04955	1.0
107.05988	0.5
107.08573	1.4
109.06403	2.7
109.10142	1.4
110.07148	18.4
111.04408	0.7
111.05545	1.4
111.08094	0.7
111.09172	0.5
112.08705	2.0
117.07005	0.5
119.06052	0.8
119.08562	1.1
120.05559	1.8
121.02870	1.1
121.03893	0.8
121.06462	1.1
121.07645	0.6
121.10122	1.1
122.06182	0.7
122.07126	8.3
124.08658	1.4
128.03448	0.6
131.08569	0.5
133.10077	0.9
134.06020	0.5
134.07108	1.5
135.07967	0.6
135.11667	0.7
136.05025	0.7
136.08658	2.1
137.09511	0.6
137.13260	0.5
138.10239	38.2
139.03867	0.5
140.03352	0.7
145.04968	0.6
146.07101	1.3
147.05562	0.7
148.08652	4.7
149.07013	0.6
150.10225	0.5
155.14232	0.7
156.07668	4.8
158.07109	0.6
160.08685	1.3
164.08179	2.1
164.53024	0.5
166.04974	0.6
166.09608	0.5
173.09621	0.5
174.06607	2.9
175.07436	1.1
176.08162	13.9
178.09685	2.4
178.37068	0.5
179.10464	0.8
182.09207	0.8
184.07338	0.6
188.08279	0.7
190.09740	0.6
191.06726	0.6
192.07709	0.7
193.08478	0.8
193.12189	0.7
194.09251	3.4
202.06061	3.0
202.09831	0.8
204.07646	6.2
205.25880	0.5
206.09195	0.6
209.11739	0.9
210.12041	0.7
210.18382	0.5
212.08231	1.3
214.09720	0.8
220.07185	1.9
222.08670	1.4
227.12845	0.5
228.13127	0.6
230.09200	1.6
232.10854	0.7
234.08665	1.1
248.10349	0.6
249.14685	0.6
256.06912	0.6
258.08682	6.7
263.21252	0.5
274.08173	1.2
276.09778	3.0
282.16995	4.8
284.15817	0.5
292.09329	0.6
292.23770	24.1
294.10794	6.2
302.07639	4.7
302.22232	1.0
317.02844	0.6
318.21774	0.7
320.08682	2.0
328.19971	0.5
330.21655	10.2
336.18851	0.9
336.22754	21.6
346.21338	3.1
347.22003	1.8
348.22775	9.5
358.21213	4.0
368.22903	0.5
374.20648	3.7
374.30652	0.5
376.22266	6.7
386.24185	0.7
390.20148	1.9
391.20905	3.5
392.21704	7.6
402.20212	2.2
412.22342	1.1
420.20319	1.0
420.25623	2.9
430.23218	3.0
446.22937	1.1
448.24347	20.3
456.21378	1.9
464.23776	2.0
474.22214	6.2
492.23196	11.1
492.30151	0.8
499.93036	0.5
510.28455	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	509.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93534	3.9
55.01860	18.4
55.05503	51.7
57.03422	16.9
57.27319	4.2
59.04988	3.9
67.05491	77.9
69.03430	8.2
69.07055	26.7
71.04978	20.0
79.05476	93.6
80.92747	3.9
81.03400	34.7
81.07037	72.4
83.04966	19.9
83.08609	36.2
85.06499	8.0
91.05452	61.1
92.64301	3.8
93.07020	68.6
95.04945	51.3
95.08587	35.4
97.02876	5.9
97.06521	19.1
97.10139	41.6
97.10600	3.9
103.05423	5.1
105.03353	14.8
105.07016	45.0
107.04917	48.6
107.08563	41.5
109.06482	34.5
109.10157	17.5
111.04436	13.6
111.08113	8.9
113.76112	4.0
115.05455	4.9
117.06990	21.9
119.08537	26.6
121.02847	17.2
121.06475	30.7
121.10109	39.4
123.04395	5.9
123.08047	14.8
123.11720	9.7
125.09607	37.9
128.06258	4.4
129.06978	20.2
131.08525	37.8
133.06470	12.4
133.10086	18.0
135.04295	5.5
135.08011	23.5
135.11681	12.3
137.09573	6.1
139.11172	5.3
143.08571	11.7
145.06445	18.8
145.10121	19.9
147.04387	5.5
147.08044	8.4
147.11658	12.7
149.06029	6.2
149.09583	15.0
153.09145	9.6
153.12712	12.1
157.10110	7.6
159.08008	8.5
159.11658	5.2
161.05896	4.8
161.09627	5.4
163.11108	20.7
167.10640	10.1
171.08008	5.3
173.09633	7.0
173.13286	8.1
175.11270	6.7
187.11154	6.1
189.11220	22.6
191.10670	7.7
191.14302	9.0
193.12233	17.5
199.13239	8.8
209.09798	6.7
209.11594	30.0
211.11322	6.2
211.13287	13.8
213.12985	4.5
215.14388	5.5
219.13762	32.1
223.13303	10.7
225.14789	5.4
227.12721	32.1
233.15332	17.2
267.15894	6.5
273.14444	8.0
273.16971	13.4
275.16382	5.3
283.15305	10.7
287.05334	12.4
293.17444	19.6
302.04407	5.7
315.04727	9.8
339.23187	6.8
349.21683	17.5
355.79529	4.2
357.24234	7.1
367.22620	46.3
385.23633	70.8
403.24817	15.8
441.26245	16.9
459.27298	100.0
477.28345	62.4
491.29889	19.6
509.14090	15.5
509.27338	21.5
509.30521	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	509.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01841	0.8
55.05500	11.6
57.03436	5.6
57.07070	3.8
57.10130	0.6
65.03916	1.2
67.05491	35.7
69.07053	16.5
69.68298	6.1
71.04982	0.7
71.08604	2.5
78.05883	0.7
79.05477	10.0
81.03409	1.3
81.07040	35.4
83.04974	1.0
83.08604	7.6
84.04523	0.7
85.06538	0.9
85.10148	0.7
91.05463	7.1
93.07025	10.1
95.04953	1.3
95.08591	24.6
97.06506	1.9
97.10125	3.5
97.44582	0.6
98.98444	32.5
99.08017	0.8
105.07003	4.4
107.08569	5.0
109.10138	9.3
111.08051	0.9
113.57716	0.7
116.99484	0.7
119.08577	3.8
121.06474	1.3
121.10110	6.2
123.11680	3.1
131.77167	0.6
133.10130	3.2
135.11682	3.1
137.13232	1.6
145.10046	0.9
147.11653	2.1
149.13234	1.6
151.14816	0.8
155.01001	14.3
161.13268	1.6
163.14786	1.7
173.01984	3.5
175.14789	2.0
177.16379	1.3
181.44409	0.6
210.18419	1.2
211.03661	1.1
211.13106	0.7
211.18736	1.0
229.04666	2.4
245.22589	2.8
247.05716	1.7
263.23621	4.9
267.06461	0.7
268.06848	1.4
319.26419	1.7
337.27298	100.0
338.27618	2.6
473.26563	6.9
509.27029	1.7
509.37576	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	509.274
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
51.02377	0.8
51.47921	0.6
53.00286	2.8
53.03944	4.1
53.04153	0.9
55.01865	5.6
55.05503	20.1
57.03436	5.6
57.07040	1.4
59.04982	2.9
65.03923	2.2
65.30296	0.8
67.05493	24.6
69.03423	3.5
69.07057	8.0
69.44720	9.0
71.01331	1.6
71.04980	3.7
73.02908	1.1
79.05482	22.5
81.03407	43.8
81.07043	33.5
81.07531	1.2
83.04965	10.1
83.08607	20.5
85.02895	17.7
85.06516	2.7
91.05468	36.9
91.77899	0.7
93.07030	21.2
95.04958	19.3
95.05566	1.0
95.08595	11.3
97.02879	5.3
97.06511	4.9
97.10153	5.5
99.00806	13.0
99.04482	1.6
99.08069	1.1
103.05438	2.9
103.98901	0.7
105.03374	3.1
105.07018	27.6
107.04933	8.4
107.08588	11.0
109.02847	7.8
109.06499	5.2
109.10153	6.8
111.04429	4.4
111.08076	9.1
111.11687	0.8
113.06001	2.8
115.03917	1.6
115.05424	1.7
117.07007	3.8
119.04916	0.9
119.08562	17.6
121.02854	1.6
121.06502	7.1
121.10119	7.5
123.04408	1.4
123.08064	1.8
123.11723	3.4
125.05946	1.1
125.09614	1.7
127.03896	2.2
128.06207	2.2
129.06982	6.9
131.08557	6.6
133.06468	3.3
133.10117	30.4
133.11134	1.7
135.08076	1.7
135.11650	2.9
137.05963	1.6
137.09590	2.8
139.07516	2.6
142.07761	1.2
143.08563	4.0
145.06477	1.3
145.10071	3.5
147.08038	2.4
147.11682	7.0
149.09587	4.7
151.07585	1.0
151.11160	8.8
157.10135	6.0
161.09595	13.2
163.11183	3.5
165.09076	0.9
165.12743	2.2
171.08020	2.9
173.09550	0.9
175.11159	9.3
179.10643	9.1
181.12303	0.8
184.60196	0.7
189.09076	6.6
189.10954	1.3
191.10616	1.1
193.12212	34.0
197.11729	2.7
207.10066	3.5
209.11743	3.3
211.13264	47.7
219.13783	1.9
225.11176	11.6
227.12772	2.9
243.12206	1.5
257.15594	0.7
267.15872	5.4
281.13873	3.5
283.15439	2.3
285.16882	1.4
293.28311	1.2
299.14908	3.9
378.41373	0.8
463.26846	1.1
473.25092	1.5
491.26221	8.0
509.27399	100.0
510.27408	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01871	15.4
55.05502	22.7
57.03428	11.8
59.04975	3.3
65.03931	2.5
67.05493	28.7
69.03410	3.1
69.07058	7.4
71.04978	6.2
71.06972	4.0
73.02911	1.7
78.27494	1.6
79.05484	30.5
81.03410	20.8
81.07047	31.7
83.01337	12.4
83.04976	18.9
83.08605	13.5
85.02884	8.6
85.06554	2.4
91.05466	27.7
93.07033	38.0
95.04958	15.6
95.08582	12.3
97.02896	5.0
97.06525	7.4
97.10148	3.6
99.04440	5.3
105.03393	10.9
105.07011	16.7
107.04952	22.3
107.08592	19.7
109.06493	13.3
109.10137	7.5
111.04418	13.9
111.08031	3.9
117.06990	12.6
119.04898	2.2
119.08572	13.8
121.02842	7.2
121.06488	5.2
121.10137	14.9
123.04418	2.5
123.08056	10.2
123.13687	1.5
125.05949	3.6
125.09628	4.3
129.06975	3.6
130.07790	2.7
131.08554	6.2
133.10123	5.3
135.04451	4.0
135.08060	4.3
135.11684	19.8
137.02335	1.7
137.05965	13.3
137.09592	2.7
138.06314	4.5
143.08499	3.0
145.06458	3.0
145.10114	20.4
147.08086	2.9
147.11716	1.6
149.09598	2.8
153.12758	11.0
155.08540	4.0
163.11160	46.8
173.09607	6.2
181.12196	13.6
189.11310	2.0
191.10628	12.2
203.07886	1.6
209.11685	17.2
227.12752	19.9
239.09430	1.8
265.14313	5.2
283.15372	100.0
367.22760	2.1
385.23685	2.5
398.96872	1.7
401.21613	3.3
437.25931	1.7
459.27518	3.8
491.26282	41.3
509.27130	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.1
55.01880	0.2
55.05503	0.3
57.07058	0.4
65.03922	2.0
66.29803	0.1
67.05490	0.3
68.99768	0.2
69.03403	0.2
69.07044	0.3
71.08610	0.2
79.05479	0.2
81.07033	0.4
91.05483	0.3
92.02610	0.2
93.03431	0.2
93.07015	0.3
94.41315	0.1
95.04918	0.2
95.08570	0.3
103.05466	0.2
105.03365	1.8
105.06989	0.3
109.02824	0.2
111.04414	2.2
119.04897	0.2
120.02040	0.6
120.08089	6.9
121.02843	100.0
122.03163	1.6
137.02370	0.2
146.05962	0.3
151.03987	0.2
153.01805	0.9
155.14317	0.2
160.03989	0.2
163.03847	1.1
172.83507	0.1
189.05489	0.2
238.08565	0.2
239.09274	0.6
240.10158	23.8
241.10400	0.8
253.04916	0.2
258.80188	0.1
265.05109	0.2
272.78354	0.1
280.05988	0.4
297.04111	0.2
298.04523	0.3
299.05478	0.2
306.04910	0.2
311.05319	0.3
327.04874	0.6
339.04791	0.2
399.13187	0.3
491.20654	1.0
509.16064	0.6
509.21591	1.2
509.34879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.01844	0.5
65.22029	0.3
67.01847	0.4
67.05457	0.8
68.99779	10.9
70.84483	0.9
71.04946	0.5
77.03894	0.3
79.05470	2.5
81.03381	0.3
81.07011	0.8
89.03867	0.9
91.05466	1.7
93.07005	0.9
95.04936	1.2
95.08561	0.4
103.05460	2.9
105.03369	7.1
105.04435	0.4
105.06324	0.4
105.07008	8.3
107.04922	0.8
111.00798	0.3
115.05438	2.8
117.03368	1.7
118.04158	1.3
119.04913	0.4
120.08080	2.4
121.02841	3.1
121.06469	3.8
123.04383	1.8
123.11709	0.4
131.04868	0.6
132.05664	0.3
133.02803	1.2
133.05518	0.4
133.06462	4.9
134.03584	1.5
135.04353	1.0
136.01471	0.3
137.02319	5.7
137.05913	0.6
139.00235	13.6
143.04877	0.3
146.03586	0.4
147.04279	0.4
149.05951	14.4
151.03880	8.5
153.01804	0.4
153.24667	0.2
157.01262	0.8
157.02696	0.3
161.05948	2.5
163.03847	1.4
167.07007	0.8
169.01306	1.0
175.03844	0.7
177.05447	3.8
178.06215	0.9
180.07784	0.7
183.64128	0.3
185.05873	0.3
193.04881	0.3
193.08545	1.9
194.09346	0.6
199.03801	0.6
202.02592	0.3
203.07013	0.4
209.08054	0.4
217.04898	1.0
235.05971	0.8
240.10126	1.2
241.04936	2.1
244.03618	0.6
245.04420	0.7
254.08070	2.6
255.08913	0.7
256.09674	2.6
257.04398	0.4
258.05255	0.5
259.05884	1.3
269.04419	0.4
270.11240	0.5
271.05914	0.5
272.03101	4.6
273.03680	0.4
274.04688	7.4
285.03882	0.4
286.04584	1.5
287.05453	47.3
288.05795	0.7
298.04785	0.4
299.05457	0.8
300.06110	0.7
301.03647	0.4
301.06970	6.2
302.04150	19.0
313.07144	0.9
315.04932	58.6
316.05609	2.5
317.06494	18.0
318.06921	0.4
326.04266	1.5
327.04993	1.0
327.08533	0.5
337.07098	0.4
341.06528	6.1
355.08008	0.4
356.12689	0.3
419.07642	0.4
433.09134	0.6
434.09888	0.3
451.10355	1.0
465.28348	0.4
477.11746	0.4
509.14368	100.0
510.14682	1.9
525.66364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98000	1.2
69.98415	2.3
70.15646	0.7
93.79967	0.6
94.92996	100.0
111.44328	0.6
112.59789	0.7
141.44093	0.6
166.91417	75.8
204.87041	1.5
347.22107	0.6
381.07858	27.0
381.12781	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03930	1.3
54.39440	0.3
54.49733	0.2
55.05503	1.5
57.02491	0.3
57.03415	0.4
57.07066	0.6
58.24977	0.3
63.46875	0.2
67.05495	6.0
68.05825	1.4
69.07056	1.2
69.53732	1.6
69.54160	0.9
70.07399	0.3
71.04967	0.4
71.08627	0.3
72.25124	0.2
79.05482	21.3
80.05814	0.5
81.07042	3.5
82.07374	0.9
83.08605	1.0
86.09682	0.3
91.05460	1.3
93.05727	0.3
93.07027	4.0
94.07355	0.5
95.04964	2.2
95.08600	2.1
96.08929	0.7
97.10159	0.9
98.10467	0.4
98.20699	0.5
99.08022	0.3
103.05450	57.9
104.05775	0.6
104.91904	0.2
105.04491	0.3
105.07017	3.3
106.06597	0.5
106.68352	0.3
107.04939	24.6
107.08577	1.2
107.85239	0.3
108.08909	0.5
109.10141	2.9
110.10475	0.9
117.06980	0.3
117.35131	0.3
119.05973	0.2
119.08558	1.0
120.08094	0.3
120.08907	0.3
121.06478	2.3
121.10125	1.0
122.06013	0.3
122.10429	0.6
123.11673	0.4
125.09608	0.5
131.04909	23.0
131.08472	0.6
132.05243	0.4
133.10098	0.7
134.10484	0.3
135.06792	0.9
135.11644	0.7
137.09622	0.3
144.08006	0.3
145.10097	0.7
147.11627	0.3
148.07564	0.8
148.12019	0.3
149.05930	1.6
149.13260	0.5
159.11674	0.7
164.15042	0.3
173.11711	0.6
174.12132	0.4
187.14801	0.3
189.00363	0.3
189.11201	0.4
206.19003	0.4
218.18965	0.5
227.12680	0.5
228.13025	0.4
229.14345	1.7
230.14688	1.7
234.18640	0.5
248.20061	4.6
260.20178	1.1
261.22144	0.7
262.22421	0.9
280.10828	0.3
318.25012	0.3
335.25775	0.4
336.25940	1.3
360.32553	41.5
361.32791	1.5
367.31931	0.6
381.36932	0.3
388.35910	0.6
416.32709	0.4
434.33585	0.5
472.35519	0.3
490.36209	3.8
508.37747	100.0
509.38068	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	508.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.83066	0.4
55.05491	1.0
57.07068	3.6
60.90371	0.4
67.05495	2.4
69.07053	2.2
71.08617	2.7
71.83018	0.6
79.05481	1.0
81.03388	0.8
81.07046	2.9
83.04943	0.7
83.08602	0.6
85.10152	1.0
91.05478	0.8
93.07016	1.3
95.04954	2.6
95.08580	1.7
105.07019	1.2
107.04920	0.6
107.08582	0.8
109.02861	1.8
109.06493	0.9
109.10149	0.5
118.83430	0.5
119.08550	0.8
121.06480	0.9
123.04388	1.5
125.05991	0.6
133.10078	0.7
137.05940	0.5
207.17418	1.4
212.46373	0.5
228.42659	0.4
235.16920	1.6
249.18523	1.8
354.22647	1.1
361.30957	100.0
362.31335	5.2
419.97098	0.5
508.39944	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.2
57.07041	1.9
59.81460	0.4
67.05495	2.6
68.05022	1.0
69.07026	1.5
70.15233	2.8
71.08614	2.8
76.67493	0.4
79.05465	1.2
81.07044	3.6
82.07395	0.6
83.04961	0.6
84.04460	2.1
85.10142	1.8
90.01414	0.4
91.05444	1.1
93.06994	1.8
95.04931	0.6
95.08593	2.7
98.06004	0.6
103.05389	0.5
105.06965	0.6
107.08488	0.5
109.10085	1.0
112.07582	1.1
114.32639	0.5
121.06468	3.7
133.73532	0.5
165.06995	0.5
173.13261	0.5
179.08432	0.6
181.10143	0.6
191.08505	2.2
192.17471	1.8
194.07210	1.2
195.08014	0.8
197.09624	0.5
205.06384	2.2
206.07243	0.7
207.08003	2.0
208.08810	1.1
209.06071	0.5
209.09590	2.7
210.06689	0.8
210.18488	22.4
219.07999	2.7
220.08713	1.7
221.05939	2.1
221.09555	0.7
222.06651	2.5
223.07524	1.4
224.08301	1.9
225.08969	4.0
233.05894	3.5
235.07578	2.5
236.08275	5.2
237.09056	26.3
238.06157	0.9
238.09531	0.8
238.17972	0.5
247.07524	2.1
248.08328	0.8
249.05363	2.7
249.09076	3.3
250.06200	1.1
251.06931	1.4
251.10579	3.4
252.07771	3.2
253.08568	12.2
263.06934	3.6
264.07721	2.0
265.08551	71.3
266.05978	0.8
266.08994	2.6
267.06631	1.2
267.10117	20.5
268.07504	0.7
268.10834	2.3
278.09244	0.7
279.10129	7.3
280.10895	94.0
281.08054	51.3
282.08643	4.4
283.09644	1.7
284.10300	0.6
286.97650	0.5
293.11591	1.0
294.08731	0.8
296.10376	50.4
297.11047	3.5
305.11444	0.6
308.09106	7.7
311.12714	50.0
312.13190	1.1
322.14542	0.5
323.11581	1.6
324.12421	1.0
338.13797	63.8
339.13870	1.1
354.16949	14.5
388.35779	1.8
476.28113	0.7
490.36017	1.2
508.30518	100.0
509.30792	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	508.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01854	1.1
55.05496	0.9
57.07064	4.5
65.03933	2.4
67.05499	2.9
69.07055	2.0
69.72248	2.0
69.72660	1.1
70.06561	0.7
71.08617	6.2
79.05476	2.0
81.03396	0.7
81.07041	5.3
83.08627	0.8
84.00726	0.4
84.04494	0.7
85.10178	2.3
91.05463	39.0
93.07011	1.1
94.07486	0.4
95.04951	1.6
95.08593	5.1
96.04479	0.9
97.06486	0.4
105.03372	7.8
107.04933	2.8
107.08570	0.8
108.62183	0.4
109.06496	3.4
110.02386	1.5
110.06035	2.3
110.60751	0.4
111.04409	0.6
119.04917	21.0
120.04462	0.6
120.08059	0.4
121.02837	5.0
122.02370	0.4
122.05988	0.9
123.04417	1.5
125.52283	0.5
134.05984	0.6
135.04404	3.1
136.05177	0.4
136.07523	1.4
137.02425	2.1
137.05951	100.0
137.13200	0.5
138.01880	0.8
138.05452	2.5
138.06360	0.6
150.05542	0.4
153.12709	0.6
155.14270	1.0
162.05444	0.5
164.07045	8.9
166.02991	0.4
166.55995	0.4
200.06955	0.6
216.06567	0.8
217.07327	0.6
218.08113	3.1
220.09642	1.1
228.10042	0.9
230.08128	1.8
238.08641	2.5
239.09380	1.4
240.10246	1.9
244.06125	0.4
246.07547	6.1
246.11275	1.7
256.09659	3.8
262.10727	0.7
264.15955	2.0
272.09177	0.4
274.07639	0.6
274.10681	15.1
274.17880	0.9
282.16919	0.6
283.15411	0.6
292.11731	1.6
318.09750	0.5
336.10797	1.1
338.12167	0.9
354.20575	1.1
364.10303	0.7
368.20688	0.5
372.21640	1.5
374.23141	0.7
390.22690	0.8
400.21097	40.2
401.21518	0.9
402.22592	0.6
410.23148	1.4
428.24258	18.5
446.25330	5.7
462.24982	1.2
472.23141	0.8
490.24295	10.9
508.25330	39.5
509.26141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
55.05491	3.3
56.05024	3.2
57.07066	15.9
58.06579	1.3
67.05492	13.3
69.07060	9.2
70.06582	2.4
71.04976	0.8
71.08613	16.0
71.82857	1.4
79.05492	4.0
81.03384	2.1
81.07043	19.1
82.06568	1.9
83.04973	0.9
83.08600	3.3
84.08133	10.7
85.10175	8.3
86.09684	3.3
91.05472	3.4
93.07024	4.9
95.04934	1.3
95.08588	15.5
96.08111	8.5
97.06539	0.9
97.10133	2.1
98.09673	11.3
99.08084	0.8
105.07027	2.6
107.08603	3.4
109.10133	3.8
110.09679	3.8
112.11223	100.0
113.10795	0.9
117.06986	1.0
119.08593	1.3
122.09654	2.3
123.11704	0.9
128.81451	0.8
131.08548	1.4
133.10086	1.8
135.11710	1.4
139.12289	0.9
149.09598	1.0
149.13280	1.8
155.14276	3.0
155.15396	1.6
159.11679	1.6
195.13805	1.4
198.18452	0.9
211.21007	0.8
248.23787	3.6
249.22197	1.0
264.23178	40.5
265.23703	1.0
266.24765	21.8
293.25937	2.1
309.28937	24.8
339.18192	0.9
353.27896	5.5
358.14142	0.8
362.34213	1.8
390.73444	0.9
445.41672	2.4
463.42496	34.2
507.41235	56.3
508.41110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3673
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03914	2.2
54.68797	0.9
55.01826	3.3
55.05500	22.3
57.03426	7.6
57.07059	7.7
58.07374	1.8
59.04945	3.1
65.03893	3.4
67.05492	100.0
67.05830	3.9
67.06001	3.1
68.05787	1.1
69.03397	2.1
69.07056	18.3
70.91357	3.3
71.04946	2.6
71.08575	4.3
75.64307	0.9
79.05478	29.8
81.03408	4.8
81.07041	67.4
82.03707	1.5
82.07360	1.2
83.04905	3.2
83.08605	19.4
85.06466	3.0
85.10126	2.0
91.05462	22.6
93.07024	40.8
94.07327	1.0
95.04961	5.9
95.08587	46.6
97.06471	2.5
97.10148	15.6
99.08009	1.4
99.19574	1.1
105.07015	17.2
107.08569	28.2
109.06474	1.9
109.10138	60.5
109.10844	2.1
111.07978	4.1
113.09594	1.0
117.07003	8.3
119.08552	23.3
121.06417	1.5
121.10125	19.0
123.08001	1.2
123.11697	11.6
125.09606	8.6
129.06888	3.5
131.08549	16.0
133.10107	13.2
135.07901	1.9
135.11674	14.9
137.09499	2.8
137.13156	2.7
139.11086	1.2
143.08490	2.3
143.88841	0.9
145.10110	10.7
147.11649	11.5
149.09488	1.8
149.13239	10.4
151.14732	1.3
153.08957	1.1
155.10556	2.1
157.10004	3.3
159.11664	13.3
161.13249	5.7
163.11055	1.2
163.14682	4.2
169.09991	1.2
171.11525	3.1
173.11572	13.4
173.13126	8.6
175.11060	1.3
175.14684	2.1
177.16283	1.3
183.11597	2.3
185.13087	3.8
187.14786	6.3
189.11191	7.5
191.14270	1.2
193.12169	1.7
194.12381	1.9
201.16187	2.1
211.14693	1.5
215.17833	1.2
224.08192	1.0
227.12750	10.3
229.14310	38.5
231.15681	1.3
243.21031	5.5
259.20261	2.9
261.22113	30.0
262.22284	0.9
263.23538	2.0
265.08142	1.0
277.21298	1.1
279.22861	2.5
289.21341	1.3
311.12650	1.1
317.24695	5.8
333.23770	1.3
335.25781	27.6
336.25925	1.3
361.30667	1.3
379.29471	3.4
397.30991	8.4
415.31985	7.0
433.33014	6.6
435.30713	1.2
449.32156	1.4
471.34726	5.2
489.35715	57.6
490.35556	1.5
507.25906	2.3
507.36273	36.7
508.29404	1.1
508.36490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3674
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
50.98930	1.0
53.03931	2.2
55.01863	1.2
55.05502	28.3
57.03425	7.6
57.07066	12.4
58.07399	1.3
59.04981	2.9
65.03928	2.2
67.05492	100.0
68.05839	2.2
68.78920	1.0
69.03412	2.7
69.07060	15.9
71.04985	3.5
71.08620	9.5
71.82058	1.5
79.05478	27.5
81.03405	6.9
81.07043	71.8
82.03732	2.4
82.07380	1.3
83.04970	3.2
83.08604	18.2
85.06522	4.1
85.10171	2.8
91.05465	23.6
93.07027	39.7
95.04935	5.4
95.08590	46.5
97.06522	3.3
97.10141	13.5
99.08088	1.9
105.07006	17.5
107.04940	1.3
107.08577	26.8
109.10137	63.1
110.10452	1.3
111.08052	4.6
117.07000	7.9
119.08568	19.0
121.06511	1.3
121.10128	20.2
122.21700	1.1
123.08067	2.1
123.11674	10.9
125.09612	10.5
127.11150	1.5
129.07013	2.3
131.08536	13.8
133.10106	14.6
135.08038	1.2
135.11664	14.8
137.09616	3.5
137.13231	2.9
143.08543	3.2
145.10114	10.6
147.11668	8.9
149.09561	1.6
149.13237	12.2
151.11232	1.1
151.14781	1.9
153.09111	1.8
155.08514	1.6
155.10626	2.2
157.10159	2.7
159.11662	11.8
161.13234	5.7
162.98479	1.1
163.14767	6.0
164.25511	1.0
169.10152	2.3
171.10081	0.9
171.11656	2.3
173.11726	15.3
173.13252	8.4
175.11122	2.0
175.14845	2.0
177.12804	1.2
177.16386	1.1
183.11658	2.0
185.13193	2.7
187.14815	4.0
189.11171	7.5
193.12134	1.5
194.12633	2.6
195.13953	1.5
197.13202	1.4
199.14798	1.8
212.37302	1.0
227.12717	10.3
229.14304	37.7
231.15813	1.9
243.21089	5.7
259.20255	2.2
261.19272	1.6
261.22116	30.5
263.23639	2.1
279.23090	2.0
289.21591	1.3
299.23782	2.3
307.02136	1.2
317.24719	4.2
321.45880	1.2
335.25763	29.9
361.31018	1.6
367.32190	2.0
379.29834	3.7
397.30948	6.7
415.32037	7.9
433.33124	5.4
449.32507	1.7
471.34711	4.3
489.35715	52.7
490.35751	1.9
507.37192	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98634	2.4
53.03933	6.0
55.01851	8.3
55.05504	24.3
57.03419	10.0
57.07047	3.1
57.11023	2.1
59.62292	2.0
65.03924	3.6
67.05496	39.6
69.07048	10.8
69.63967	4.2
69.64384	16.9
71.04980	5.0
71.08633	3.0
73.06525	2.1
79.05484	62.9
81.03413	12.1
81.07043	38.1
83.01319	9.4
83.04967	20.7
83.08597	11.0
85.02893	4.5
86.09728	2.5
91.04912	2.7
91.05465	39.7
93.07031	63.6
95.04948	26.3
95.08588	25.8
97.06534	4.4
98.20659	2.3
103.05436	2.7
105.03385	10.6
105.07012	31.2
107.04996	12.4
107.08576	18.8
109.06496	7.8
109.10132	6.2
111.04472	2.5
115.05387	3.4
117.06998	11.5
119.08562	22.7
121.02859	5.7
121.06513	4.7
121.10117	9.4
123.04417	2.5
123.08038	9.8
125.06019	2.1
125.09551	2.1
128.06142	2.9
129.06992	14.1
131.08589	4.0
133.10080	7.6
135.08096	3.6
135.11665	9.9
137.02335	2.4
137.05968	2.2
143.08490	6.9
145.06425	2.1
145.10117	21.2
147.07994	3.1
147.11696	23.7
153.12625	3.5
153.79262	2.2
159.11633	2.3
161.09540	2.5
161.13254	5.9
162.05420	4.7
163.11171	20.6
171.11646	20.8
173.09561	4.2
178.08672	3.0
181.12196	4.5
189.12743	10.1
207.13779	23.1
209.11755	8.7
225.14816	3.0
227.12732	5.9
270.07623	6.6
281.17450	39.9
283.15356	58.6
292.06076	2.8
332.22177	6.2
333.22488	19.0
429.30197	2.5
471.27509	4.6
489.28424	100.0
490.28986	4.4
501.91360	2.5
507.20316	3.7
507.28717	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	507.2712
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.15929	0.7
53.03923	1.5
55.05504	10.5
57.03432	5.8
57.07063	1.6
65.03923	1.2
65.43285	0.8
67.05492	34.1
69.07057	10.4
69.79764	2.6
69.80196	3.3
72.08105	1.0
72.26942	0.8
79.05012	0.9
79.05476	23.4
81.07040	33.5
83.08611	4.4
85.06513	0.7
86.09688	2.1
90.17865	0.7
91.05464	13.3
93.07027	25.7
95.04950	2.5
95.07986	1.5
95.08592	30.0
97.06499	1.5
97.10149	2.2
98.21437	0.8
98.98452	38.6
105.07011	9.8
107.08571	13.9
109.10134	11.0
116.99458	0.9
117.06962	2.4
119.08547	8.4
121.10120	11.8
123.11652	4.0
131.08545	5.0
133.10101	7.9
135.11668	7.6
136.90106	0.8
137.00031	1.1
137.09576	1.0
145.10097	4.4
147.11650	4.6
149.13239	4.4
155.01012	15.9
159.11679	3.4
161.13214	3.9
163.14799	3.3
173.02101	4.6
173.13229	2.7
175.14720	0.9
177.16396	0.9
184.07329	2.1
186.40121	0.7
187.14760	2.2
201.16356	1.1
211.03592	0.8
215.17934	0.9
220.57143	0.8
221.15292	1.4
229.04655	2.4
243.21140	4.6
247.05679	2.5
261.22147	10.5
317.24728	4.7
335.25735	100.0
336.26096	1.5
338.63516	0.8
359.16016	0.7
372.11975	0.7
471.25156	6.0
507.33432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09003	2.5
54.73894	2.2
55.05497	29.5
57.03431	12.4
57.07077	4.6
59.04988	3.6
63.37319	2.2
67.05484	6.6
69.03429	16.9
69.07068	4.5
70.06592	2.6
71.04974	3.6
71.80845	2.6
73.06528	8.8
78.86215	2.3
79.05480	5.7
81.03392	7.5
81.07038	17.4
83.04962	28.6
83.08598	11.7
85.02890	32.5
85.06503	2.9
91.05482	5.6
93.07031	8.0
95.04950	21.1
95.08590	8.1
95.52861	2.3
97.02866	26.1
97.06510	7.8
99.04459	7.6
101.05995	87.8
105.03382	2.9
105.07008	11.2
107.08581	15.8
109.02876	8.5
109.06494	13.3
109.10142	34.2
111.08013	3.8
119.07047	35.1
119.08534	8.4
121.02783	5.3
121.10132	16.5
123.08023	6.9
123.11682	9.2
125.09594	4.5
127.03873	29.2
131.08591	10.9
133.10100	32.9
135.08015	6.9
137.13263	3.0
143.08549	3.6
145.04944	20.6
145.10098	7.3
147.11690	5.6
149.13284	7.3
151.11151	17.7
153.09059	13.5
163.06012	3.8
163.14801	5.0
167.14304	15.0
173.13229	27.9
175.14815	5.6
180.18059	2.1
191.14305	25.5
209.15324	100.0
217.69719	2.7
227.09215	2.7
227.16376	8.6
245.10234	9.9
247.83377	2.5
263.11258	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	506.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91507	0.2
53.03944	0.3
55.01869	0.3
57.03415	0.5
61.02917	1.1
65.03925	0.5
67.87765	0.2
69.03409	1.9
70.92310	0.8
73.02918	0.3
81.03403	0.8
85.02891	10.3
87.04465	0.4
91.03951	0.8
91.05465	4.8
95.04971	0.6
97.02872	2.9
99.04412	0.3
109.02872	1.0
119.04924	15.6
120.05287	0.3
123.04435	0.8
127.03928	2.1
133.35626	0.2
145.04936	3.9
147.04384	100.0
148.04723	2.3
162.47607	0.2
163.03880	0.5
163.06027	1.4
165.05452	56.1
166.05829	1.1
180.08656	1.4
195.80701	0.2
229.57445	0.3
297.07635	0.3
309.09610	1.1
325.11380	0.3
344.13373	1.0
392.15994	0.3
432.79340	0.2
506.16306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66503	1.0
55.01846	0.9
63.63462	0.9
67.05488	1.1
69.03403	2.0
71.80657	1.0
83.04987	1.4
85.02895	1.8
91.05463	1.2
104.75272	1.1
107.04971	1.1
111.04422	2.5
115.05428	1.1
119.04928	2.4
123.04401	19.7
131.04878	1.8
135.04381	1.2
135.07767	1.2
137.05968	2.4
138.05447	1.1
143.04889	1.1
146.06042	2.5
147.04372	17.9
149.06015	1.1
157.04994	1.2
160.05141	2.3
161.05998	1.4
162.05447	2.1
163.03891	9.5
163.06250	3.6
163.09335	1.0
164.07053	8.2
165.05460	7.6
165.06886	1.8
167.08563	1.9
175.03908	4.5
177.06885	5.6
178.04997	1.3
178.64488	1.0
181.06337	1.6
192.06512	1.8
195.08008	4.3
205.06453	23.1
211.07457	3.1
221.05959	1.5
223.07487	26.8
232.07570	2.2
233.05960	16.7
234.06827	1.0
237.05406	1.8
239.06940	3.6
241.08510	2.5
249.05394	2.4
250.06215	1.3
250.08592	10.0
251.06993	41.1
257.08096	2.8
261.05457	3.4
261.07962	1.1
267.06476	3.0
268.09943	1.3
269.08078	17.5
278.08032	9.0
279.06479	76.8
280.07019	2.5
282.05203	1.3
285.07565	12.9
286.10703	8.3
296.09125	23.8
297.04083	2.0
297.07535	47.6
314.10178	100.0
325.09232	1.8
349.09225	3.2
373.73941	1.0
409.84769	1.0
488.15356	4.2
506.16522	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35981	1.1
67.05486	2.3
69.03412	2.0
71.80560	2.2
74.47711	1.2
79.05518	1.1
83.04964	2.9
85.02882	3.4
88.03981	2.8
89.03918	2.2
91.05405	1.5
93.89185	1.1
95.04949	5.1
98.97556	1.8
105.03352	1.2
107.04964	2.5
111.04418	4.6
112.07555	5.8
112.30937	1.0
115.05422	1.3
117.03373	2.5
118.06532	1.3
121.06534	2.2
123.04410	38.6
129.05495	1.4
131.04921	2.0
134.04477	2.2
135.04375	7.3
136.06155	17.3
137.05928	5.0
138.05421	1.2
139.03899	3.1
142.71074	1.2
143.01898	4.1
143.04877	1.5
145.02837	3.9
146.05998	5.6
147.04398	14.6
149.05936	1.6
152.07091	1.8
158.06641	1.8
158.99655	1.7
160.05217	1.9
161.02943	7.0
161.05951	2.9
162.05472	2.3
163.03893	40.2
163.06253	5.5
164.07039	11.1
165.05464	3.5
165.06898	1.3
167.08563	2.1
175.03847	10.1
176.07611	2.5
177.00688	1.5
177.06845	6.2
179.08647	1.2
181.06409	1.8
187.03868	1.8
188.07672	5.4
192.06531	3.2
195.08078	6.8
195.09689	1.3
203.03969	2.4
203.05618	2.2
204.08080	2.7
205.04724	2.4
205.06470	27.3
219.01637	1.6
221.05936	3.4
223.07524	25.9
223.09639	2.1
227.07080	1.3
232.07756	1.3
233.05930	17.9
237.05547	3.8
239.06993	5.2
241.08577	2.6
249.05484	2.5
250.06294	2.4
250.08572	11.4
251.06993	53.3
255.06569	2.0
257.08035	2.5
261.05399	5.6
267.06558	4.5
269.08066	23.1
273.08704	1.2
275.06039	2.7
278.08160	9.8
279.06467	85.1
280.07227	2.4
282.05188	3.1
285.07486	11.5
286.10681	9.4
287.10010	1.5
288.10916	1.4
296.09140	30.7
297.07523	52.4
314.10208	100.0
325.09192	13.0
332.09692	5.7
349.09088	13.2
350.10889	6.2
377.09076	2.9
460.15985	1.3
488.15564	21.0
506.16501	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	505.388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46788	0.7
53.03946	4.4
55.01853	1.4
55.05504	8.6
57.03428	1.4
57.07067	30.1
65.03914	1.7
67.05497	21.7
69.03416	1.5
69.07064	9.9
71.04977	1.1
71.08239	1.2
71.08623	20.5
79.05480	9.5
81.03407	69.0
81.07042	22.7
82.03718	0.7
83.04970	3.1
83.08607	21.3
85.10168	12.7
91.05464	13.8
93.07030	7.0
95.04955	19.4
95.07990	1.1
95.08594	20.0
97.02876	2.1
97.06503	1.6
97.10153	5.3
98.20611	1.1
105.07034	8.4
107.04922	4.8
107.08596	2.8
107.35238	0.7
109.06523	2.0
109.10143	9.4
111.08072	4.5
111.11705	1.9
117.06953	1.5
119.04924	0.8
119.08558	7.8
121.06483	2.3
121.10107	2.8
123.08041	0.9
123.11697	3.4
125.13324	0.8
128.06117	0.9
129.06984	6.8
129.51483	0.7
131.08559	6.9
133.06476	2.1
133.10107	3.2
137.13287	1.4
142.07773	2.4
145.10158	1.0
147.08040	2.0
147.11705	4.7
149.09653	2.1
151.14838	1.0
157.10086	6.2
159.11664	0.8
161.13219	0.7
175.11142	7.1
177.87471	0.7
193.12212	22.2
229.57318	1.0
239.23650	6.6
249.14806	6.0
250.06346	0.9
306.12311	0.9
362.18719	1.3
474.30902	0.9
505.38821	100.0
506.39157	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	503.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02414	0.5
53.03935	4.4
55.01864	2.4
55.05503	37.1
55.79668	0.5
57.03424	1.9
57.07066	13.5
58.28760	0.5
65.03936	0.8
67.05493	11.1
69.03415	1.5
69.07057	34.2
70.39706	1.1
70.40086	2.2
71.04978	1.1
71.08620	8.6
79.05479	10.5
81.03405	79.2
81.07039	9.9
83.04975	2.0
83.08605	42.6
85.02882	0.7
85.06560	0.7
85.10169	3.3
91.05464	14.7
93.07029	7.4
95.04956	20.6
95.08592	3.7
97.02870	2.1
97.10154	24.3
103.05448	0.7
105.07012	11.3
107.04918	4.3
107.08559	3.3
109.06487	1.6
109.10136	1.3
111.04421	1.5
111.08057	6.7
111.11694	9.0
115.05475	1.3
117.06996	1.5
119.04931	1.3
119.08564	9.3
121.06505	2.1
121.10126	4.0
123.08067	1.0
125.13223	3.0
129.06982	9.4
131.08545	6.1
133.06470	3.1
133.10107	3.6
135.11685	0.7
137.09586	1.5
139.14778	0.6
141.07010	0.6
142.07771	2.3
143.08441	0.6
147.08049	2.0
147.11679	4.7
149.09601	2.3
149.51477	0.5
156.07697	0.5
157.10094	7.4
165.12776	1.3
175.11197	7.8
193.12210	32.1
231.13702	0.8
237.22055	1.6
249.14841	6.6
290.08176	0.6
291.08453	1.0
305.09943	0.6
306.10870	1.1
320.13058	0.6
321.13297	1.5
349.12637	1.7
403.42520	0.5
503.37244	100.0
504.37411	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03938	0.9
55.01862	0.4
55.05508	2.7
57.03412	0.6
57.07065	7.4
62.06075	2.1
67.05487	6.8
69.07053	2.2
70.06573	0.4
71.08622	2.9
71.78842	0.4
72.04497	0.7
77.03918	0.5
79.05485	7.2
80.05011	0.4
81.07047	4.2
81.34637	0.4
83.08602	1.9
85.02889	0.6
85.10169	1.7
88.07597	0.8
91.05455	1.6
91.99541	0.3
93.07023	1.7
95.04952	1.3
95.08594	5.6
97.10146	1.3
98.98475	0.5
103.05448	4.1
105.07011	100.0
107.08570	1.6
109.10123	2.6
110.02383	0.6
119.08560	0.4
120.08112	0.4
121.10117	1.1
123.11678	0.7
132.08061	4.5
136.13141	0.4
138.01837	0.5
146.09688	0.4
147.11763	0.5
148.07506	0.4
149.02319	1.6
163.14818	0.6
184.11320	0.4
186.09132	2.6
186.12634	0.4
188.10672	2.9
193.04951	1.5
198.09097	1.2
200.10696	0.8
202.76674	0.4
212.10759	0.5
214.08647	4.8
214.12222	4.3
215.62956	0.4
216.10210	1.5
224.10713	1.1
226.08728	0.4
226.12221	0.5
228.10059	0.7
230.11684	0.5
242.08122	2.7
242.11720	18.7
254.11867	0.5
258.07523	0.5
260.08911	0.4
260.12885	1.4
267.64606	0.4
270.11331	0.6
289.25275	0.5
306.13510	1.1
332.29309	0.4
338.33905	0.6
340.26120	0.5
360.32568	1.2
363.28925	6.2
368.25629	1.8
370.27460	0.6
382.27509	0.4
386.26797	1.7
394.27234	0.4
396.25235	45.1
397.25540	1.0
398.26935	0.6
406.27365	1.8
412.28244	0.6
414.26413	1.0
424.28400	17.7
425.29007	0.7
442.29474	5.1
458.29276	0.8
468.27533	1.3
486.28506	9.9
486.35516	0.3
504.29559	39.3
504.36676	5.4
505.29636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33149	0.9
53.03927	1.6
55.05502	1.3
57.07060	0.9
59.04988	1.9
63.50003	0.9
67.05487	8.1
69.03414	4.2
69.07037	1.3
69.74969	8.0
71.04983	7.0
72.58775	0.8
79.05484	1.9
79.34942	0.9
81.03386	1.9
81.07037	3.1
83.04973	1.8
85.02904	4.4
85.06528	5.4
89.06016	34.3
89.06574	1.7
90.62709	0.8
91.05447	2.7
93.07043	5.8
94.21940	1.0
95.04948	2.6
95.08590	33.3
97.02869	7.3
99.04427	2.3
101.05933	0.9
105.06997	6.0
107.08580	6.1
109.02875	2.1
109.06496	3.7
113.05968	3.7
119.08561	10.5
121.06455	2.1
121.10133	3.9
123.08054	16.3
123.11669	2.0
127.03898	4.0
131.08519	1.3
133.06441	1.5
133.10078	2.5
135.06520	9.8
135.11655	4.8
137.05975	10.2
137.09564	5.0
143.08548	1.6
145.04967	2.5
145.10045	1.3
147.07990	2.3
147.11650	6.2
149.09593	59.1
151.07509	3.2
156.09331	1.9
159.08023	1.2
161.05928	1.9
161.13203	6.4
163.11179	1.8
165.12740	4.0
171.11633	4.1
174.10384	3.2
175.07524	3.1
189.12703	21.9
191.08525	1.0
207.13768	100.0
219.07965	1.5
261.09573	1.0
279.10489	2.7
291.09634	0.9
311.12827	2.2
323.12512	2.8
405.54355	1.0
472.29337	1.0
503.05731	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.9
55.01862	1.0
57.03415	1.3
59.04982	0.6
60.03521	0.6
61.02913	2.6
63.01579	0.5
69.03416	7.6
70.91398	1.4
71.04971	1.0
73.02902	1.2
79.05478	1.1
81.03413	3.5
81.07032	2.7
83.01326	0.7
85.02893	19.3
87.04475	0.9
91.03988	0.5
91.05448	2.8
94.04160	3.2
95.04940	0.7
95.08602	0.6
97.02876	6.8
99.04428	1.7
103.05436	2.6
104.06214	0.6
105.07005	3.7
107.04929	1.0
107.08591	1.2
109.02870	2.5
109.06514	3.2
115.05436	2.9
117.07007	1.2
119.08575	3.7
121.10084	0.6
122.03625	7.6
127.03896	3.7
128.06195	2.1
129.06963	2.2
131.04898	5.0
132.05699	1.9
133.06500	3.1
135.10660	0.6
137.05956	100.0
138.06277	0.6
139.26126	0.5
141.06989	1.0
143.04938	0.9
145.04913	1.9
146.03546	0.5
147.04427	0.7
147.08015	2.6
149.05952	1.6
151.07443	0.8
156.05617	0.8
159.08046	1.4
160.05154	2.4
161.05952	12.1
163.03899	0.9
163.07518	7.5
167.07079	0.9
169.06425	1.0
171.08058	1.2
175.07524	41.3
179.07013	0.9
184.05167	2.4
185.05969	0.9
187.07530	5.6
189.09082	1.4
190.07788	1.5
191.08539	4.9
197.11711	0.9
199.07509	13.9
201.09070	1.2
202.07764	3.9
203.08540	7.3
207.13852	1.6
218.07236	1.3
219.08003	8.3
220.08736	1.7
225.15065	0.7
231.08002	7.8
232.08708	1.8
233.09692	0.6
235.07481	0.9
235.11136	0.9
236.08269	1.4
247.07489	4.2
248.08286	3.6
251.10638	9.6
259.07477	4.9
260.08289	1.7
261.09195	1.0
263.10574	4.3
264.07932	0.7
265.08676	0.8
266.09146	0.6
276.07709	2.6
277.08517	3.2
278.09348	0.6
279.10101	9.4
280.10919	0.9
281.08099	0.9
291.10132	10.5
292.10843	3.3
293.08145	0.9
295.13284	1.5
308.10419	1.2
311.12726	23.9
312.13034	0.7
323.12704	21.1
323.25510	0.6
325.14337	1.9
377.01587	0.6
379.34332	0.6
436.28802	0.6
503.32532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36148	0.5
57.07071	4.4
67.05494	1.9
69.49636	5.0
71.08612	2.4
81.07049	1.6
85.10178	1.7
95.08590	3.9
109.10172	1.3
149.09454	0.5
169.15791	0.8
169.70273	0.4
209.08333	1.0
233.08261	1.1
234.09116	2.0
237.07831	1.1
245.08365	1.2
248.07071	2.1
249.05431	1.8
250.06319	0.5
261.07816	1.9
262.08560	10.6
263.09372	2.8
267.89337	0.6
274.08542	2.5
276.06598	1.5
277.07324	2.5
278.11713	0.9
290.08057	24.3
291.08832	30.3
306.11188	71.3
307.11557	0.7
320.21988	0.9
327.08890	0.7
328.09811	1.0
334.10663	100.0
335.10968	1.0
348.12292	0.9
356.09229	2.2
474.26187	2.1
484.24585	1.6
502.25772	4.6
502.37738	0.8
502.41757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96499	0.2
52.62067	0.2
53.03917	0.4
55.01850	0.9
55.05256	0.4
55.05500	4.4
57.03427	3.8
57.07066	9.7
59.05000	0.3
61.02903	0.9
65.03923	0.8
67.05492	3.8
69.03414	5.0
69.07053	5.7
69.87037	1.6
71.01337	0.8
71.04984	2.1
71.08609	0.5
71.59985	0.2
72.50651	0.2
73.02900	2.0
73.06527	0.6
79.05475	7.3
81.03391	1.4
81.06596	0.3
81.07045	6.4
83.04969	2.9
83.08609	2.0
85.02890	5.0
85.06528	10.2
87.04465	1.2
87.08094	0.8
88.07610	0.6
89.06018	0.3
91.05463	23.5
93.07027	4.1
95.04942	1.1
95.08583	2.1
97.02864	1.0
97.06484	1.3
99.04455	1.4
99.08063	1.3
101.02337	0.3
102.09203	0.3
103.03922	1.0
103.05447	0.4
103.07540	0.6
104.06228	1.4
105.07012	5.8
107.04930	0.3
107.08583	2.2
109.06497	4.5
111.04450	1.2
111.08058	8.5
113.05999	0.3
115.03907	1.0
115.07558	0.5
117.05439	0.8
117.06993	1.0
121.10145	0.4
123.08039	1.3
125.09632	2.1
127.06656	0.5
127.07529	7.3
129.05453	0.6
129.09128	2.0
131.08557	0.4
133.10104	100.0
134.10472	0.9
135.08032	1.4
139.07587	0.3
141.09088	0.7
145.08525	0.3
147.08038	3.1
149.09593	27.0
153.09082	7.9
159.42551	0.2
169.08611	0.9
171.10138	16.2
187.09663	0.3
189.11186	16.1
234.09079	0.5
236.35335	0.3
243.17381	0.3
262.08585	1.1
263.09360	0.5
274.27402	0.5
275.27884	0.4
278.11734	1.9
279.12222	0.3
286.29895	0.3
290.08066	0.7
304.09750	0.4
306.11139	0.9
316.09497	0.3
319.18973	0.6
320.12714	1.2
333.16937	0.4
337.19992	2.9
348.12299	1.0
485.28824	2.1
502.25873	4.9
502.34021	0.4
502.35999	0.3
502.46957	0.3
503.26358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93885	0.2
55.05467	0.8
57.07065	5.7
67.05183	0.2
67.05486	2.6
69.07004	0.4
69.91077	1.4
69.91492	0.4
71.08614	2.6
79.05441	0.4
81.07043	2.1
83.08588	0.5
85.10128	1.2
86.43274	0.3
88.24438	0.3
93.06995	0.3
93.95811	0.3
95.08602	3.6
97.10106	0.3
98.20783	0.6
98.21344	0.5
109.10146	1.7
123.11686	0.3
153.63380	0.3
155.52702	0.3
179.30009	0.3
183.17416	0.8
193.08830	1.0
221.08255	1.9
248.06996	0.3
249.07809	17.5
250.08476	0.8
257.69058	0.3
264.10089	0.5
276.06485	0.7
277.07285	72.8
278.07657	1.4
286.08685	0.4
288.06430	0.4
291.08734	0.3
292.09616	57.0
293.09845	0.7
301.07318	0.5
302.07910	0.3
304.09662	0.4
305.06659	0.6
314.08057	2.0
320.09109	100.0
321.09439	1.4
342.07532	4.1
474.26477	0.8
484.25009	1.7
502.25797	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	502.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00147	0.4
56.05030	2.3
57.07030	0.6
65.22741	0.4
69.81495	0.4
70.47558	1.7
71.08580	0.4
127.57143	0.4
143.32376	0.4
234.09116	1.8
247.09846	2.2
248.10641	1.6
259.09915	1.9
260.06964	0.8
261.11560	0.5
262.08585	6.6
263.09476	0.7
264.06448	1.0
275.09442	1.3
276.10144	11.4
277.10916	0.9
280.09793	0.6
287.09396	1.3
288.07117	0.8
288.10007	3.6
289.10892	0.4
290.08041	40.1
291.08771	3.4
292.13217	1.9
302.08173	0.5
304.09625	39.2
305.10388	19.4
305.13184	0.3
306.07462	0.6
306.10620	0.8
316.09521	2.6
320.12750	100.0
321.12903	2.1
331.11975	3.0
348.12231	76.8
349.12619	0.9
474.26352	0.7
502.25714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54571	3.1
53.57023	2.7
55.01867	15.1
55.05492	10.4
56.05014	4.4
57.03415	5.7
57.07066	36.5
65.03931	7.4
67.05489	26.7
68.05008	7.5
69.07056	14.5
71.08626	47.5
71.68532	4.6
79.05483	10.6
80.05003	8.7
81.07042	38.0
83.08601	8.0
84.04494	42.7
85.02898	42.9
85.10172	28.3
91.05480	6.7
93.03388	4.6
93.07037	6.3
94.06567	6.3
95.04953	8.8
95.08594	39.7
96.04479	14.7
102.05462	2.9
103.05459	2.9
105.03416	4.5
105.07016	7.3
106.06553	5.4
107.04910	3.0
107.08602	3.6
108.04440	5.5
109.02875	8.0
109.10139	5.7
110.02384	7.2
110.06020	10.7
111.04426	3.8
114.05494	14.3
117.05721	3.1
117.06963	3.5
118.06588	4.7
119.08577	6.0
120.04444	11.7
120.08078	8.4
121.02863	10.6
121.06502	4.0
121.86003	2.8
122.06018	9.6
123.04400	4.6
124.03896	4.1
129.06993	3.3
130.04965	8.4
130.06509	5.9
133.06514	5.1
134.05966	6.9
136.03880	5.7
136.07550	3.4
137.13148	4.7
138.01848	7.0
138.05489	33.9
139.03864	3.9
140.03400	9.1
140.07039	4.5
142.04996	12.9
146.05977	3.5
148.03920	26.7
148.07516	22.5
149.02359	6.5
150.05531	16.4
155.14253	17.2
156.06633	2.8
158.06009	5.7
160.07558	6.6
160.33365	2.9
162.05492	9.7
162.09163	4.4
164.06990	4.9
166.04990	5.2
167.03343	5.4
168.06575	7.7
174.05487	6.4
176.03462	8.4
176.07047	67.0
177.05499	5.5
178.04958	3.4
182.04532	4.8
187.07541	3.2
188.06985	4.4
190.04962	4.1
191.72592	3.3
194.04442	15.0
194.08122	12.5
196.06056	5.9
200.05429	4.3
200.07042	4.2
202.05057	2.9
204.06554	52.5
208.06032	4.8
222.03989	8.0
222.07587	56.8
229.15790	3.7
234.07562	4.0
235.16939	4.7
238.06737	2.9
238.17938	3.5
240.08733	4.7
247.16821	2.7
248.20096	3.6
250.07047	40.8
262.18137	4.6
264.15991	30.4
266.06577	11.8
268.08139	40.4
274.17972	39.7
275.16388	7.6
276.19577	6.3
278.07965	7.7
279.08807	3.7
282.16946	39.7
284.07581	11.4
292.19083	13.2
294.06143	4.3
294.11237	29.3
302.17487	100.0
302.20694	5.3
304.19162	9.5
312.07086	8.2
312.19586	4.9
320.18481	8.6
322.20135	4.3
330.07788	3.3
330.16858	9.0
330.20673	7.9
336.18146	14.9
348.17960	31.0
348.21646	5.1
350.19516	10.5
358.19919	10.5
366.18985	33.3
368.20419	9.8
374.19000	3.2
376.17053	25.6
376.21677	28.7
386.19400	5.8
394.18439	71.8
394.22510	5.0
404.20636	60.5
412.19443	5.4
420.20029	18.8
422.21704	98.0
423.22098	4.3
438.21210	13.5
440.22769	4.1
448.19449	13.8
466.20660	61.4
474.19968	4.0
484.21835	10.9
502.22681	25.0
502.28867	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	502.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37142	2.2
55.01858	8.2
55.05490	6.4
57.07063	20.1
60.25261	2.3
62.34667	2.4
67.05488	15.6
68.05030	5.3
69.07055	16.6
70.98726	8.8
71.08623	28.0
79.05453	6.5
80.04993	4.6
81.07035	24.1
83.08600	5.6
84.04488	25.1
84.85011	2.6
85.02888	16.7
85.10173	12.6
86.11420	2.0
91.05471	3.6
93.07021	6.4
95.04919	2.8
95.08585	21.9
96.04457	5.3
99.83953	2.0
102.05522	4.4
105.06990	2.6
109.10149	2.6
114.05491	9.4
117.06971	2.4
120.04446	2.5
120.08064	2.8
121.02884	2.8
122.05970	3.5
124.84938	2.5
130.04964	5.3
130.07985	2.2
134.06001	5.0
136.03986	3.2
138.01833	5.4
138.05452	8.0
142.04976	5.1
148.03868	13.0
148.05988	5.3
148.07497	6.1
149.02303	3.1
150.05484	6.3
153.12694	6.2
154.01292	3.6
155.03232	2.3
155.14291	3.1
156.10594	2.5
158.05920	2.9
162.05479	5.4
164.03369	4.0
166.04922	4.2
176.03477	5.3
176.07047	19.1
182.04500	9.9
190.05055	3.6
192.06454	3.5
194.04457	5.6
194.08038	2.4
200.42055	2.3
204.06454	12.7
214.07068	3.8
218.04645	2.6
222.07541	12.5
228.17491	2.3
232.05931	4.9
238.03506	10.2
238.06975	3.6
248.05554	2.9
250.07118	9.6
260.05441	2.5
264.15894	14.0
266.06516	4.2
268.08054	12.3
274.17999	3.9
278.06686	2.9
282.17426	2.9
284.07574	2.7
286.09103	9.4
296.07571	6.7
302.08548	3.2
302.17450	51.4
312.06976	12.5
314.08621	3.5
320.18478	4.9
330.08145	3.0
330.16937	4.9
332.09631	5.9
340.06479	3.4
348.18091	14.1
358.07745	4.0
376.17386	19.2
384.20221	5.1
394.18512	36.6
404.20636	6.8
422.21631	35.6
423.21957	3.8
438.21121	6.4
440.22720	10.5
448.19769	7.9
456.22202	10.6
466.20773	9.1
484.21722	69.2
502.22733	100.0
503.23181	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	501.1732
Annotation	Jasmolactone C
Peak:m/z	Relative Intensity
55.05498	0.9
55.10220	0.6
64.13771	0.6
65.20857	0.6
67.05482	1.5
69.03383	1.1
69.07041	0.8
69.80938	2.6
69.81345	1.7
70.44352	0.6
78.92489	0.5
79.05479	1.0
80.42669	0.5
81.03378	1.4
81.07031	2.1
82.06541	0.7
83.04949	0.9
84.08125	7.6
85.01689	0.7
85.02887	0.9
86.09686	1.4
86.59062	0.6
91.05465	1.1
93.07045	1.1
95.08589	1.7
97.02887	1.0
97.06512	0.8
98.20774	1.2
98.97556	3.9
110.88126	0.7
112.11234	1.7
116.98576	4.8
117.03381	0.7
127.03904	1.6
128.07085	0.7
131.00182	0.7
134.99619	3.3
140.07031	2.6
145.02800	1.2
145.06461	0.6
145.10196	0.6
147.04326	0.9
149.01201	0.7
156.10187	1.1
158.99664	1.6
165.09038	0.6
173.09612	0.7
177.00668	1.8
177.05447	3.9
181.13795	0.7
191.02240	0.7
219.01668	1.7
237.02731	1.7
253.11156	1.0
261.02750	0.8
271.12103	0.9
279.03891	0.8
302.05582	0.8
303.91519	0.6
305.02597	4.0
310.23798	1.7
313.12952	0.8
327.26361	8.8
373.15485	0.9
384.52536	0.7
415.16324	5.8
433.17560	1.1
439.23285	0.6
441.92200	0.7
457.17822	10.4
467.30411	0.7
475.18674	1.1
483.27069	1.0
499.08759	0.7
501.17224	100.0
501.29318	3.1
502.17554	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84891	1.4
55.01846	4.2
55.05483	3.8
56.05006	2.3
57.07059	10.9
65.03917	1.8
67.05497	10.2
68.05000	5.0
69.03406	1.9
69.07053	5.7
70.02919	1.4
70.93500	2.6
70.93834	2.4
71.08613	13.3
73.14567	1.3
79.05464	2.7
80.04984	2.1
81.03378	3.4
81.07039	11.3
82.02909	5.8
82.06557	2.0
83.01318	1.6
83.08607	2.6
84.04485	33.9
85.02888	9.1
85.10170	6.1
86.06036	1.8
91.05428	2.2
93.03349	3.6
93.06990	3.0
94.02924	1.6
94.06525	3.2
95.04929	4.8
95.08579	11.3
96.04461	8.2
97.02829	2.1
98.06023	1.8
100.03976	1.9
101.02339	1.6
101.07115	3.0
102.05523	2.1
105.03360	4.1
107.04907	1.2
107.08547	2.1
108.04424	1.9
109.02853	2.2
110.02377	9.6
110.06007	6.4
111.04399	1.3
114.05486	4.5
119.08539	1.7
120.04409	4.6
121.02843	6.4
121.09350	1.2
122.05984	5.6
123.04423	7.2
124.03944	12.8
125.02304	2.1
126.05490	2.6
128.03419	9.5
130.04956	25.1
134.05989	2.1
136.03870	2.8
137.02316	3.0
138.05460	19.4
139.03839	2.6
140.03391	3.3
140.06931	1.3
142.04955	13.4
145.02798	1.2
145.06395	1.7
146.05957	1.4
147.07614	7.2
148.03922	9.0
148.07545	1.6
149.02321	3.9
150.05470	2.3
151.03613	1.2
152.70331	1.3
152.78398	1.3
154.04971	1.8
155.03348	2.9
155.14273	2.8
156.06468	1.3
157.06071	3.3
163.03883	1.5
164.03362	2.4
166.03604	2.1
166.04950	27.7
167.03389	2.2
176.03423	5.2
176.07039	4.4
177.05438	4.2
178.04967	2.3
179.03302	1.2
179.04994	1.2
182.04410	7.1
184.06017	12.5
185.04472	1.7
188.03180	1.3
192.02873	1.3
192.06508	1.8
194.04497	3.6
196.05975	1.7
200.05476	1.8
202.07059	100.0
204.06531	3.6
210.03908	4.5
214.05032	1.2
218.06630	1.7
220.05974	3.0
222.03993	2.1
222.07515	1.8
230.04367	1.9
232.05930	2.0
238.03432	15.1
248.05618	2.1
249.08817	1.6
250.07060	2.9
264.15860	3.4
266.06506	4.6
267.09531	1.9
274.17963	1.5
276.04944	2.4
283.09149	2.5
294.05960	4.0
296.07227	1.3
302.17499	6.4
309.17197	1.8
312.07089	15.2
315.69800	1.4
320.18280	2.3
329.09787	3.2
338.15695	1.2
338.19623	6.4
348.17795	2.8
354.18893	1.5
356.20596	65.9
376.17441	3.8
393.20218	1.9
409.23352	1.6
421.23538	5.9
438.21143	1.5
455.23819	3.8
465.22003	3.6
466.20697	5.0
483.22964	11.1
484.21722	1.9
501.24240	89.8
502.24377	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	500.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01862	11.8
55.05497	3.1
57.07055	4.6
59.04985	1.8
66.43290	1.1
67.05490	6.1
68.04340	1.1
69.03424	8.9
69.07056	8.4
69.61713	10.8
70.02921	5.9
70.06572	1.9
71.04980	3.6
72.04502	23.1
73.02908	9.7
79.06796	1.1
81.03406	19.5
83.04961	12.9
84.04485	2.3
84.08137	1.8
85.02896	8.6
85.06527	9.0
86.09692	6.6
87.08089	3.3
90.05539	45.4
95.04951	10.6
96.08108	3.4
97.02869	11.3
98.02385	17.7
98.20650	2.2
99.04436	6.5
99.08025	1.1
100.03959	6.1
101.06000	4.2
102.05487	1.5
103.07574	5.0
105.07024	1.1
109.02850	33.2
111.04435	2.2
112.07600	2.4
113.05982	5.2
115.03902	1.5
116.03432	27.4
119.04903	4.2
121.06466	1.5
124.07565	24.8
127.03882	19.7
128.03410	1.5
129.05467	1.4
130.04941	1.4
130.08650	1.5
131.07004	2.7
132.06548	9.8
132.10193	2.3
137.02263	1.2
138.05489	4.1
139.03857	2.7
141.09050	1.8
142.08600	19.6
142.20142	1.3
145.02866	1.4
145.04933	6.2
147.04390	14.5
148.06003	2.8
149.07362	1.2
154.08542	1.5
156.10159	2.4
160.09644	6.9
163.03857	7.7
164.04262	2.3
166.08589	5.0
169.04939	1.4
172.09619	3.5
174.11195	6.0
177.05428	1.4
178.08623	1.4
181.04971	3.1
184.09654	38.5
187.05951	1.2
193.08540	1.5
194.04465	1.2
198.07553	4.1
199.06004	7.4
202.10701	100.0
203.11348	2.7
211.09612	10.9
216.08623	5.5
216.12354	1.3
217.07037	5.9
220.11761	27.5
222.03949	1.9
226.10849	1.3
230.10173	13.2
234.09685	13.6
244.11732	4.5
262.12839	22.0
266.10068	1.4
279.06772	1.3
280.06747	3.2
284.10895	1.6
298.07455	2.0
308.06210	1.5
310.12772	10.8
317.12228	2.7
319.12680	1.4
326.07391	3.6
328.13852	99.1
329.14270	2.4
346.14911	24.5
352.15872	2.7
364.15945	64.1
365.16376	1.5
370.16943	3.1
378.17593	1.5
464.21082	2.9
472.61380	1.2
482.22226	5.7
500.11734	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10987	4.0
53.03931	8.2
55.01855	6.2
55.05502	34.3
57.03421	23.8
57.07060	11.6
61.02913	55.4
65.03906	3.5
67.05495	93.6
68.29695	3.1
69.03423	33.2
69.07053	37.2
70.06612	3.8
70.38251	17.9
71.01341	5.8
71.04975	5.3
71.08596	7.1
73.02902	21.4
79.05480	30.0
81.03408	27.7
81.06599	5.0
81.07045	98.4
82.06594	3.8
83.04950	9.0
83.08614	23.4
85.02425	6.1
85.02892	59.1
85.06518	5.2
87.04470	4.3
91.03938	30.8
91.05477	24.3
93.07024	30.6
95.04977	6.8
95.08598	64.0
97.02878	51.2
97.06515	7.9
97.10139	9.8
99.04419	8.6
101.02361	14.9
103.03925	7.0
105.07034	18.4
107.08567	19.6
109.02853	7.8
109.06497	6.9
109.10129	28.4
111.08007	3.7
115.03932	5.1
119.08569	21.3
121.10108	18.4
123.08022	4.3
123.11692	11.7
127.03898	23.4
129.05479	5.5
131.08540	9.8
133.10107	10.6
135.11653	13.4
137.05905	9.4
137.13220	9.0
145.04922	11.6
145.10062	4.2
147.11668	7.5
149.13225	5.8
153.01826	8.8
161.13280	8.1
163.14774	6.6
165.12682	5.3
175.03969	4.8
175.14786	6.8
175.41559	3.8
201.07495	9.0
245.22598	12.4
259.23987	4.2
263.23685	25.9
301.03116	3.5
302.04102	6.1
315.15848	77.2
316.16144	3.9
317.74478	4.0
327.04990	14.7
337.23453	7.3
337.27307	100.0
355.82706	4.8
371.25708	5.5
420.20786	4.2
445.30209	4.5
450.05106	3.7
463.30536	6.7
481.18146	6.1
481.31622	10.9
499.19519	14.4
499.32336	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.6
55.01857	4.5
55.05504	22.5
57.03428	22.8
57.07061	9.4
60.08151	8.3
61.02917	61.4
61.08501	3.8
64.25539	2.8
65.03922	3.3
67.05495	82.6
69.03414	31.7
69.07056	27.4
69.39560	2.6
71.01345	4.3
71.04999	5.8
71.08620	7.2
71.41955	4.1
71.42275	2.9
73.02910	24.2
79.05482	27.9
81.03405	19.0
81.07043	86.4
83.04973	4.3
83.08612	25.0
85.02888	64.4
85.03379	4.4
85.06534	3.2
86.09692	23.0
86.73775	3.3
87.04462	4.0
87.10026	8.4
88.27559	3.0
90.93468	2.7
91.03947	33.8
91.04986	2.8
91.05460	19.5
93.07032	28.9
95.04928	6.1
95.08584	64.7
97.02876	52.8
97.06518	4.2
97.10153	8.8
99.04450	6.6
101.02367	12.1
103.03930	11.4
103.37179	3.2
104.10734	44.1
105.07017	16.1
105.11054	17.6
106.11198	6.9
107.08570	18.3
109.02869	7.3
109.10134	29.4
111.04447	3.5
111.08097	3.3
115.03889	3.1
117.05499	4.5
119.08548	13.8
121.06553	3.5
121.10123	17.6
122.99052	2.7
123.11703	11.5
124.99983	15.4
127.00404	4.9
127.03899	24.2
129.05521	5.4
131.08545	5.5
133.10115	14.4
135.11661	8.0
137.13261	3.1
143.08543	5.3
145.04944	9.5
147.11670	9.3
149.13243	6.7
151.14780	3.0
153.01773	4.6
161.13264	5.8
163.14778	8.1
175.14842	4.2
184.07330	27.8
185.07707	17.9
186.07791	19.9
187.08125	5.4
197.60432	2.9
201.07562	6.1
238.93430	2.8
245.22679	11.5
263.23697	21.4
280.80075	3.3
317.24564	3.4
327.04962	13.5
337.27304	100.0
445.29617	4.4
481.18610	6.0
481.32700	7.0
499.33701	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20076	0.3
52.73278	0.3
53.72345	0.3
55.01838	0.3
55.05496	1.7
57.07066	5.6
59.76023	0.3
67.05496	3.1
68.99773	1.5
69.07050	1.8
70.28847	0.4
70.96851	0.7
70.97203	0.5
71.08621	7.5
79.05441	0.5
81.07040	5.2
83.08550	0.9
85.10164	3.9
86.58509	0.3
95.08591	5.5
111.00769	1.7
115.05420	0.3
123.04372	0.5
131.04871	0.4
137.02290	0.6
137.13135	0.3
140.46759	0.3
144.74170	0.3
147.04425	1.5
153.01802	16.3
155.14320	2.8
161.02341	1.5
161.05873	0.7
163.03833	1.4
165.01759	1.9
169.06442	0.3
173.02246	1.0
173.05908	0.6
175.03940	0.6
181.06369	0.5
183.02812	0.5
183.04330	0.4
185.05936	0.6
187.03876	1.7
189.05376	0.6
191.03270	1.0
197.05931	1.1
199.03812	0.6
201.05397	0.7
203.03336	1.3
211.03798	0.5
215.03322	1.2
215.06848	0.5
217.04901	0.9
219.02745	0.7
224.04825	0.3
225.05434	1.0
229.04909	0.9
235.97748	0.3
237.05344	0.8
239.03450	0.4
239.11316	0.3
241.04762	0.4
242.05672	0.9
243.02835	2.0
243.06525	0.8
252.03979	0.9
253.04924	6.5
256.93634	0.4
257.04337	0.5
259.05768	0.3
265.04852	1.1
266.05884	0.4
269.04425	1.2
270.05099	1.1
271.06015	1.7
280.03778	0.3
281.04407	14.7
282.04953	0.6
285.03897	2.3
293.04218	0.6
295.05872	0.9
297.03879	1.9
298.04675	9.3
299.05417	7.5
307.05789	0.3
309.03970	4.1
311.05438	7.8
313.03336	1.5
315.05078	0.6
323.05423	1.2
326.03992	0.5
327.04932	100.0
328.05237	1.8
339.04855	0.5
341.06427	0.4
343.04504	0.8
345.06006	4.0
348.64944	0.3
435.17953	0.9
453.19028	4.8
463.17380	3.3
481.18524	53.7
482.18613	1.0
499.19446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92745	0.4
53.76715	0.4
55.05463	1.3
57.07067	7.5
67.05494	3.6
67.18398	0.3
68.99789	1.8
69.00094	0.4
69.07067	2.2
69.53907	0.3
70.02931	2.3
71.08621	7.5
79.05455	0.8
79.77463	0.3
81.07047	5.1
81.67902	0.3
83.08590	0.7
85.10172	4.2
87.16417	0.4
95.08580	6.3
111.00802	2.0
123.04373	0.4
137.02257	1.2
137.13217	0.9
139.03844	0.6
141.06848	0.5
147.04364	1.4
153.01807	19.0
153.12637	0.4
155.14308	2.6
157.06529	0.4
159.04381	0.8
161.02312	1.3
161.05991	0.4
163.03836	1.2
165.01756	1.3
171.04297	0.5
172.29765	0.4
173.02310	1.5
175.03894	1.0
175.12030	0.4
181.01285	0.4
183.02866	0.6
183.04344	0.6
185.05959	0.5
187.03882	1.3
189.05402	0.5
191.03322	0.8
197.05927	1.3
199.03835	0.6
201.05486	0.6
203.03363	1.3
211.03740	0.5
213.05327	0.6
215.03403	1.0
217.04926	0.7
219.02823	1.0
225.05489	1.1
229.04959	1.1
237.05444	0.7
242.05782	0.7
243.02895	2.0
243.06485	0.7
252.04037	0.8
253.04956	7.4
257.04288	0.7
265.05002	1.9
269.04437	1.7
270.05072	1.1
271.06003	1.0
277.78595	0.4
281.04401	15.5
282.05042	0.7
285.03958	2.5
293.04517	0.5
295.05942	0.7
297.03918	2.5
298.04709	10.1
298.08029	0.7
299.05457	8.1
303.05191	0.5
309.03851	4.0
311.05441	8.8
313.03323	2.5
315.04953	1.2
323.05508	1.6
326.04242	0.6
327.04944	100.0
328.05215	2.4
337.03442	0.4
339.04959	0.6
341.06522	0.6
343.04437	0.7
345.06030	5.4
435.17963	0.7
453.19086	6.7
463.17410	4.5
481.18533	62.4
482.18948	2.9
499.19443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01713	0.3
55.05502	1.7
56.22126	0.3
57.07066	6.4
58.31049	0.3
67.05481	2.8
68.99770	1.5
69.07057	2.2
71.08624	7.0
76.22994	0.4
79.05473	0.7
81.07041	5.8
83.08587	1.0
85.10160	4.0
90.31705	0.3
91.05469	0.4
93.07038	0.4
95.08591	6.7
95.51270	0.3
98.20698	0.6
103.72173	0.4
105.06989	0.4
109.02932	0.4
111.00753	1.7
114.48154	0.3
131.04855	0.4
137.02309	1.1
137.13202	0.5
139.03851	0.6
145.02878	0.4
147.04352	1.4
153.01804	14.0
155.08546	0.4
155.14253	2.4
157.06363	0.4
159.04330	0.6
161.02284	1.8
161.05946	0.5
163.03899	0.8
165.01813	1.6
169.06412	0.5
171.02902	0.4
173.02328	1.0
173.05977	0.4
175.03902	0.8
183.02873	0.6
185.05949	0.7
187.03865	1.7
189.05461	0.5
191.03333	0.5
197.05989	0.9
199.03902	0.7
201.05542	0.5
203.03360	0.9
205.04941	0.3
213.05415	0.6
215.03320	1.0
217.04852	0.6
219.02847	0.5
225.05421	0.9
229.04976	0.7
237.05411	1.0
239.03561	0.4
242.05788	0.9
243.02907	1.8
243.06508	0.7
252.04149	0.4
253.04912	5.6
257.04446	0.6
265.04852	0.9
269.04456	1.4
270.05261	1.0
271.05917	1.4
280.03867	0.4
280.06985	0.3
280.94638	0.3
281.04398	12.6
282.05167	0.6
285.03873	2.6
287.05295	0.4
295.06024	0.8
297.03937	1.1
298.04675	7.3
299.05469	6.8
303.05124	0.4
309.03885	3.5
311.05438	6.0
313.03406	1.1
315.04977	0.7
323.05496	1.0
327.04941	100.0
328.05347	2.5
337.03278	0.5
339.04843	0.5
345.06052	3.4
435.17871	1.0
453.19037	3.9
463.17352	2.8
481.18524	41.2
482.18845	1.4
499.19916	0.7
499.26553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.6
57.07066	7.8
67.01846	0.8
67.05484	3.9
68.89478	0.6
68.99780	3.8
69.07059	4.2
69.92101	1.5
69.92500	3.5
70.68780	0.6
71.08618	8.9
73.80869	0.6
79.05468	0.8
81.07052	6.5
83.08586	1.0
85.10157	3.4
95.08599	6.3
111.00772	3.3
139.03870	1.0
143.04901	0.7
147.04379	2.3
150.67043	0.8
153.01790	38.2
155.14258	1.1
161.02304	1.8
161.05917	1.7
163.03847	1.3
165.01862	1.9
171.04346	1.0
173.02284	1.1
173.05911	0.9
175.03951	1.5
177.05428	0.7
185.05914	0.9
187.03870	2.9
189.05432	3.7
191.03307	1.1
197.05901	1.0
201.05437	0.9
203.03384	2.7
211.07500	0.9
213.05460	0.9
215.03363	2.0
217.04834	1.1
219.02887	1.3
225.05394	2.1
229.04897	2.1
236.13545	0.9
237.05428	0.8
239.03415	0.9
241.04813	1.1
242.05820	1.5
243.02808	2.5
243.06624	0.8
253.04897	9.9
257.04376	1.9
265.04822	1.6
269.04446	1.7
270.05127	0.9
271.05911	2.6
281.04361	17.5
282.04965	0.8
285.03967	4.1
293.04413	1.1
295.05975	1.7
297.03793	3.3
298.04630	12.0
299.05392	10.8
300.05667	0.8
309.03876	4.4
310.04672	1.3
311.05432	17.3
313.03336	3.7
313.06754	1.3
315.04996	1.0
319.05832	0.8
323.05325	3.8
326.04379	0.8
327.04929	100.0
327.15784	2.5
328.05203	2.4
337.14386	0.8
339.04926	2.0
341.06586	1.2
345.06018	4.9
365.06644	1.1
435.17856	1.3
453.19019	10.6
463.17285	7.1
481.18497	70.5
482.19031	2.1
499.19363	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.8
55.05495	2.6
57.07063	6.6
65.86488	0.5
67.01844	0.8
67.05491	4.3
68.99779	3.6
69.03391	0.6
69.07056	4.6
71.08286	0.7
71.08620	7.1
71.50109	1.0
79.05470	1.7
81.07047	6.6
81.98363	0.5
83.08588	1.5
85.10151	3.0
91.05451	0.5
91.15392	0.5
93.07011	0.7
95.08581	5.8
97.18024	0.5
101.47840	0.6
111.00771	4.3
115.05495	0.6
131.04852	0.6
143.04947	0.7
145.02892	0.8
147.04362	2.4
153.01796	37.3
153.12711	1.7
155.14256	1.7
157.06525	0.6
159.04324	0.6
161.02367	0.5
161.05907	0.9
163.03900	2.0
165.01784	0.6
169.06435	0.6
171.04314	0.7
173.02315	1.8
173.05946	1.2
175.03894	1.4
181.06429	0.6
183.04381	0.8
185.05862	0.9
187.03885	2.3
189.05389	3.4
191.03348	1.4
197.05952	2.1
201.05498	0.9
203.03381	2.0
211.03937	0.7
211.07584	0.5
213.05368	1.8
215.03307	2.5
215.06775	0.6
217.04869	0.9
219.02820	1.8
225.05392	2.8
229.05025	2.7
237.05460	3.0
239.03322	0.9
241.04863	1.1
242.05669	0.9
243.02905	3.1
243.06213	0.6
252.04077	0.6
253.04926	12.3
257.04385	1.6
265.04926	5.6
266.05386	0.5
267.06390	0.9
269.04330	1.0
270.05090	0.6
271.05975	1.9
281.04391	42.1
282.04926	1.1
285.03876	6.7
287.16422	1.6
293.04300	2.7
295.05942	1.7
297.03964	5.3
298.04672	8.0
299.05432	8.2
309.03879	11.8
310.04471	0.5
311.05420	38.6
312.05643	0.9
313.03488	2.6
315.04962	1.5
322.04007	0.6
323.05518	3.2
327.04922	100.0
327.15598	4.3
328.05206	1.7
329.17365	0.7
337.03345	1.4
337.14261	0.8
339.04865	1.1
341.06305	1.0
344.04852	0.8
345.05966	8.3
351.04858	0.7
355.15170	0.7
363.04941	0.7
365.06476	0.9
435.17856	3.9
453.19046	13.1
463.17590	6.5
481.18475	53.5
482.18716	1.4
499.19424	1.0
501.72540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01839	0.3
55.05502	1.0
57.07065	2.2
60.83859	0.2
65.61118	0.2
67.05502	1.3
69.07055	1.9
70.03674	0.6
70.04113	0.6
71.08620	2.0
73.78949	0.2
79.05493	1.0
81.03398	0.6
81.07048	1.7
83.04986	0.2
83.08598	0.6
85.10156	0.7
89.06004	0.4
91.05462	0.7
93.07026	0.7
95.04959	1.9
95.08602	1.4
97.06523	0.3
98.06023	0.2
105.07003	0.7
107.08567	0.3
109.02856	1.5
109.06485	0.6
109.10123	0.4
119.08511	0.3
121.06475	1.7
123.04395	1.6
125.05944	0.4
133.10132	0.3
137.05969	0.4
176.62416	0.2
207.17395	2.0
235.16849	1.4
249.18466	2.0
261.18359	0.2
344.25845	1.0
361.30945	100.0
362.31372	1.7
498.25897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.6
56.32803	0.5
56.79286	0.4
57.03424	0.7
60.62482	0.5
61.02898	1.0
65.03941	0.5
67.05478	2.3
69.03429	3.6
69.07056	36.4
69.12330	0.5
70.06563	0.7
70.13201	0.4
70.23579	2.2
74.61973	0.6
79.05478	1.2
81.03381	1.8
81.07039	3.4
83.04977	0.6
84.00452	0.4
85.02888	6.2
91.05473	0.8
92.04985	0.8
93.07019	0.7
94.06548	1.8
95.04939	1.2
95.08588	0.9
96.08083	0.6
97.02883	3.1
97.06516	8.0
98.09659	0.6
99.04415	0.7
100.11267	0.7
105.06989	0.6
107.04921	1.2
107.08553	0.7
108.04485	0.6
109.02853	1.5
115.05422	0.6
119.08533	0.5
121.05260	0.6
121.06509	0.5
122.06017	4.0
123.04398	1.2
124.07562	1.7
127.03898	2.2
133.10085	0.7
137.02269	1.5
137.05948	1.4
137.09541	1.0
138.05473	2.8
140.07039	4.9
144.08102	0.9
145.04976	0.6
145.08870	1.1
146.09592	1.7
150.05473	43.7
153.01805	17.4
153.03059	0.9
153.05447	12.8
157.08759	0.8
161.08348	2.5
162.09105	1.9
163.03870	2.3
165.04199	0.7
166.04971	11.8
168.06569	1.2
172.07549	0.8
172.11143	2.6
173.08324	1.1
174.09109	0.7
174.12781	3.4
175.03923	0.5
176.03391	2.4
178.04918	1.5
182.15378	1.2
185.08371	0.9
188.10695	0.8
190.12241	4.2
191.14177	0.6
194.04430	1.4
195.06503	1.8
198.14899	0.6
200.10683	3.4
202.12224	4.3
206.11603	0.8
210.14830	1.4
213.05426	0.7
213.33548	0.5
216.10205	3.1
218.08186	1.0
218.11740	13.6
223.03899	1.4
226.08571	0.7
228.10176	9.5
229.04903	1.0
229.13420	1.2
230.11696	0.7
234.11198	2.3
237.05453	1.9
239.03416	0.6
241.04842	1.1
243.02834	0.6
243.11319	0.5
244.09663	1.3
245.12907	0.8
246.11218	11.9
249.05475	0.9
251.03484	0.9
253.16028	0.6
255.06566	1.0
255.11272	1.0
256.09738	0.8
257.04330	0.9
257.09302	1.1
261.03043	0.5
261.12192	0.9
265.04904	2.0
269.04413	1.9
271.02655	1.1
271.10797	2.6
272.09116	1.8
273.12402	1.3
274.10617	2.0
281.04248	0.9
283.05972	7.0
285.03885	3.0
287.10233	6.3
289.11694	6.3
290.10211	1.2
293.04645	0.5
295.06009	1.1
299.05450	0.6
299.10202	4.4
303.04919	13.2
304.05109	0.7
311.05475	0.9
313.03384	24.6
313.06760	1.4
314.03726	1.5
317.11276	21.5
318.09512	1.0
321.04019	0.7
323.05368	1.1
328.02151	0.7
335.12308	100.0
336.12552	1.6
339.05038	2.2
343.04263	0.9
355.04614	2.2
373.07123	0.6
382.23230	0.8
387.07050	6.2
388.07306	0.6
423.06973	1.4
447.07111	6.0
465.08044	4.0
497.10333	3.4
497.17569	4.1
497.33316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.7
55.05479	0.5
56.66280	0.2
61.51115	0.2
65.03904	0.7
67.05497	1.3
69.03394	0.9
69.50564	2.8
70.06570	0.3
77.33030	0.2
81.03367	0.7
81.04521	2.6
81.07005	0.3
83.04939	1.1
85.02862	0.5
93.03396	0.6
95.04957	2.7
98.21460	0.6
100.94863	0.3
105.03316	0.3
109.02824	0.6
109.03960	0.4
109.10098	0.3
111.04439	1.3
121.02873	0.6
123.04396	0.7
127.03939	0.4
127.04993	1.1
131.05002	0.3
133.02803	0.7
137.02281	0.7
139.03862	0.7
141.06943	0.9
147.04344	0.6
152.06070	0.3
153.06926	0.4
155.08542	0.6
161.02274	0.4
163.03926	1.4
165.06972	9.8
166.07086	0.3
167.76895	0.2
168.05585	0.4
169.06493	0.4
176.06158	0.4
177.07011	0.8
179.04874	0.4
181.06422	0.7
183.07919	1.2
187.03822	1.0
193.06448	8.5
194.07329	0.4
195.07961	0.5
197.05951	1.4
201.03731	0.4
203.03223	0.3
203.04904	0.9
205.06448	1.9
207.04361	0.3
210.06659	0.6
211.07507	3.8
220.05164	0.3
221.05928	33.8
222.06448	0.8
223.07489	0.8
225.05354	1.5
231.04509	0.7
233.05936	1.2
237.05412	0.4
238.06253	0.4
239.06973	7.6
248.04567	0.3
249.05421	40.6
250.06123	1.7
251.07033	1.4
253.04904	0.8
253.08162	0.9
259.03885	2.5
261.05487	0.4
266.05649	0.4
267.06470	8.5
271.09216	0.6
277.04904	19.2
278.05585	1.1
279.06488	5.1
281.04352	0.4
287.10141	0.7
289.10345	0.6
295.05948	69.9
296.06375	0.7
297.07462	0.9
305.04333	5.1
307.05954	1.8
309.38333	0.3
317.11310	0.4
323.05432	100.0
324.05872	0.9
335.12207	0.3
341.06470	0.6
465.03561	0.3
479.09692	0.5
497.10681	22.4
498.10992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95599	0.3
53.03922	0.5
55.01851	0.7
55.05478	0.6
65.03897	0.8
67.05491	2.0
68.99750	0.4
69.03383	0.8
70.09505	0.9
70.09917	0.4
72.72974	0.2
81.03375	0.7
83.04972	1.7
85.02848	0.5
86.06016	1.0
93.03390	0.5
95.04387	0.3
95.04946	3.5
97.02839	0.5
105.04436	0.3
109.02818	0.5
111.04412	1.5
111.65235	0.2
114.92570	0.3
121.02810	1.0
123.04390	1.1
126.30231	0.3
127.03897	0.5
131.04878	0.3
133.02798	0.6
135.04346	0.3
137.02316	0.5
139.03844	1.3
141.06923	0.8
147.04353	0.3
151.03877	0.3
153.06978	0.5
155.08484	0.8
156.06569	0.3
159.04388	0.3
160.05164	0.3
161.02281	0.4
163.03911	1.4
164.06868	0.3
165.01775	0.4
165.06969	8.9
169.06400	0.7
174.07465	0.3
176.06187	0.4
176.20827	0.2
177.06921	1.2
179.03412	1.5
179.04758	0.4
181.06421	0.6
183.07950	0.8
187.03883	0.7
192.05753	0.3
193.04684	0.5
193.06447	9.8
195.08055	0.4
197.05923	1.9
201.03932	0.3
203.03250	0.3
203.04924	1.0
205.06439	2.3
207.04414	0.4
210.06714	0.6
211.07487	4.3
220.05219	0.4
221.05928	36.4
222.06485	0.6
223.07558	1.2
225.05394	2.0
231.04391	0.9
233.05939	1.1
238.06186	0.5
239.06981	8.4
249.05420	41.3
250.06013	1.2
251.06963	1.8
253.04903	0.8
259.03876	2.2
266.05753	1.1
267.06464	9.9
269.08069	0.6
277.04901	18.9
278.05597	1.1
279.06491	5.9
281.04489	0.7
294.05225	0.6
295.05954	73.9
296.06244	1.1
297.07520	0.8
305.04385	4.9
307.05951	1.7
313.06979	0.5
317.11554	0.3
317.20609	0.8
323.05432	100.0
324.05698	1.5
335.21860	0.4
341.06650	0.5
479.09836	0.8
497.10712	25.7
498.11292	0.3
500.05609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01834	0.7
55.05488	0.6
65.03907	1.0
67.05489	2.1
69.03385	0.9
70.06548	0.4
71.57765	0.5
72.71992	0.2
77.18089	0.2
81.03378	0.7
81.91907	0.2
83.04955	1.9
85.02851	0.4
86.09657	0.3
93.03351	0.7
95.04402	0.3
95.04955	3.6
109.02813	0.7
111.04397	1.5
121.02828	0.6
123.04375	1.0
124.07538	0.3
127.03864	0.9
133.02815	0.7
136.07553	0.3
137.02293	0.6
139.03868	1.0
140.10052	0.3
141.06940	0.8
144.08018	1.1
147.00763	0.3
147.04318	0.5
151.03868	0.3
153.06950	0.7
155.08495	0.5
161.02261	0.5
163.03873	2.0
165.06970	9.4
168.05716	0.3
169.06482	0.7
176.06038	0.6
177.06929	0.9
181.06454	0.6
182.93549	0.3
183.07973	0.8
184.09720	0.3
187.03859	0.8
192.05725	0.4
193.06456	10.0
195.07961	0.5
197.05899	1.7
201.03885	0.3
202.10719	0.7
203.03261	0.4
203.04861	0.6
205.06413	2.1
207.04398	0.6
210.06685	0.5
211.07491	3.2
214.26485	0.3
220.05267	0.3
220.11681	0.4
221.05936	37.7
222.06340	0.6
223.07513	1.3
225.05428	1.5
231.04372	0.9
232.05029	0.3
233.05821	1.3
234.06517	0.3
237.05460	0.3
238.06111	0.5
239.06987	7.4
249.05426	42.5
250.06110	1.8
251.06943	1.9
253.04921	1.3
259.03818	2.5
266.05713	1.0
267.06470	9.2
269.08029	0.5
271.10654	0.5
277.04913	18.2
278.05743	1.2
279.06500	5.1
281.04428	0.7
287.10138	1.7
294.05148	0.8
295.05966	75.1
296.06354	0.9
297.07547	1.0
299.10199	0.3
305.04407	4.5
307.05988	2.4
317.11276	0.9
323.05444	100.0
324.05719	2.0
329.14175	0.4
335.12274	0.8
341.06479	0.7
365.16470	0.3
479.09741	0.6
497.10718	24.3
498.11353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
55.41527	0.5
56.60345	0.6
57.07361	0.6
61.31808	0.5
65.03918	1.4
67.05486	0.8
70.01456	2.1
70.01865	1.2
71.90038	0.7
83.04968	0.9
85.02881	0.9
86.09616	0.7
91.05490	0.6
95.04953	0.7
97.02859	0.8
98.21367	0.8
100.70051	0.6
105.07026	0.7
109.02869	0.7
111.04415	1.2
121.02878	2.9
123.04425	1.0
123.96361	0.5
127.03851	0.8
128.92734	0.6
131.08545	0.9
132.76474	0.6
133.02829	0.9
133.10092	0.8
135.04306	0.6
137.02339	0.7
139.03920	1.1
145.10146	0.7
156.28194	0.6
163.03905	1.9
165.06961	9.1
173.02414	0.7
173.13258	1.8
175.14798	1.8
193.06464	9.0
203.04843	0.6
205.06459	1.7
207.04543	0.6
211.07512	2.2
221.05923	26.5
222.06288	0.7
223.07550	1.3
225.05371	1.4
229.04994	0.9
231.04387	0.8
233.05948	1.5
237.05418	0.7
238.24588	0.6
239.06934	6.6
249.05423	33.2
250.03308	0.6
250.06052	1.6
251.06918	1.4
253.04855	1.2
259.03806	1.3
266.05829	1.0
267.06476	8.0
277.04929	18.6
277.07965	1.4
278.05652	0.9
279.06558	4.1
284.35266	0.6
295.05960	46.0
296.06256	0.7
297.07761	0.9
305.04434	5.1
323.05444	100.0
324.05853	1.4
385.33057	0.6
447.07147	0.7
479.10211	0.7
497.23911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01822	0.7
55.05482	0.5
55.99694	0.4
65.03892	1.3
67.05489	2.3
67.15940	0.3
67.78443	0.3
68.77957	0.3
69.03385	1.1
70.76555	0.8
70.76962	0.6
71.04962	0.4
73.02073	0.3
81.03346	0.5
81.04531	1.8
83.04934	1.3
85.02879	0.8
85.07628	0.5
86.06052	17.0
86.09690	1.8
93.03342	1.2
95.04477	0.3
95.04952	3.8
97.02845	0.9
109.02823	0.9
109.10109	1.2
111.04404	2.5
120.15108	0.3
121.02808	0.7
123.04380	1.0
126.12746	0.8
127.03863	1.0
127.04972	1.6
133.02814	0.5
137.02271	1.1
139.03877	4.7
141.06941	0.7
144.13847	0.6
145.55321	0.4
147.04417	1.8
153.06969	0.5
155.08482	0.7
156.06523	3.4
162.14842	1.5
163.03947	1.6
165.06967	9.4
169.06451	0.5
173.09103	0.4
174.07607	1.9
176.06155	0.6
177.06947	1.0
181.06497	0.5
183.07942	0.8
187.03868	0.9
193.06450	10.6
195.07915	0.4
197.05943	1.3
201.03888	0.7
203.03320	7.2
203.04852	0.5
205.06462	2.1
210.06857	0.4
211.07512	3.5
221.05933	36.7
222.06470	0.4
223.07536	1.6
225.05344	1.6
231.04500	0.8
233.05870	0.8
239.06995	9.1
244.98357	0.3
248.04718	0.5
249.05426	42.4
250.06160	1.6
251.06941	1.8
253.04976	0.8
253.07964	0.8
259.03799	2.4
266.05588	0.9
267.03659	0.7
267.06485	9.2
269.07950	0.5
271.09149	0.6
277.04904	18.8
278.05585	1.0
279.06470	4.8
281.04318	1.0
287.10110	1.0
294.05188	0.4
295.05945	71.2
296.06238	0.5
297.07565	1.0
305.04391	4.4
307.05997	1.9
317.11255	0.8
317.20667	10.3
323.05444	100.0
324.05716	1.1
335.12195	0.6
335.21701	7.6
341.06528	1.6
359.07553	0.7
385.34067	0.3
479.09833	0.9
497.10712	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	496.378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07049	0.4
60.08155	2.5
64.39382	0.3
65.03925	2.8
67.05470	0.7
71.07353	1.5
71.08640	0.4
78.20747	0.3
79.05476	0.9
81.07024	1.3
86.09692	11.0
91.05465	50.8
93.06984	0.5
95.08593	0.4
98.98429	1.1
104.10723	2.4
105.07066	0.4
105.11068	0.6
106.06532	0.8
109.06498	2.9
117.47435	0.3
119.04924	26.4
121.06457	0.5
122.05988	0.5
124.99986	7.3
135.06808	1.3
137.05956	85.6
138.06360	0.4
148.07556	1.1
160.07617	0.4
184.07318	35.6
185.07639	0.4
186.07706	0.4
206.18976	0.5
248.20045	6.4
260.20160	1.3
274.21756	0.7
305.96948	0.4
324.12247	0.7
360.32547	70.7
361.32907	1.4
460.24481	0.5
478.32556	0.8
496.37848	100.0
497.38040	2.5
522.77002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25071	0.4
55.01880	0.5
55.05502	2.9
56.05014	1.5
57.03414	1.0
57.07069	5.0
58.06571	1.1
60.04514	10.0
65.03928	0.7
67.05487	6.8
68.05016	5.1
69.07060	5.1
70.02934	1.0
70.06569	0.6
70.10281	0.5
71.08617	5.7
71.26773	0.8
71.27097	0.9
72.04503	5.2
74.06056	0.5
79.05492	3.5
80.05019	1.9
81.03381	0.6
81.07043	7.7
82.06557	4.0
83.04968	1.0
83.08598	2.6
84.04476	0.9
85.10153	3.2
86.06050	4.6
88.07624	4.3
89.06013	4.5
91.05455	2.0
93.07042	2.6
94.06547	1.7
95.04966	1.1
95.08595	9.3
96.04480	1.1
96.08110	1.0
97.10140	1.2
98.06062	0.8
100.07581	0.8
105.07012	1.6
107.08599	1.2
109.10152	1.9
112.07555	0.7
114.05479	0.5
119.08558	1.2
121.10142	1.0
123.11647	0.8
124.07589	0.7
133.08595	2.0
133.10109	1.1
135.11679	0.7
148.54327	0.5
155.14275	1.5
166.00902	0.4
177.11247	1.2
194.19025	1.1
198.18494	8.3
210.18373	1.1
236.20010	0.8
238.92902	0.5
240.19540	14.3
240.45302	0.5
242.21098	2.6
245.22618	0.9
249.22966	0.5
263.23746	1.2
280.26425	0.7
283.17441	3.7
298.27487	1.5
306.27911	0.6
308.25839	1.7
324.28656	0.5
326.26865	7.4
478.42578	4.3
496.43552	100.0
497.43817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47631	0.1
55.05475	0.2
55.52406	0.1
56.05019	0.5
57.03418	0.2
57.07067	0.9
58.06623	0.5
60.08152	6.0
60.46245	0.1
61.83672	0.1
67.05491	0.3
69.07050	0.2
70.06586	0.2
71.07354	2.2
71.08622	0.8
81.07047	0.6
83.08609	0.2
85.10178	0.3
86.09689	27.8
87.10014	0.2
87.69922	0.2
89.06010	0.2
91.05460	3.9
95.08591	0.5
98.98445	2.3
99.01785	0.1
104.10721	2.8
104.77452	0.1
115.05449	0.6
117.80191	0.1
119.04929	1.8
121.06486	0.3
124.99979	19.0
129.44069	0.2
137.05959	9.3
143.01060	0.3
143.04884	1.4
151.07487	0.2
160.05165	0.4
162.05449	0.2
166.02585	0.2
175.07516	1.1
178.08687	0.2
184.07309	100.0
185.07664	0.7
190.08459	0.2
204.10124	0.6
207.08069	0.2
219.79953	0.2
229.87080	0.2
232.09596	0.3
246.11159	0.5
248.20035	0.6
258.10941	0.3
260.12909	0.2
264.06439	0.2
298.10513	0.2
299.12729	0.3
324.12228	0.5
342.16803	0.2
358.23514	0.4
359.24014	0.2
360.32547	5.5
478.32849	1.2
496.30777	4.5
496.37476	5.4
497.30692	0.2
510.13004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.8
55.01854	1.8
55.05499	1.8
57.03416	2.5
61.02907	1.7
67.05476	3.2
69.03423	11.7
69.07041	3.4
69.72741	2.6
69.73149	7.0
71.04966	3.0
71.08241	1.4
71.08620	22.5
73.02895	2.6
79.05452	1.4
81.03401	14.6
81.07031	3.8
82.08916	1.1
83.08601	1.7
85.02888	73.9
87.04437	1.6
91.05461	3.5
93.07014	2.9
95.04903	2.5
95.08540	1.8
97.02299	1.9
97.02873	20.0
99.04438	37.6
99.08080	41.7
103.03922	100.0
105.03367	6.2
105.06984	3.0
106.03732	1.5
107.05003	2.1
107.08561	1.5
109.02858	13.2
109.06517	1.2
109.10105	1.2
111.04401	1.2
115.03944	1.3
117.07094	1.2
119.08532	1.4
120.08076	1.5
121.02837	5.3
127.03893	99.0
128.04160	1.3
129.12755	5.6
133.10075	1.8
137.05960	1.3
145.04930	57.9
155.08539	2.2
155.14268	1.2
163.05992	73.7
164.07034	4.3
169.04756	1.2
173.15355	23.8
187.05960	5.6
193.12163	1.4
194.12537	1.6
205.07039	5.3
211.13220	2.0
212.13448	1.7
223.09644	1.2
240.03671	1.1
271.08051	6.0
288.54993	1.2
289.09076	5.2
306.09171	1.5
307.06976	1.5
307.10208	17.4
326.12289	1.5
334.09128	1.3
443.22153	1.5
449.81445	1.1
478.28012	1.6
496.12952	1.2
496.29248	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	496.3388
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.27917	0.4
56.05009	1.0
57.03422	0.5
57.07059	2.8
58.06591	1.2
60.08150	14.4
67.05483	0.6
68.61009	0.3
69.07043	0.7
69.92377	2.6
69.92733	0.4
71.07357	6.2
71.08615	2.2
80.75549	0.4
81.07030	0.5
83.08592	0.6
85.10147	0.5
85.68512	0.4
86.09689	44.1
95.08591	1.0
98.98442	2.4
100.96426	0.4
102.11708	0.4
104.10721	100.0
105.11044	1.2
110.80798	0.4
124.99982	23.4
127.95673	0.4
163.01576	0.9
184.07307	96.8
185.07658	1.6
258.11066	1.2
283.85825	0.4
313.27271	1.6
383.82883	0.4
478.32892	10.1
496.33914	39.0
497.34256	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33980	0.6
55.05479	2.9
56.05009	0.8
57.03422	0.9
57.04998	0.7
57.07046	1.2
60.04503	1.1
61.01124	1.3
66.25494	0.6
67.05492	12.4
68.99774	2.1
69.03409	2.0
69.07050	3.5
70.06577	7.6
71.04979	5.0
71.06071	0.7
71.81512	0.9
72.04486	1.7
72.08109	0.9
77.00587	1.2
78.03762	2.4
79.05473	8.9
81.03400	1.5
81.06593	1.4
81.07041	18.1
83.04989	0.8
83.08588	2.2
85.02869	2.6
85.06532	5.5
86.06050	65.3
86.09672	2.1
87.02670	6.9
87.04446	0.9
89.00599	1.2
90.03763	1.1
90.86677	0.7
91.05454	4.5
93.07021	11.0
95.04935	2.9
95.08582	16.0
97.02859	1.5
97.06512	1.3
97.10145	1.7
98.06029	9.3
99.04379	1.0
99.08071	1.7
101.04220	1.2
102.03738	6.6
105.03374	1.7
105.07001	3.7
107.04916	0.7
107.08560	8.2
109.02837	2.2
109.10126	3.6
111.08005	1.3
112.07581	5.1
113.04220	1.8
113.05992	1.1
114.03705	1.5
115.03878	0.9
115.05721	0.8
115.08666	26.1
116.07014	0.9
118.03204	1.8
119.08575	3.4
120.04784	2.0
121.02890	0.7
121.10110	9.2
122.05959	0.7
123.11705	1.3
124.07584	1.5
124.80270	0.8
125.07087	3.2
127.03857	2.3
127.05737	1.1
130.08664	0.8
131.06351	1.3
132.04759	2.0
133.10086	1.7
135.11682	2.9
136.07582	0.7
137.05940	1.6
137.09625	0.8
139.00259	4.5
140.07016	3.0
141.06503	1.5
141.16333	0.7
142.08600	6.3
143.06323	1.0
145.04994	0.8
147.04466	0.8
147.05823	5.7
149.05965	4.7
149.07411	7.0
149.09625	0.8
151.03918	4.8
153.01796	1.0
153.12737	0.8
161.13174	1.2
163.03990	0.9
163.14827	5.4
165.06966	0.9
171.72401	0.7
181.15857	2.7
184.09750	3.5
185.00682	1.0
185.47963	0.6
186.68909	0.8
186.90186	0.7
195.12001	0.8
213.13028	4.4
221.05928	1.9
227.13866	1.0
231.14098	3.9
235.03897	0.8
237.05370	1.4
241.16196	4.2
251.03275	0.9
258.18781	0.7
259.17270	0.8
265.04932	1.2
272.03107	0.9
287.05533	7.5
303.04889	1.2
311.21521	2.5
315.04919	11.9
316.05164	1.3
321.03882	13.6
321.73840	0.7
322.04141	1.3
329.06604	0.9
329.22476	17.7
333.05978	21.0
334.06418	1.6
337.63193	0.8
339.04868	6.8
347.23590	32.8
365.24631	100.0
366.25027	1.7
398.35861	0.7
441.27670	1.0
459.28757	4.3
472.90717	0.8
477.29843	32.5
478.30219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.4
55.05262	1.8
55.05501	20.9
55.94703	1.5
56.59933	1.4
57.03433	10.0
57.07069	2.5
64.53316	1.3
65.03922	3.0
67.05490	34.0
68.99784	10.4
69.03409	5.7
69.07043	10.6
69.46204	14.8
71.01309	1.5
71.04980	9.9
72.22858	1.4
72.87605	1.6
73.02857	1.6
73.06586	1.4
77.03907	1.7
79.05477	38.3
81.03400	65.7
81.07037	37.9
83.04955	19.6
83.08599	25.0
85.02888	28.4
85.06526	2.5
91.04903	3.2
91.05459	46.3
93.07025	23.9
95.04380	2.6
95.04949	35.1
95.08583	16.5
97.02886	4.0
97.06509	6.2
97.10141	5.7
98.20679	2.0
99.08047	2.2
103.05431	6.0
105.03372	36.4
105.07009	43.9
106.03689	2.1
107.04927	14.8
107.08582	11.9
109.06488	6.4
109.10131	8.6
111.04408	5.1
111.08041	9.6
113.05965	3.8
115.05420	4.5
117.06982	3.9
119.08559	23.8
120.08077	6.2
121.02833	31.5
121.06507	7.0
121.10112	9.5
122.06034	1.8
123.08038	4.5
123.11700	3.1
125.05049	1.4
125.05988	1.6
125.09606	4.0
125.87074	1.5
127.28616	1.4
129.06985	13.2
131.04913	1.4
131.08524	11.0
133.06454	6.5
133.10115	11.4
135.04388	11.9
135.08066	2.1
135.11629	3.4
137.02321	8.2
137.09618	3.9
139.00238	15.3
139.03876	1.5
140.18745	1.4
142.07761	3.8
143.08479	1.4
145.10051	4.8
147.07996	4.5
147.11667	15.7
149.09584	6.1
149.13243	1.7
153.01799	4.0
153.09012	1.6
157.10101	14.5
159.11639	1.6
161.05908	2.2
163.03844	2.3
163.11139	4.4
165.12753	4.0
169.01308	3.0
175.11165	15.4
177.05441	4.4
181.12033	1.7
193.08549	2.6
193.12207	55.9
193.13974	3.2
195.13823	1.4
211.13246	73.0
227.12717	2.8
240.10118	5.8
245.04459	1.9
253.08582	2.9
256.09570	1.5
257.04602	2.0
267.15836	16.7
273.03867	46.9
274.04434	3.4
285.04044	2.1
285.16965	6.5
287.05411	7.5
301.03384	59.5
302.03778	5.4
303.04910	36.0
304.05310	2.9
327.05038	7.6
356.12772	4.0
367.22516	1.9
374.13828	4.6
385.23370	3.4
403.24649	2.0
435.86023	2.0
451.26859	1.9
459.27200	10.5
463.17328	2.1
477.19009	1.8
477.21124	1.7
477.28299	16.9
495.12689	88.7
495.29352	100.0
496.13257	10.0
496.29709	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	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.4
53.03926	3.5
55.01853	5.0
55.05502	26.1
57.03188	1.4
57.03431	12.7
57.07048	2.0
57.60845	1.2
58.06531	1.3
59.04982	1.8
65.03915	2.9
67.05494	37.9
69.03408	6.1
69.07061	11.6
70.53229	5.8
71.04984	9.1
79.05012	1.7
79.05480	39.9
81.03406	79.1
81.07042	45.0
81.07525	2.3
81.45604	1.3
83.04964	17.5
83.08608	30.5
85.02894	42.6
85.06538	3.9
91.04905	2.6
91.05467	47.8
93.06510	1.2
93.07033	29.7
95.04951	38.1
95.08600	17.8
97.02865	3.9
97.06516	5.3
97.10152	10.0
99.04436	1.8
99.08038	1.3
100.11240	5.8
103.05448	1.6
105.03380	2.2
105.07016	38.2
107.04935	11.6
107.08578	12.9
109.06496	8.9
109.10146	7.0
111.04409	3.7
111.08064	10.9
113.05972	3.8
115.05413	2.1
117.06984	4.0
119.08568	21.9
121.06482	4.7
121.10127	17.9
123.08051	5.4
123.11723	3.1
125.05998	1.4
125.09599	3.6
129.06999	16.3
131.08556	15.1
133.06502	3.4
133.10117	17.3
135.08026	2.8
137.09573	2.1
139.11235	1.6
142.07744	4.2
145.06487	1.5
145.10092	4.1
147.08012	3.4
147.11659	19.5
149.09619	7.9
149.13197	1.4
151.11165	2.1
157.10098	18.3
163.03891	1.8
163.11180	2.9
165.12749	3.9
171.11821	1.5
175.11176	19.4
182.15343	2.1
189.09178	1.5
189.11194	2.4
191.14278	1.3
193.12227	60.7
195.06477	2.8
209.08051	1.8
210.14864	1.7
211.13260	92.3
219.13837	3.1
223.09674	1.7
231.14073	1.5
237.11124	2.1
249.11053	1.7
249.14830	1.8
259.15277	2.5
267.15936	17.6
285.16934	4.9
311.23337	1.7
359.22141	3.5
367.22736	2.5
385.23572	4.3
403.24628	2.3
433.25998	1.4
451.26602	1.8
452.90848	1.3
459.27347	5.9
477.27188	8.6
495.29385	100.0
496.29987	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68964	0.7
53.03931	3.2
55.01853	2.8
55.05235	1.0
55.05499	14.8
55.44339	0.9
57.03427	10.7
59.04977	1.3
65.03909	1.2
67.05126	1.5
67.05489	24.4
69.03409	3.7
69.07049	8.2
71.04973	4.3
71.06113	1.8
71.06487	1.4
79.05477	21.7
81.03401	65.1
81.07038	30.8
81.07518	1.6
83.04962	14.2
83.08603	24.9
85.02888	32.3
85.06515	1.9
85.64144	0.9
91.05462	34.5
93.07024	18.5
95.04945	27.7
95.08592	9.4
97.02876	3.3
97.06525	4.4
97.10155	4.6
99.08073	1.3
103.05481	1.2
105.07004	23.0
107.04936	7.8
107.08570	7.0
109.06493	4.9
109.10132	3.1
111.04449	2.9
111.08049	12.6
113.05997	2.8
115.05423	1.4
117.07010	2.0
119.04887	1.0
119.08549	17.3
121.06501	1.3
121.10113	9.4
123.08041	3.0
123.11692	2.0
125.09629	2.7
127.07529	1.1
128.06232	0.9
129.06989	11.2
131.08540	11.8
133.06467	3.0
133.10104	10.3
137.09601	1.6
142.07747	2.9
145.10126	2.5
147.08047	3.0
147.11664	14.7
149.09592	8.0
155.08554	1.4
157.10118	13.7
163.11169	1.5
165.12756	2.7
175.11154	13.8
189.11214	1.2
193.12204	56.7
194.12552	1.2
196.91681	1.0
211.13249	73.7
212.13510	1.9
267.15875	10.5
285.16888	4.9
319.41534	0.9
332.22778	0.9
367.22498	1.6
385.23782	2.4
397.66254	1.0
400.88626	0.9
403.24661	1.8
451.26663	1.4
459.27255	4.5
477.28302	8.7
495.29431	100.0
496.29709	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	495.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01868	0.7
55.05491	1.4
57.07042	0.6
65.03925	1.1
66.77032	0.5
67.05495	3.5
67.15422	0.6
69.07052	1.4
71.78980	0.8
79.05470	1.7
81.03383	0.6
81.07059	2.8
83.04943	0.8
83.08606	1.2
91.05457	4.0
93.07026	2.0
95.04953	2.9
95.08588	1.4
95.27514	0.5
99.42397	0.6
105.03374	20.3
105.07005	1.6
107.04938	1.4
107.08601	1.0
109.10144	1.1
111.04391	2.0
112.54053	0.5
117.06999	0.8
118.24835	0.5
119.08536	0.6
120.08083	7.6
121.02844	100.0
121.10176	1.3
127.60997	0.6
130.06488	0.7
131.08466	0.6
133.10095	0.8
135.11705	0.6
147.11696	0.6
153.01785	3.2
153.61269	0.6
159.11662	0.7
197.33521	0.6
236.10715	0.9
237.05498	1.9
239.09438	0.7
240.10152	41.9
258.11182	6.3
258.85562	0.8
265.05118	0.7
269.17389	0.7
281.53400	0.6
297.03708	0.8
298.04599	0.6
311.05496	2.3
323.05490	0.7
327.04886	1.3
341.17358	0.7
356.09210	1.3
370.76968	0.7
477.18292	1.2
477.28677	1.2
495.20782	2.9
495.29065	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.3
51.02367	0.5
51.73538	0.2
53.03935	2.8
55.05483	0.3
61.94853	0.2
65.03928	0.6
67.05491	0.6
68.99763	0.2
69.07045	0.3
71.80941	0.2
71.81378	0.4
77.03930	0.9
79.05479	1.9
81.03406	0.6
81.07015	0.3
91.05456	2.9
93.07008	0.5
95.04948	7.7
103.05441	0.8
104.04933	0.2
105.03371	100.0
105.07008	14.6
106.03709	0.5
107.04935	17.6
107.08523	0.2
111.04423	0.7
118.06534	0.3
119.04925	0.6
120.04439	0.4
120.08090	4.1
121.02841	34.4
122.06029	0.4
122.09653	2.1
127.03949	0.7
130.06508	0.8
134.05956	0.4
135.04391	8.8
135.06767	0.5
136.05170	4.4
137.02318	14.4
137.03386	0.6
141.07040	0.3
148.07570	0.4
150.98708	0.2
153.01791	1.1
169.06445	0.4
185.90063	0.3
187.03874	0.3
197.05922	0.3
199.07527	0.9
210.09091	0.9
218.09599	0.9
220.07564	0.4
224.10727	1.2
225.05498	0.4
227.06996	0.9
229.04977	0.9
236.10747	1.1
238.06485	0.3
238.08585	12.1
239.09367	35.3
240.10143	32.2
241.10463	0.5
243.06483	0.3
252.06537	2.4
253.04922	5.8
255.02809	1.0
258.11200	8.1
268.09659	3.3
270.07608	0.5
285.20963	0.3
298.04675	0.4
327.04865	0.5
344.38080	0.3
357.15933	3.6
362.13956	0.4
373.15341	0.3
374.10278	1.3
374.13892	15.2
376.11533	0.5
392.11093	0.4
477.18518	0.5
477.28726	0.3
495.19559	2.9
495.27438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
53.55767	0.3
55.05262	0.3
55.05498	4.1
57.03424	2.2
59.04969	0.5
65.03906	0.6
67.01853	0.5
67.05493	6.1
67.69715	0.3
68.99778	10.0
69.03394	1.0
69.07054	1.7
71.04989	1.6
71.79055	0.3
73.29217	0.3
79.05481	9.6
80.05791	0.3
81.03403	14.2
81.06604	0.6
81.07042	7.5
81.64605	0.3
83.04967	2.9
83.08145	0.4
83.08603	4.9
85.02892	6.8
85.06496	0.8
89.03901	0.8
91.04918	0.6
91.05463	10.0
92.05772	0.6
93.07030	5.9
95.04385	0.5
95.04958	7.7
95.08588	3.2
97.02863	0.5
97.06488	1.1
97.10139	1.3
103.05446	2.5
105.03394	2.0
105.07012	15.3
107.04921	2.7
107.08580	2.7
109.06473	1.3
109.10107	1.1
111.00773	0.8
111.04398	0.9
111.08068	2.4
113.05976	0.7
115.05453	3.3
117.03332	0.8
117.06970	0.8
118.04134	1.0
119.04923	0.5
119.08562	4.8
120.08080	0.8
121.02847	4.5
121.06487	3.8
121.10108	2.2
123.00730	0.5
123.08028	0.8
123.11682	0.7
125.09648	0.4
127.07607	0.3
129.07001	2.8
131.04883	0.9
131.08534	2.3
133.06464	6.1
133.10124	2.9
135.04393	13.9
135.08057	0.3
135.11665	0.7
135.12683	0.3
137.01270	0.4
137.02319	6.7
137.05910	0.9
137.09563	0.8
139.00238	17.3
139.03841	0.4
143.04921	0.4
143.08531	0.3
145.10065	0.8
147.04367	1.1
147.08006	0.8
147.11685	3.3
149.05939	1.3
149.09567	1.1
151.00235	0.5
151.07355	0.3
153.01807	0.7
153.06825	0.4
157.01305	1.9
157.10075	2.4
159.04329	0.4
161.02330	0.9
161.05991	2.8
163.03873	2.8
163.07533	0.3
163.11143	0.8
165.01825	0.8
165.12738	0.8
167.06999	1.4
169.01280	2.9
171.04359	0.7
175.03870	0.3
175.11177	2.9
177.05432	3.8
178.06204	1.2
179.03419	0.3
180.07790	0.4
181.08522	0.4
183.02866	0.4
185.02260	0.7
189.05441	0.4
189.11154	0.4
193.04901	0.5
193.08575	2.5
193.12212	10.8
194.09328	1.0
194.12648	0.4
195.10066	0.4
203.03296	0.8
209.08055	0.5
209.11649	0.3
211.13268	13.5
212.13684	0.4
221.04436	0.8
227.03453	1.5
240.10132	0.8
245.04393	1.9
255.02881	0.7
257.04376	1.2
267.15891	4.0
273.03891	52.0
274.04279	1.3
285.03986	1.4
285.16797	1.7
286.04602	0.7
287.05481	6.9
288.05713	0.4
295.05930	0.4
299.05615	1.9
301.03381	62.5
302.03922	3.8
303.04941	39.7
304.05307	1.4
313.06967	0.9
326.04132	0.3
327.04929	8.0
341.06458	1.8
374.13858	1.4
385.23660	0.6
403.08057	0.4
405.06119	0.5
419.07233	0.4
421.09338	0.4
422.06165	0.5
423.07126	0.4
435.07040	0.4
437.08658	1.1
459.27048	1.5
463.10132	0.7
467.16779	0.5
477.28290	2.6
495.12772	100.0
495.29056	17.7
496.06607	0.5
496.13162	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	494.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64114	0.3
54.98321	0.3
55.04651	0.3
55.05505	0.5
57.07066	3.0
67.05480	1.2
68.05011	1.7
69.07067	0.4
69.70399	0.6
69.70802	2.1
71.08611	1.4
79.05452	0.8
81.07066	1.5
82.09010	0.3
83.08595	0.8
85.10197	0.5
87.04446	0.4
91.05467	1.3
93.07032	0.7
95.04953	1.1
95.08592	1.4
103.05453	0.9
107.04939	47.0
109.10135	0.4
110.65856	0.3
115.05440	3.8
117.06982	1.1
119.04897	0.6
121.06487	3.0
131.04907	2.3
133.06525	0.3
137.05949	5.1
143.04892	5.8
144.05685	0.7
145.06473	5.9
147.04388	1.0
147.08011	0.3
151.07539	0.9
155.06012	0.6
160.05183	2.2
161.05922	0.5
162.05489	2.3
162.06779	1.5
163.06258	1.0
163.07552	2.3
165.07042	0.5
166.07777	0.7
175.07515	8.2
176.07062	1.6
177.07846	3.4
178.08614	6.6
181.06451	0.5
181.10141	0.9
183.17404	0.4
189.07773	0.8
189.41702	0.3
190.08627	1.6
191.08304	1.9
194.07184	1.4
195.08163	0.3
197.05992	0.4
204.10168	6.6
205.10970	1.1
206.11766	0.3
208.08870	0.3
209.09595	5.6
210.13708	0.3
216.10158	0.3
217.07310	0.5
219.08090	1.0
220.20590	0.5
222.06754	0.4
223.07445	0.5
226.21710	0.9
228.10130	0.5
232.09656	4.9
235.07462	0.4
237.09038	5.7
238.09720	0.6
238.21638	1.1
239.06984	0.9
246.11235	7.1
247.12013	1.8
254.09454	1.0
260.12787	2.9
269.11673	6.3
288.15973	0.5
296.12756	1.5
302.17392	0.4
312.15918	3.2
316.19202	0.4
372.25085	1.8
386.26865	1.6
387.27631	2.2
388.32468	0.3
494.32593	100.0
495.32751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01869	0.3
55.05504	0.6
57.07066	2.1
67.05489	0.7
68.04996	1.4
69.07051	0.4
69.68298	1.3
69.68727	0.7
70.02942	0.3
71.08613	1.0
75.97218	0.2
79.05470	0.8
81.07032	0.8
83.08611	0.3
85.10166	0.5
91.05460	1.3
93.07034	0.7
95.04951	0.8
95.08591	1.4
103.05456	1.2
105.07052	0.3
107.04935	35.6
108.05299	0.2
109.10128	0.5
113.56119	0.3
115.05434	6.2
117.07011	1.1
119.04908	0.5
121.02847	0.6
121.06480	3.5
131.04883	1.2
133.06470	1.1
137.05965	4.2
143.04900	7.6
144.05739	0.5
145.06459	3.7
147.04445	0.6
147.08044	0.4
149.05966	0.5
150.06737	0.7
151.07533	1.0
160.05199	0.7
161.04704	0.5
161.06000	0.6
162.05525	0.5
162.06746	1.4
162.09099	0.4
163.06265	1.7
163.07527	1.1
165.06995	0.3
166.07806	0.4
169.06471	0.2
174.05447	0.4
175.07521	3.5
176.07031	3.4
176.08394	0.4
177.07831	4.5
178.08609	11.4
181.06445	0.6
181.09944	0.4
186.09145	0.6
187.07602	0.3
188.01421	0.3
188.07056	1.0
189.07767	1.6
190.08687	0.7
191.08592	0.9
192.10280	0.3
194.07263	1.5
195.07976	0.7
199.06238	0.3
202.08415	0.3
204.10175	13.5
205.10942	2.0
206.11873	0.3
207.07996	0.3
209.09592	3.1
210.09157	0.8
211.07570	0.3
213.07808	0.7
214.08556	1.9
216.09943	0.3
217.07320	0.7
217.87477	0.3
218.08089	0.5
218.11803	0.3
219.08002	1.2
226.21664	0.4
228.10149	4.8
229.10945	3.1
230.08127	0.3
230.11703	0.6
231.08939	0.6
232.09654	13.7
233.10304	0.3
235.07599	0.3
236.20074	0.8
237.09061	3.3
238.09705	0.3
238.21600	0.4
239.06999	0.4
240.07799	0.4
242.11687	0.3
246.11227	8.6
247.11928	2.4
254.09402	0.6
260.12805	3.7
269.11679	5.2
280.09653	0.5
288.16141	0.4
296.12756	6.9
302.17651	0.7
312.16003	1.6
316.19199	0.3
330.24222	0.3
340.29218	0.3
370.27258	0.4
372.25275	0.4
374.50140	0.3
386.26779	1.2
387.27560	1.6
494.32578	100.0
495.32944	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3233
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
53.03924	0.7
55.05500	1.1
56.05018	0.9
57.07066	1.3
58.06575	1.4
60.08151	13.5
64.86990	0.7
67.05476	2.6
69.07042	1.8
70.06568	1.2
70.45127	3.2
71.07358	5.7
74.71472	0.7
78.62595	0.6
79.05471	1.3
81.07036	2.0
83.08586	1.6
86.09688	49.8
93.06999	1.2
95.04945	1.0
95.08600	1.7
97.06492	1.5
97.10115	1.1
98.98449	3.1
104.10722	96.1
105.03377	6.5
105.06980	0.8
107.08571	1.1
107.53133	0.7
110.06437	0.7
114.21494	0.7
119.08537	0.6
121.02845	5.5
121.10096	1.1
122.11433	0.6
124.99979	24.9
135.11639	0.9
184.07307	100.0
240.10130	1.1
258.11166	1.0
268.01517	0.9
292.26370	0.7
294.51108	0.9
311.25797	1.6
383.84351	0.6
476.31277	9.8
494.32330	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	494.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.4
55.05492	0.7
56.05010	0.6
57.03426	0.3
57.07053	0.7
58.06620	0.3
58.29004	0.3
60.03694	0.3
60.08155	6.0
65.15559	0.3
65.54923	0.3
67.05483	0.7
69.07056	0.8
70.06567	0.7
71.07356	2.4
71.79348	0.7
71.80074	0.4
79.05487	0.4
81.07054	0.8
83.08571	0.4
86.09692	29.7
88.07600	0.6
91.05443	0.6
93.06993	0.6
95.04922	0.5
95.08601	0.6
96.08101	0.3
98.98444	2.1
102.09191	0.5
104.10724	3.2
105.02647	0.4
105.03370	6.6
105.06983	0.7
106.03690	1.1
107.04955	0.4
107.08572	0.5
109.08470	0.4
120.08089	0.5
121.02857	3.6
124.99985	21.1
135.04311	0.4
143.01024	0.6
149.02321	1.5
163.52167	0.4
184.07317	100.0
193.04921	1.2
237.07590	1.5
240.10155	0.7
250.21538	0.8
258.10837	0.4
284.29376	1.2
359.61447	0.4
463.17303	1.0
476.31180	1.2
494.33560	4.5
512.80017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01858	0.8
55.05489	2.2
56.05017	1.8
57.03410	0.9
57.07046	0.8
59.04988	1.5
60.04512	16.1
61.02904	0.9
67.05497	3.7
69.03417	6.2
69.07052	3.0
70.06567	0.9
71.04980	14.1
71.81254	1.1
72.04502	1.2
72.08150	0.8
73.02896	0.9
73.06538	2.7
74.06065	1.0
79.05479	6.5
81.03394	4.9
81.07038	21.4
83.08606	1.2
85.02888	28.9
91.05458	3.9
93.07025	14.7
95.04942	2.6
95.08619	5.3
97.02883	6.4
97.06477	1.5
99.04433	10.0
103.03922	31.8
105.06977	1.2
107.08578	11.5
109.02853	5.7
109.10142	4.0
115.14058	0.7
116.39404	0.7
119.08629	1.0
121.02836	1.1
121.10122	1.3
124.03911	1.0
127.03893	33.4
131.08514	1.4
135.11667	23.6
135.99873	0.7
145.04936	25.0
146.10323	0.7
149.80325	0.7
153.12715	100.0
154.12946	1.1
163.05984	33.3
177.05458	2.3
187.05948	1.6
205.07106	2.2
268.16415	0.7
271.08148	2.6
278.24713	1.0
289.09390	1.4
295.02289	1.5
296.25909	2.1
297.16940	2.0
307.10184	11.6
314.26846	2.7
327.04883	0.8
332.04730	1.3
332.08505	0.9
332.27930	15.4
421.05463	3.3
476.32175	1.5
494.33124	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.7
56.05010	0.6
57.07033	1.4
58.06561	0.7
67.05461	0.8
67.56636	0.4
69.07024	1.1
70.02927	0.6
70.05811	2.6
71.08586	1.5
81.07007	1.2
83.17969	0.4
84.04446	0.8
85.10142	0.9
93.06987	1.1
95.04887	0.4
95.08566	1.4
96.30834	0.4
98.21361	0.7
103.05441	0.6
109.93016	0.4
112.07584	0.7
121.06477	2.7
130.06439	0.5
132.08060	0.9
132.23935	0.4
141.06941	0.5
152.06113	0.5
153.06926	0.7
161.30037	0.5
165.06960	3.3
166.07776	3.8
167.08490	1.8
171.31938	0.4
176.06071	0.5
177.06976	2.8
178.07722	1.8
179.08527	6.9
180.09183	0.6
181.06456	2.3
181.10065	3.5
182.18941	0.4
182.71828	0.4
189.06981	3.8
190.07727	4.9
191.08522	22.8
192.05750	0.5
192.09018	0.5
192.17416	0.8
193.06444	2.1
194.07236	7.2
195.08066	2.9
198.18547	0.6
202.07741	0.7
203.08345	0.5
204.05830	0.4
205.06442	10.7
206.07185	1.6
207.08012	14.0
208.08800	5.1
209.09572	11.0
210.18491	13.3
211.07465	1.7
217.06375	1.5
218.07249	3.1
219.08023	16.6
220.08694	1.2
221.05933	4.3
221.09489	0.6
222.06712	30.3
223.07466	4.3
223.10948	0.5
224.08264	2.7
225.08987	0.5
233.05933	7.4
234.06651	1.6
235.07503	5.3
236.08252	7.2
237.09067	30.8
238.06293	1.3
238.09421	0.6
239.06998	4.4
247.07501	6.8
248.08195	1.3
249.05466	2.5
250.06178	6.1
251.06985	3.5
251.10590	0.4
252.07837	3.3
253.08534	5.6
254.09389	1.1
255.10167	2.9
262.08670	0.5
263.06943	3.3
264.07751	1.9
265.08554	88.0
266.09152	3.4
267.06509	7.1
267.10104	13.5
268.07208	0.5
269.11722	0.4
279.10162	2.7
282.08813	36.5
283.09299	0.8
291.08740	1.0
293.10986	0.4
294.07535	0.9
297.11160	77.6
298.11581	1.1
308.12842	0.9
309.09915	3.0
314.24661	5.0
324.12241	33.0
325.12546	0.7
332.25616	1.1
340.15369	14.0
373.58600	0.5
374.33981	2.2
462.26324	1.4
494.28943	100.0
494.40378	2.6
495.29288	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	493.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.4
51.39205	0.4
52.19627	0.3
53.03930	1.0
55.01851	0.5
55.05502	4.7
57.05802	0.5
61.11868	0.3
67.05476	1.1
70.06558	1.0
71.78996	0.3
72.08139	44.0
73.99538	0.3
77.03892	0.4
79.05474	0.8
81.03394	0.9
81.07014	1.1
83.04979	0.6
83.08601	0.6
91.05457	2.0
93.07009	1.4
95.04961	2.6
95.08576	0.5
103.05449	2.0
105.03371	14.6
105.06998	1.5
107.04924	1.2
107.08588	0.6
109.10126	0.4
117.06955	0.8
118.40199	0.3
119.04964	0.6
119.08542	0.3
120.08079	100.0
121.02034	0.5
121.02842	6.0
121.08404	1.3
121.10099	0.6
122.06010	0.4
133.39900	0.3
135.04417	1.0
136.07495	0.5
137.02321	7.1
145.10094	0.4
154.07547	0.5
163.54292	0.4
167.08127	0.4
171.14890	6.1
174.12773	2.6
193.12259	0.6
199.14400	6.5
209.06075	0.7
211.13287	0.4
219.14890	16.6
222.12672	0.8
227.12849	0.3
237.03290	0.7
237.05434	5.5
238.08557	1.7
239.09361	0.7
247.14371	17.6
256.09610	4.8
257.10031	0.4
267.14859	9.2
273.19611	0.9
295.14362	11.6
296.14725	0.4
301.19104	3.5
321.19608	0.6
346.21201	8.8
349.19034	1.9
358.10510	0.8
372.08392	0.6
372.12338	3.1
383.22159	0.5
394.21191	7.1
397.33414	0.4
401.23404	0.6
422.20328	0.5
448.25659	0.5
465.28619	1.6
493.27872	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2788
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03926	3.9
55.01864	8.3
55.05499	20.8
57.03428	9.4
57.07054	1.0
59.04971	3.0
65.03926	1.3
65.71208	0.8
67.05132	1.5
67.05491	25.6
69.03416	3.0
69.07051	6.6
70.40482	3.3
71.01350	0.8
71.04974	7.1
73.02902	0.8
77.88346	1.1
79.05019	1.6
79.05477	31.1
80.05830	1.0
81.03402	41.5
81.07038	29.2
81.07403	0.6
81.07516	1.2
83.01320	5.2
83.04500	1.2
83.04966	16.0
83.08605	19.1
85.02888	21.3
85.06548	2.1
91.05463	28.8
93.07027	27.1
93.07456	0.5
95.04488	0.9
95.04951	23.1
95.08589	10.5
97.02865	2.8
97.06507	5.1
97.10157	4.4
99.04414	1.7
105.03391	5.4
105.04468	1.2
105.07011	20.6
107.04928	8.8
107.08563	13.2
109.06497	7.5
109.10092	2.1
111.04443	4.8
111.08063	7.5
111.08736	1.3
113.05986	2.2
115.05433	1.2
117.06995	7.8
119.08558	16.8
121.06480	3.6
121.10117	11.8
123.08023	7.1
123.11655	1.1
125.05949	1.8
125.09590	3.2
127.03959	1.0
129.06978	9.1
130.07813	1.9
131.08525	8.8
133.06439	1.8
133.10100	8.3
135.08038	2.1
135.11656	8.0
137.06012	1.5
137.09610	2.2
142.07767	0.9
145.06496	1.0
145.10083	10.1
147.08038	4.0
147.11652	8.1
149.09654	5.2
153.12671	2.3
157.10085	8.0
163.11150	17.4
165.12762	2.1
165.86255	1.0
173.09587	2.5
175.11166	9.6
181.12189	3.4
189.11166	0.9
191.10664	3.0
193.12199	36.6
208.30608	0.8
209.11664	7.5
211.13252	43.0
212.13759	0.9
227.12782	3.9
267.15863	6.0
283.15289	4.4
285.16986	0.8
322.23169	0.8
355.22333	0.9
383.22089	2.9
401.22833	1.7
457.25909	1.2
475.26883	7.1
493.27887	100.0
494.28085	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	493.2791
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02361	1.0
51.72558	0.8
53.03930	3.7
55.01863	9.2
55.05264	1.3
55.05502	18.5
57.03432	7.6
57.07063	1.2
58.50795	1.0
59.04973	2.7
65.03917	1.6
67.05493	21.9
69.03409	3.0
69.07052	5.8
69.56778	7.9
69.57198	1.7
70.06565	1.1
71.01353	1.3
71.04982	7.1
79.05479	31.8
80.78823	0.9
81.02924	2.2
81.03403	44.7
81.07042	27.7
83.01325	4.3
83.04969	16.4
83.08153	1.4
83.08607	18.2
85.02890	18.7
85.06547	1.5
91.05465	28.1
91.22214	0.8
93.07029	26.4
95.04387	2.1
95.04951	23.5
95.08586	11.8
96.08914	0.8
97.02872	3.4
97.06522	6.9
97.10150	2.5
98.21486	2.1
99.04449	1.4
99.08080	1.2
103.05443	1.1
105.02728	1.8
105.03371	16.4
105.07008	21.1
107.04943	10.1
107.08575	13.2
109.06485	7.2
109.09280	0.8
109.10105	4.4
110.59243	0.9
111.04416	3.5
111.08059	7.0
113.05988	2.3
115.05428	1.8
117.07022	7.4
117.34185	1.0
119.04859	1.0
119.08560	18.1
121.02845	11.1
121.06520	5.0
121.10134	10.6
123.08043	5.8
125.05936	1.2
125.09595	1.9
129.07004	5.6
131.08533	8.5
133.06461	1.6
133.10095	5.4
135.08018	1.5
135.11685	8.3
137.09601	2.2
139.73311	1.0
142.07733	1.4
143.08461	1.1
145.06438	1.6
145.10098	10.4
147.07974	2.9
147.11649	9.3
149.09576	4.9
153.01817	1.6
153.12735	2.8
155.08472	1.1
157.10117	6.2
163.11156	18.5
165.12735	1.5
173.09610	2.7
175.11134	7.5
181.12209	3.4
191.10690	1.7
193.12216	31.6
209.11571	5.2
211.11197	2.1
211.13261	42.5
227.12764	3.6
237.05391	1.1
240.10146	2.1
249.30804	0.9
267.16037	5.1
283.15475	3.7
298.07178	1.8
311.07855	1.3
312.06635	1.7
325.07944	1.6
327.57495	1.2
333.09137	9.3
333.59286	3.3
342.09698	4.4
345.58868	1.7
353.60602	4.3
354.10883	2.3
383.22186	3.5
385.04730	1.1
401.22900	1.5
457.25638	1.3
475.16342	1.4
475.26785	4.7
493.27884	100.0
493.64029	2.1
494.14862	1.2
494.28268	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	493.2787
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03937	4.4
55.01860	9.5
55.05500	22.9
57.03422	9.6
57.07052	1.1
59.04979	3.3
65.03918	1.3
67.05492	23.4
69.03414	3.7
69.07054	6.1
69.27595	0.7
70.31140	3.8
71.04977	6.0
74.40964	0.7
75.42477	0.8
79.05479	30.4
81.03403	46.2
81.07040	29.5
83.01328	6.2
83.04964	18.0
83.08602	21.0
84.16414	0.7
85.02887	22.6
85.06533	2.3
91.04904	1.6
91.05462	27.0
93.07028	29.5
95.04948	20.7
95.08581	9.2
96.22944	0.7
97.02880	2.8
97.06528	4.8
97.10146	3.3
99.04454	2.2
99.08089	0.9
103.05472	1.2
105.04441	0.8
105.07014	18.0
107.04933	10.0
107.08581	11.8
109.06497	8.0
109.10126	3.8
111.04434	3.7
111.08056	8.9
113.05981	2.3
117.07009	6.8
119.08549	18.9
121.06508	2.8
121.10119	11.3
123.08047	8.9
123.11663	1.9
124.90870	0.7
125.05961	1.9
125.09606	2.8
128.06200	1.5
129.06973	7.2
130.07770	2.1
131.08528	8.1
133.06485	2.2
133.10110	5.8
135.08043	2.7
135.11668	9.5
137.09575	1.5
142.07806	1.3
143.08554	0.8
145.10101	12.9
147.08037	3.8
147.11636	7.7
147.33032	0.7
148.80310	0.8
149.09602	3.5
153.12733	3.3
155.08528	1.9
157.10078	6.9
163.11159	20.6
173.09657	1.9
175.11162	9.9
181.12207	3.8
189.11171	0.9
191.10619	1.8
193.12201	37.5
194.12595	1.0
209.11702	4.9
211.13255	50.6
212.13618	1.6
227.12650	4.6
249.14938	1.9
267.15955	3.8
283.15463	3.7
290.26410	0.8
373.23947	0.9
383.22009	2.5
401.23276	1.1
457.25742	1.3
475.26712	4.2
493.27887	100.0
494.28308	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2791
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.67546	0.5
53.03931	3.1
55.01862	10.2
55.05500	21.6
55.27844	0.6
57.03148	0.7
57.03423	10.8
57.07046	1.2
59.04984	3.3
65.03914	1.7
67.05491	25.3
69.03406	4.6
69.06722	0.9
69.07055	9.0
71.01328	1.1
71.04978	7.4
71.78791	0.6
77.03923	0.6
79.05478	34.7
79.36591	0.6
81.03402	46.7
81.07040	31.5
81.07532	1.0
82.07394	0.7
83.01328	6.4
83.04963	17.5
83.08601	20.9
84.08920	0.6
85.02366	1.1
85.02885	22.8
85.06516	1.3
91.05462	29.1
92.05798	1.0
93.07026	30.0
95.04948	25.3
95.08585	13.9
97.02853	3.5
97.06519	7.4
97.07102	1.0
97.10146	4.7
99.04430	2.5
99.08052	1.3
103.05441	1.5
105.03358	4.5
105.04455	1.0
105.07005	21.3
107.04931	10.1
107.08570	16.8
107.09303	0.9
109.02850	0.5
109.06495	8.5
109.10132	3.9
111.04436	4.4
111.08056	7.9
113.05976	1.4
115.05427	1.6
116.06220	0.8
117.06985	9.3
119.08562	17.4
121.02850	4.8
121.06498	5.0
121.10123	12.2
123.04404	0.9
123.07223	0.8
123.08040	8.2
123.11664	1.8
125.05951	1.0
125.09604	2.3
128.06184	0.9
129.05414	0.7
129.06989	8.0
130.07825	1.2
131.08549	8.5
133.06479	2.5
133.10109	9.0
135.08028	1.8
135.11668	8.6
137.05913	0.9
137.09598	2.2
139.03717	0.6
142.07756	1.6
143.08531	1.3
145.06427	1.4
145.10100	13.3
147.07977	3.2
147.11655	8.8
149.09563	5.0
151.11176	1.6
153.12721	2.7
155.08481	1.6
157.10086	7.6
163.11147	24.2
164.11584	0.8
165.12756	2.5
169.06491	0.7
169.62685	0.5
173.09578	3.4
175.11153	10.9
181.12199	3.5
191.10614	4.3
193.12209	40.9
209.11678	6.3
211.13252	44.3
212.13530	1.1
227.12755	5.2
249.14859	1.2
267.15851	5.9
283.15417	4.1
285.16763	1.2
343.38336	0.5
383.22104	2.3
401.23260	1.6
457.25900	1.4
475.26801	5.6
493.27835	100.0
494.28198	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	493.1331
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.80229	0.1
61.09323	0.1
66.71970	0.1
68.99752	0.2
69.69369	1.0
149.05937	0.2
151.03781	0.3
168.00473	0.3
175.03899	0.2
177.05417	0.3
183.02768	0.8
213.86897	0.1
213.96956	0.1
217.04881	0.2
225.05457	0.3
227.03378	0.2
244.26811	0.1
245.04346	1.4
255.02835	0.3
273.03854	2.3
288.06238	6.9
301.03372	4.6
315.05066	0.3
316.05710	41.6
317.06033	0.5
331.08041	100.0
332.08398	1.5
434.25537	0.2
493.13324	12.3
494.13617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1332
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
60.60448	0.1
68.99756	0.2
69.11999	0.1
70.54168	0.4
85.02875	0.2
91.45309	0.1
98.67326	0.1
105.03429	0.1
127.03844	0.2
150.06592	0.1
151.03790	0.4
156.19397	0.1
163.03770	0.2
168.00475	0.4
169.01309	0.2
175.03900	0.2
177.05365	0.4
186.01547	0.3
187.03833	0.3
198.06738	0.2
199.03839	0.3
203.03355	0.3
217.04933	0.3
225.05496	0.7
231.02788	0.2
241.01370	0.1
245.04425	2.1
255.02785	0.4
270.05151	0.2
273.01044	0.2
273.03894	3.6
287.05533	0.2
288.06390	0.9
301.03363	8.1
315.04935	0.5
316.05704	55.8
317.05991	1.1
331.08041	100.0
332.08417	2.4
471.63303	0.1
493.13211	0.3
495.34192	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	493.1333
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
52.69405	0.1
56.52792	0.1
62.99352	0.1
68.99761	0.3
69.03373	0.1
69.56994	1.1
70.06525	0.1
81.03378	0.2
81.06989	0.2
85.02852	0.4
86.09625	0.1
91.05393	0.1
93.07008	0.2
93.88466	0.1
95.08566	0.1
97.02818	0.1
99.04405	0.1
105.07009	0.1
107.08546	0.1
109.02841	0.2
109.10101	0.2
112.01524	0.2
121.02908	0.2
127.03861	0.3
137.02243	0.2
137.05901	0.3
147.04407	0.2
149.05916	0.4
151.03876	0.6
151.24297	0.1
163.03918	0.2
163.05962	0.1
168.00447	0.3
175.03906	0.3
177.05431	0.4
184.77969	0.1
185.00610	0.1
186.01529	0.4
187.03900	0.3
199.03828	0.2
201.05385	0.1
203.03320	0.3
205.04922	0.1
215.03276	0.1
217.04851	0.4
225.05443	0.6
225.29636	0.1
227.03322	0.2
228.82375	0.1
231.02850	0.2
243.06706	0.1
245.04376	2.5
255.02824	0.4
270.05182	0.3
273.03897	3.8
287.05371	0.2
288.06210	1.2
301.03381	8.2
302.03815	0.2
315.04849	0.5
316.05716	56.7
317.06085	0.9
329.32553	0.1
331.08054	100.0
332.08392	1.5
363.22906	0.1
381.23422	0.1
493.12787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1333
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03922	0.2
55.01853	0.2
55.05482	0.4
57.03420	0.9
61.02607	0.3
61.02913	6.0
67.05475	1.0
69.03407	1.3
69.07051	0.3
70.39723	0.3
70.40123	0.4
71.04979	0.3
73.02895	1.5
79.05453	0.7
81.03414	0.9
81.07022	1.0
81.76225	0.2
83.04967	0.2
83.08594	0.4
85.02890	5.4
87.04410	0.2
91.03937	3.2
91.05479	0.9
92.02596	0.5
93.03383	0.6
93.07035	0.9
95.04956	0.8
95.08581	0.5
97.02870	3.0
97.06531	0.2
97.10143	0.3
98.20754	0.2
99.04430	0.5
103.28339	0.2
105.03378	0.5
105.06997	0.3
107.04932	0.3
107.08530	0.5
109.02853	0.2
109.10101	0.3
110.57832	0.2
111.04419	0.3
115.03860	0.3
117.06953	0.3
119.08503	0.4
121.02826	0.7
121.10144	0.2
123.04368	0.4
123.11675	0.2
125.09588	0.2
127.03873	1.1
129.06978	0.2
131.08524	0.3
133.10069	0.3
137.05965	0.2
140.04654	0.8
141.54988	0.2
145.04922	0.5
145.06445	0.2
145.10077	0.4
147.07967	0.2
147.11694	0.2
149.09570	0.2
151.03889	1.1
151.04961	0.2
153.05467	0.6
157.10031	0.3
157.44923	0.2
159.08012	0.2
163.11143	0.2
167.03365	8.8
177.05438	0.2
177.45758	0.2
179.03409	0.4
193.12166	0.5
197.04457	0.2
209.11713	0.5
211.13116	0.3
215.06981	0.4
217.04897	0.7
227.12660	0.3
228.04111	0.3
231.06525	1.0
232.07266	0.6
233.04494	0.3
242.05693	1.0
243.06487	2.6
244.07298	0.3
245.04390	0.7
247.13225	0.2
256.03668	0.2
259.05966	1.4
260.06778	1.4
270.04977	0.2
271.05884	1.7
273.03870	0.3
275.09042	0.3
285.07263	0.3
287.05478	2.1
288.06262	3.2
298.04721	0.3
299.05469	3.0
301.03198	0.2
315.04767	0.2
316.05707	12.7
317.06110	0.2
331.08044	100.0
332.08417	1.4
372.12262	0.2
383.22003	0.4
475.26581	1.0
493.27991	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.4
53.03940	1.0
53.64973	0.2
55.05494	0.3
57.07038	0.3
60.37080	0.2
67.05490	0.5
69.07040	0.7
70.87598	0.8
77.03890	0.5
79.05479	8.1
80.05814	0.2
81.03416	0.3
81.07033	0.7
83.08585	0.5
91.05465	0.2
92.02900	0.2
93.07049	0.3
95.04946	2.6
95.08576	0.4
98.98457	0.4
103.05447	6.1
105.07008	100.0
106.07334	1.7
107.08557	0.4
109.10156	0.3
119.08594	0.3
121.10144	0.2
135.06953	0.2
144.38420	0.2
146.09572	0.3
148.07607	0.2
155.00998	0.4
186.16083	0.2
276.23135	0.2
339.28778	1.2
388.35657	1.7
434.71851	0.2
475.28558	0.3
492.41980	58.5
493.42282	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	492.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75392	0.3
55.05488	1.1
57.07067	2.6
65.42118	0.3
67.05484	1.8
69.07058	2.3
71.08610	1.9
71.49359	0.8
75.31908	0.3
79.05460	1.0
81.03410	0.5
81.07027	1.6
83.08614	0.5
85.10137	0.9
91.05450	0.6
93.07031	0.7
95.04932	1.9
95.08575	1.4
102.91739	0.4
105.06972	2.2
107.04943	0.4
107.08563	0.5
108.52415	0.4
109.02853	2.0
109.10111	0.5
119.08593	0.4
123.04380	1.2
137.05988	0.5
184.13254	0.4
203.17746	0.3
207.17406	1.8
235.16966	1.8
242.79434	0.4
249.18550	1.9
290.46289	0.5
338.26865	1.2
361.30930	100.0
362.31219	2.1
362.77991	0.4
391.11487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.05481	2.1
56.04993	0.8
57.07071	3.6
67.05464	2.8
68.04989	2.6
69.07025	1.8
69.69590	0.8
70.02898	0.7
71.08594	2.2
77.97537	0.7
79.05487	6.8
81.07000	3.1
82.06541	1.6
83.08595	1.0
85.10143	1.2
89.05984	0.7
93.06986	2.2
95.04932	2.6
95.08603	3.4
97.10127	1.2
98.20547	1.5
98.98440	1.3
103.05458	5.7
105.07018	87.4
107.08551	1.0
109.10123	1.8
112.40807	0.7
119.08563	1.3
121.10115	0.9
122.09630	1.1
133.10158	1.1
134.17473	0.7
146.09543	0.8
155.01033	1.5
157.09995	0.9
189.06963	51.7
190.07420	2.5
191.08568	3.0
193.06432	0.9
203.08531	1.0
206.07253	0.8
207.08058	1.9
215.08527	2.7
217.06462	100.0
218.06905	3.7
221.09537	1.1
223.07472	1.6
226.21638	16.1
230.09608	1.7
231.08032	1.8
232.07784	1.3
232.11104	1.4
233.08325	1.3
234.06770	3.7
236.20042	1.4
243.08087	1.0
249.09103	49.8
250.09300	0.9
258.09186	1.1
260.10712	5.2
261.07782	18.6
271.66684	0.7
275.10669	1.3
276.10150	23.1
286.08661	0.9
292.13339	2.1
337.28696	0.7
339.28943	2.1
368.22409	0.8
388.35980	1.3
414.27841	2.1
442.27380	3.9
456.29041	2.0
474.29990	27.7
475.30109	1.4
492.31183	17.7
492.42029	51.4
493.30893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07052	4.0
67.05482	3.8
70.26978	4.5
71.08607	4.3
79.05466	2.5
81.07029	4.1
83.08605	1.1
85.10153	2.6
93.07048	1.8
95.04974	1.1
95.08611	4.9
96.04472	1.0
103.05393	1.3
104.88419	1.0
105.07008	15.5
107.08573	1.6
109.10129	1.5
117.06952	0.8
119.08536	1.8
123.08069	1.0
131.08466	0.8
133.10114	1.3
140.06139	0.9
155.14256	2.7
159.11702	1.0
164.06183	1.7
168.05656	2.8
192.05666	16.1
205.06445	1.5
208.16972	2.1
215.08632	1.1
220.05164	8.7
228.08035	4.3
235.07613	1.6
248.04645	55.7
250.06247	1.3
256.07562	1.3
262.08496	2.1
263.07001	100.0
264.07419	1.8
273.07748	4.5
277.08542	1.7
278.08148	1.4
286.08438	1.0
288.10138	16.4
289.08435	3.1
290.08115	3.5
291.08929	2.4
301.07318	2.4
306.11191	14.2
310.22382	1.1
314.07880	1.5
316.09732	1.8
316.50717	0.8
324.50790	0.9
339.29065	1.0
357.23859	0.9
427.21625	1.1
442.23874	6.1
445.21960	0.9
460.24768	55.0
461.24985	1.4
492.27475	1.2
492.35464	3.0
492.41840	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	492.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	2.4
57.07048	2.5
61.43469	1.2
67.05492	12.5
68.05830	2.9
69.07030	3.4
71.08601	2.5
71.82120	1.7
76.02815	1.2
79.05470	4.2
81.07044	8.7
81.97673	1.4
82.07390	1.3
83.08606	1.7
89.82722	1.1
91.05486	2.2
93.07030	2.9
95.08601	7.0
105.06320	1.8
105.07013	33.8
107.08548	2.0
109.10155	6.2
110.10505	2.6
117.06886	1.3
119.08578	2.8
120.08886	1.4
121.10044	2.0
123.08097	1.5
131.08517	2.1
133.10100	3.0
135.11693	1.7
156.96922	1.5
173.11655	2.1
178.07750	10.3
205.06508	9.6
206.07275	10.5
208.17001	1.7
234.06729	31.7
249.09079	3.3
261.05426	3.5
262.06235	7.4
271.09872	3.9
277.08557	100.0
278.08951	1.5
286.08566	2.2
287.09326	1.4
289.40128	1.5
302.11682	12.1
303.10046	1.6
304.09525	3.4
320.12753	11.8
330.11005	2.7
440.22101	1.4
449.58743	1.2
456.25076	5.2
469.71521	1.3
474.19864	2.2
474.26367	39.0
492.35971	11.0
492.42322	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	492.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.2
53.03937	1.1
55.01861	0.9
55.05505	0.8
57.07064	2.6
65.03929	0.4
67.05494	2.5
68.46791	0.1
69.01597	0.1
69.07054	1.4
69.72371	1.1
71.08238	0.2
71.08617	3.8
77.03905	0.3
79.05481	1.1
81.03411	0.8
81.07043	3.2
83.04962	0.5
83.08579	0.7
84.04487	0.3
85.06529	0.2
85.10170	1.7
91.05462	7.6
92.05802	0.2
93.03376	0.2
93.07026	12.8
94.07358	0.3
95.04945	3.5
95.08588	3.5
97.06507	0.3
103.05450	7.4
105.03378	1.2
105.04488	0.4
105.07003	0.5
107.04926	0.9
107.08546	0.5
109.10120	0.2
110.02373	0.5
110.06029	1.0
117.06958	0.2
119.04965	0.2
119.08578	0.3
121.02956	0.9
121.06481	100.0
122.02419	0.2
122.06039	0.2
122.06812	1.1
123.37458	0.2
124.03944	0.2
129.06978	0.2
131.08601	0.1
132.29964	0.1
134.06021	0.2
135.11633	0.3
136.07523	0.4
137.13235	0.2
137.86002	0.2
138.01791	0.4
138.05443	1.2
143.08531	0.2
148.07539	2.2
155.14265	0.6
157.10114	0.2
174.09114	0.2
183.57613	0.1
184.93562	0.2
190.08653	0.2
193.12117	0.2
202.08586	1.4
204.10112	1.1
212.10579	0.2
214.08614	1.0
216.10149	0.3
230.08092	1.5
230.11658	1.5
232.09634	0.2
236.16273	0.2
240.10141	0.8
246.11206	0.3
256.09909	0.1
258.11215	12.6
259.11560	0.3
263.07892	0.2
264.15915	0.4
264.19257	0.2
267.16223	0.2
274.18057	0.6
276.12177	0.9
280.18863	0.2
282.17358	0.2
286.10840	0.3
292.19064	0.2
322.12891	0.7
326.21176	0.2
328.22540	0.2
330.10049	0.2
338.21127	0.4
348.10699	0.3
356.22168	1.1
356.25818	0.2
358.23767	0.4
370.23990	0.2
374.23172	0.8
382.23914	0.3
384.21588	27.1
385.21951	0.8
386.23044	0.7
394.23721	0.7
400.24829	0.4
402.22699	0.5
412.24753	12.2
413.25140	0.4
414.22690	0.2
430.25879	4.0
446.25229	1.0
456.23782	0.7
474.24612	6.2
474.39203	0.2
475.26013	0.3
492.25851	24.4
492.40344	0.8
493.19482	0.2
493.26007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03938	0.7
55.36636	0.2
65.03934	0.2
69.03432	0.4
70.06603	0.4
71.60411	0.5
72.08150	0.2
74.31703	0.2
78.43108	0.2
84.04507	0.4
84.08096	0.3
85.02905	0.4
86.09695	0.3
91.05466	2.9
93.07027	5.1
95.04956	1.4
97.02876	0.4
103.05454	3.8
117.03354	0.2
121.06487	100.0
122.06810	1.3
132.10149	0.3
135.04391	0.5
138.09120	32.3
145.04893	0.3
163.03873	3.7
165.05481	0.4
182.08076	0.5
192.71092	0.2
198.98476	0.3
200.64708	0.3
205.81418	0.2
246.70000	0.2
315.47955	0.3
330.11240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3723
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
53.03930	1.5
55.01859	1.6
55.05254	1.3
55.05500	9.2
57.03430	21.3
57.07064	31.5
62.51611	1.0
65.03908	1.3
67.05495	16.7
69.07056	10.8
69.57886	9.8
71.04935	1.1
71.08619	38.7
71.49673	0.9
72.04508	1.0
79.05474	8.2
81.03404	1.5
81.07044	29.9
83.04964	4.8
83.08627	4.5
85.06524	1.1
85.10165	19.9
86.09682	4.3
88.11246	4.0
91.05465	9.8
93.07027	11.3
95.04961	3.0
95.07984	1.8
95.08590	30.9
97.06483	2.8
97.10127	2.4
99.08070	1.3
105.07014	6.7
107.04918	3.1
107.08572	3.0
109.02834	1.3
109.06497	2.9
109.10143	4.7
111.04424	4.5
117.06970	2.9
119.04926	2.9
119.08559	7.4
121.06468	3.2
121.10127	3.0
123.08038	1.8
125.05890	1.1
129.06976	1.9
131.04912	3.0
131.08539	2.4
133.06471	2.9
133.10101	3.5
134.37038	0.9
135.08002	1.2
135.11673	1.9
137.09605	2.5
137.13219	3.2
139.07547	6.3
143.08537	1.3
145.06406	2.0
145.10048	1.9
147.08012	4.1
147.11661	1.6
149.13213	1.2
155.14279	19.9
159.07986	1.1
159.11624	0.9
161.09540	0.9
165.09096	16.8
168.70290	0.9
169.06493	0.9
173.09586	1.2
175.07605	1.1
193.15764	2.5
199.16888	5.0
209.19022	1.7
227.17841	1.1
237.18452	100.0
237.63992	1.0
238.18739	1.4
245.18996	25.3
250.06335	1.2
257.18845	1.9
263.20038	8.9
264.04718	1.0
265.21585	3.3
273.18463	2.1
273.22031	1.4
275.19955	1.1
291.23029	9.1
293.21051	56.5
294.21359	2.1
301.21597	22.8
318.36090	1.0
319.22638	37.3
337.23679	25.8
371.33063	4.9
374.08133	1.2
376.31949	2.2
399.32510	85.2
400.32846	3.8
415.32095	2.0
417.33005	4.9
427.35513	3.2
437.33884	2.9
445.36679	12.3
455.35092	13.5
473.36209	29.1
491.29297	1.2
491.37033	21.8
492.36896	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3724
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
53.17566	0.9
55.05504	6.3
57.03427	9.9
57.07065	22.1
67.05495	12.6
69.07060	6.7
70.09910	5.4
71.08622	32.4
73.02937	1.2
75.72992	0.9
79.05476	4.7
81.07045	23.7
83.04962	1.4
83.08601	2.9
84.15232	0.8
85.10175	15.1
91.05472	4.4
92.38264	1.0
93.07043	5.3
95.08595	24.9
97.06519	2.6
97.10146	2.2
97.21660	1.3
105.07030	4.7
107.08597	2.8
109.06498	3.3
109.10152	2.0
119.08566	3.5
119.97030	0.9
121.06511	2.6
121.10143	1.8
123.08061	1.9
127.46540	0.9
131.08565	1.3
133.06491	1.3
133.10100	1.7
135.11693	1.3
137.09654	1.1
137.13275	2.2
138.54608	0.9
143.08545	1.0
145.10120	2.5
147.08032	2.9
149.09544	1.3
151.07506	1.1
155.14285	12.8
165.09097	9.7
187.07640	1.0
199.15215	1.4
199.16861	6.5
204.44510	1.1
237.18469	14.9
245.18980	11.9
263.20041	10.1
291.23224	3.7
293.21063	12.6
301.18195	1.7
301.21591	28.2
319.22647	33.8
337.23801	2.9
342.55719	1.1
389.30939	1.0
399.32532	38.2
400.33356	1.3
400.85565	1.0
417.33566	12.2
445.36877	3.2
455.35022	8.1
473.36234	25.7
491.37247	100.0
492.37546	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	491.3724
Annotation	anagalligenin A
Peak:m/z	Relative Intensity
53.80628	0.3
54.47111	0.3
55.01860	0.3
55.05504	3.0
57.03433	8.5
57.07067	17.4
67.05496	8.0
69.07056	4.1
69.38139	0.3
70.38670	0.9
70.39070	0.7
71.08620	21.5
73.02887	0.6
77.03912	0.4
79.05477	2.6
81.07043	15.3
83.04933	0.5
83.08590	1.3
85.06520	0.6
85.10165	11.7
89.05997	0.8
91.05457	3.0
93.07037	1.9
95.04945	0.9
95.08593	15.7
97.06492	0.6
97.10155	0.5
98.21394	0.5
99.26705	0.4
105.07018	1.8
107.08537	0.5
109.06483	2.4
109.10136	1.0
111.04459	0.4
113.00008	0.4
113.37032	0.4
117.06967	1.0
119.04929	0.7
119.08546	1.7
121.06465	0.8
121.10069	0.4
123.08119	0.4
123.11565	0.4
125.77552	0.4
129.06973	1.0
131.04912	0.6
131.08545	0.4
132.05663	0.6
133.06451	1.5
133.10112	0.6
135.11687	0.8
137.09610	0.5
137.13222	1.5
143.08540	0.5
145.06432	0.4
145.10092	0.4
147.08015	3.8
155.14281	7.9
157.10069	0.6
159.08014	0.7
161.09567	0.5
165.09097	3.7
167.94733	0.3
187.07452	0.5
194.57660	0.4
199.16782	1.7
221.19188	0.4
227.17848	0.5
235.20642	0.4
237.18463	3.9
245.18961	15.1
246.19148	0.6
263.20038	6.3
273.18460	1.1
283.20438	0.5
287.20111	0.6
291.22955	0.6
292.09540	0.5
293.21030	2.6
301.21573	18.8
311.29257	0.4
319.22650	9.5
337.23660	0.7
356.62576	0.4
371.33075	0.7
399.32520	53.6
400.32791	1.9
417.33606	4.3
417.38666	0.6
440.28250	0.4
445.37216	0.4
455.35159	2.5
457.21625	0.4
473.36191	100.0
474.36542	3.8
491.26645	3.0
491.37204	26.5
492.37469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05497	3.3
57.03157	1.1
57.03427	16.8
57.07066	20.6
64.90304	0.6
67.05490	10.9
69.07047	5.0
71.04968	0.6
71.08620	26.1
71.79713	0.7
79.05487	4.7
81.03388	0.9
81.07041	20.3
83.04964	6.3
83.08596	1.6
85.06512	0.7
85.10170	13.6
91.05446	2.7
93.07001	4.3
95.04951	1.2
95.07983	1.2
95.08586	19.0
97.06507	1.6
97.10149	1.1
98.21209	0.6
105.07003	1.4
107.04952	1.0
107.08556	1.6
109.06504	1.7
109.10156	1.5
111.04421	4.4
117.06967	0.6
119.08562	2.5
121.06469	1.1
121.10137	0.8
125.05956	0.9
129.07005	0.5
131.08607	0.6
133.06462	0.8
133.10057	1.1
135.08020	0.7
135.11696	0.9
137.09567	0.9
137.13211	2.5
139.07513	14.4
155.14281	21.6
161.13145	0.7
165.09074	3.8
183.10030	0.6
193.15846	2.1
199.16910	5.7
209.19014	1.2
219.17365	0.7
235.20522	0.9
237.18446	100.0
238.18723	1.7
245.18999	1.4
263.19919	2.0
265.17560	0.6
265.21591	2.3
281.21078	2.1
291.23083	2.2
293.21054	56.3
294.21371	1.7
301.21564	2.2
319.22485	3.2
337.23672	55.6
338.23895	1.0
372.01685	0.6
399.32574	1.7
403.35461	0.9
431.18304	0.9
432.19244	0.7
463.37219	0.7
473.36218	1.1
491.24765	1.2
491.36844	1.3
492.25568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3722
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
53.03943	1.2
53.60920	0.9
54.95584	1.0
55.01864	1.0
55.05506	4.9
57.03424	16.0
57.07065	22.5
59.10804	0.8
67.05492	14.7
69.07054	6.3
71.04979	1.0
71.08234	1.6
71.08620	24.4
71.71616	1.5
79.05477	6.0
81.07040	20.9
83.04958	6.8
83.08591	4.2
85.10166	13.0
91.05479	4.7
93.07027	5.1
95.04935	2.0
95.08586	20.5
97.06502	2.6
97.10131	1.7
105.07025	3.7
107.04897	1.0
107.08582	2.8
109.06519	1.9
109.10137	4.0
111.04422	4.4
117.07025	1.9
119.08541	3.2
121.06495	1.9
121.10151	1.3
123.11697	1.3
133.06485	1.0
133.10097	1.5
135.08069	1.4
135.11584	1.7
137.09608	1.0
137.13269	1.6
139.07506	7.4
143.08490	1.0
147.08038	2.7
155.14262	11.8
165.09079	7.5
175.07330	1.1
175.14722	1.1
193.15874	2.9
199.16925	4.4
203.14191	0.9
209.18921	1.0
210.18532	5.0
214.18634	0.9
227.21124	1.8
233.18954	1.0
234.10268	0.9
235.10764	1.3
237.18451	100.0
238.18825	2.6
245.19032	5.5
263.19983	5.6
265.12238	1.4
265.21671	1.2
281.21246	1.4
291.23242	2.1
293.21045	47.1
294.21402	1.6
301.21573	20.9
319.22610	12.9
337.23672	29.4
387.15689	1.0
388.16870	0.9
399.32562	18.5
403.19064	2.4
404.19833	1.0
416.16040	1.4
417.21295	1.4
417.33569	3.1
418.21237	1.5
419.22296	1.4
431.18265	5.4
432.19049	3.3
433.23721	1.3
455.35031	4.3
473.36142	20.2
476.21948	1.2
482.38193	1.1
491.24109	10.6
491.37674	17.0
492.25452	6.5
492.38019	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2993
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03935	11.9
55.01866	6.6
55.05502	33.8
57.03425	16.3
65.03942	3.2
67.05495	69.7
69.03420	4.2
69.07053	17.8
70.02502	9.5
70.02923	4.2
70.08427	2.0
71.04980	7.1
71.08616	4.5
77.03918	2.2
79.05483	76.9
81.02926	3.2
81.03409	67.4
81.07044	70.9
83.04977	19.4
83.08611	22.5
84.13684	1.7
84.79260	1.8
85.02901	14.1
85.06543	6.0
88.26646	1.7
91.05464	100.0
93.07029	67.4
95.04947	43.3
95.08592	33.3
95.89798	1.9
97.02854	4.1
97.06506	6.0
97.10140	9.6
98.21436	2.5
99.08105	3.9
103.05461	2.0
105.02718	3.9
105.03379	32.8
105.04490	3.4
105.07014	55.8
107.04940	13.6
107.08582	23.7
109.06509	11.0
109.10123	10.7
111.04414	2.4
111.08071	10.5
115.05463	5.3
116.44602	2.1
117.06999	18.7
119.08559	40.9
121.02866	12.8
121.06475	6.1
121.10119	16.9
123.08060	6.9
123.11682	9.2
125.09616	5.7
128.06206	4.4
129.06976	26.9
131.08537	15.9
133.06471	4.5
133.10092	19.4
135.08072	2.3
135.11705	6.2
137.09599	3.5
142.07788	2.2
143.08508	13.5
145.10114	13.4
147.08026	3.9
147.11665	40.9
149.09599	4.8
151.11082	2.3
153.12721	2.8
155.08545	4.4
157.10144	13.4
161.09602	5.4
161.13229	8.7
163.11160	5.6
167.08534	3.0
169.10091	2.6
171.11653	23.3
175.11165	10.3
179.14301	4.9
185.13173	2.6
187.13322	3.8
189.11194	3.6
189.12715	10.8
193.12215	38.1
207.13821	27.5
211.13239	24.1
211.14865	2.4
225.05293	2.1
225.14777	2.4
227.12827	5.6
231.13893	3.3
235.13138	2.0
243.15999	4.8
249.14870	8.6
267.15845	36.0
277.21484	2.7
281.17444	28.5
305.17419	4.7
320.54907	1.9
329.17361	2.8
335.48431	1.9
351.25308	15.1
356.28128	2.3
356.92474	1.9
370.10803	10.6
371.14059	2.2
372.08624	3.5
381.24188	5.0
399.25320	5.6
421.25534	2.2
455.27942	4.0
473.28915	82.2
474.29211	6.4
491.15314	9.8
491.30170	51.1
492.30396	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	491.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75008	2.2
52.49720	1.9
53.03928	6.6
55.01863	14.5
55.05500	60.7
57.03415	8.9
59.04989	5.1
61.51897	2.0
67.05492	66.4
69.03414	6.6
69.07055	22.9
69.92806	2.1
70.24129	1.8
71.04971	14.0
73.02905	2.7
73.78215	2.2
74.06921	2.0
77.03896	4.0
79.05480	72.3
81.03401	20.3
81.06593	3.8
81.07041	59.0
83.01299	3.1
83.04975	19.2
83.08607	37.4
85.02869	8.5
85.06509	8.0
87.04455	1.9
91.05461	44.0
93.07030	65.9
95.04955	32.7
95.08595	28.0
97.02857	3.5
97.06506	9.6
97.10155	60.3
99.04415	4.4
105.03354	4.9
105.07012	30.4
107.04942	63.8
107.08578	38.5
109.02836	5.0
109.06499	31.8
109.10158	19.4
111.04416	5.5
111.08058	7.4
115.05422	2.2
117.06988	15.9
119.08559	22.3
121.02848	5.5
121.06488	43.3
121.10117	24.6
123.04407	2.9
123.08038	8.8
123.11724	5.3
125.09608	51.3
128.06172	3.5
129.06995	12.4
131.04903	6.7
131.08553	30.0
133.06439	8.2
133.10092	9.6
135.04439	2.2
135.08012	16.6
135.11659	10.8
137.05956	4.1
137.09586	7.6
139.11140	4.5
141.07031	4.4
143.08539	7.8
145.06468	13.9
145.10141	17.4
147.04404	2.8
147.08005	7.3
147.11664	4.4
149.09621	7.9
149.13223	2.1
151.07535	2.7
153.09102	6.0
153.12738	4.0
155.08589	6.0
157.06496	3.5
157.10127	6.2
159.08009	7.6
159.11641	6.0
161.09561	8.1
163.11151	22.5
165.09064	27.6
167.08488	3.7
167.10614	3.2
169.10112	3.2
171.08005	6.2
171.10199	2.7
171.11700	3.0
173.09618	5.6
173.13229	10.0
174.57927	2.6
175.07503	4.3
175.11139	5.8
181.12169	5.0
183.07933	2.4
183.11688	3.4
185.09514	2.7
185.13205	3.8
187.11150	3.4
189.09335	4.6
189.11195	36.6
191.10637	5.7
191.14262	9.9
193.12177	7.0
195.07962	2.5
195.11691	2.8
197.13097	2.9
199.11122	3.6
199.13272	6.7
201.12769	6.9
209.11684	10.8
213.12692	3.6
217.12279	3.0
219.11676	3.6
219.13762	47.5
220.14130	2.7
227.12709	21.9
233.15347	5.2
237.14745	3.0
249.14870	6.2
257.15359	2.9
263.12808	8.1
267.15964	2.3
271.17206	2.5
273.14877	7.1
275.16403	13.0
339.23251	4.9
349.21429	13.4
353.21207	3.3
357.24008	3.5
367.22638	26.7
371.22119	6.9
381.20267	3.4
385.23666	37.9
389.23096	8.7
403.24664	5.6
407.24222	3.9
417.26740	4.1
441.26096	10.6
445.25714	15.3
459.27347	100.0
460.27658	9.7
463.26941	11.9
473.24390	10.2
491.15411	2.9
491.26062	59.7
491.30078	48.2
492.26059	7.0
492.31302	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	491.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25610	1.5
53.03929	4.9
55.01857	13.0
55.05228	3.3
55.05500	61.2
57.03418	6.0
59.04992	2.8
61.76544	1.2
65.03918	1.9
67.05492	45.2
69.03406	8.4
69.07058	15.7
71.04969	8.7
71.79022	1.6
79.05478	48.0
81.03405	14.4
81.07040	44.9
83.04971	10.1
83.08605	38.8
84.44594	1.4
85.02880	2.0
85.06506	2.9
91.05470	25.6
93.07030	36.2
95.04951	18.9
95.08583	16.3
97.02919	1.5
97.06510	4.9
97.10150	74.8
103.05453	1.9
105.03333	1.6
105.07001	16.8
106.07826	1.3
107.04935	40.1
107.08572	38.7
107.09309	1.9
109.02857	5.0
109.06503	21.7
109.10141	11.1
111.04414	3.2
111.08076	7.6
115.05426	2.4
117.06990	14.3
119.04861	1.7
119.08563	15.4
121.02837	1.5
121.06485	25.8
121.10130	12.1
123.04411	2.6
123.08041	6.2
123.11678	2.3
125.05939	1.8
125.08677	2.9
125.09607	58.8
128.06172	3.3
129.06975	8.2
131.04904	4.0
131.08551	19.5
133.06465	4.6
133.10104	11.4
135.04341	1.6
135.08037	14.2
135.11676	7.8
137.05891	1.9
137.09598	2.7
139.11060	1.8
141.06949	2.6
143.08539	6.1
143.10626	3.9
145.06450	10.5
145.10092	11.8
147.04378	1.8
147.07997	4.8
147.11620	4.3
149.02318	4.5
149.05882	2.2
149.09602	5.9
151.03879	1.7
153.09058	8.5
155.08522	4.0
157.06442	2.0
157.10106	5.0
159.08029	3.5
159.11653	4.0
161.05937	2.4
161.09592	6.0
163.11163	10.4
165.09082	5.1
167.10606	3.5
169.10101	2.4
171.07979	4.5
171.10132	4.3
173.09570	2.5
173.13222	10.1
175.11168	4.7
181.10159	1.8
181.12196	2.8
183.07994	2.2
185.09583	1.9
185.13145	1.8
189.09142	4.8
189.11172	36.8
189.12810	3.1
191.10510	2.3
191.14209	10.7
193.04922	2.9
193.12219	8.1
195.11763	1.4
199.11201	2.5
199.13275	4.6
201.12711	4.2
205.12331	2.1
209.11655	4.7
211.11095	1.9
215.14345	1.7
219.13759	56.9
223.13159	1.5
225.11012	3.5
227.12712	19.5
233.15266	2.8
237.07487	5.5
237.14873	2.4
245.11720	1.6
249.14870	3.0
263.12723	8.9
267.15982	3.1
269.33505	1.4
271.16867	1.6
273.14798	4.1
275.16400	4.9
281.13773	2.3
293.17432	2.7
321.22122	1.5
325.21490	1.5
339.23093	2.4
346.53711	1.5
349.21466	4.6
353.21146	4.0
367.22617	9.6
371.22079	7.6
381.20535	6.3
384.62109	1.6
384.83081	1.5
385.23709	14.5
389.23145	12.3
399.21307	7.8
403.24796	5.0
407.24158	4.0
417.22525	4.4
429.11588	1.6
429.17230	1.7
441.26166	2.5
445.25748	23.3
447.27173	3.5
459.27368	48.1
463.26752	14.6
473.24969	20.3
491.26324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
57.03431	1.8
57.07067	1.2
59.09117	0.2
67.05482	0.8
68.05837	0.2
69.07046	0.9
71.01340	0.7
71.08612	0.6
71.12181	0.4
71.12505	0.2
79.05470	0.6
81.07041	0.9
83.08571	0.2
84.04491	0.2
85.02886	32.4
85.10190	0.3
91.05463	0.5
92.04968	0.2
93.05785	1.3
94.06558	0.7
95.08590	0.7
98.98434	0.7
103.03917	0.4
105.03365	0.3
105.06996	1.2
106.06541	2.5
107.07298	1.4
108.04463	0.3
113.02323	0.9
118.06521	1.1
119.07298	0.5
120.04434	0.5
120.08090	2.0
121.02795	0.3
121.08888	0.3
122.06001	3.8
124.07535	0.2
125.04697	0.3
131.03368	1.5
131.07364	0.3
132.08080	0.5
134.09613	0.7
135.06770	3.7
136.07556	0.6
148.07550	2.3
149.08340	0.4
150.09106	0.3
155.00975	0.3
162.09099	0.5
162.12762	0.2
163.65894	0.2
164.10741	0.2
204.13852	0.3
206.19057	2.0
216.17461	0.3
218.19011	3.7
220.20580	1.3
232.09674	0.3
232.16882	0.6
232.20549	2.8
234.18460	3.8
235.19125	0.2
244.20599	1.6
246.22200	0.4
248.20061	14.1
258.22107	0.5
260.20065	2.4
260.23090	0.2
262.21832	0.8
274.21658	0.4
276.23175	0.6
290.24777	0.3
336.26108	0.7
342.31433	3.2
360.32535	66.9
361.32745	1.8
372.08563	0.9
376.07999	0.5
386.34039	0.3
430.32870	0.3
472.34143	0.3
474.57376	0.2
490.35181	100.0
491.15967	0.3
491.35519	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03943	5.0
55.01863	19.6
55.05502	32.4
55.38634	0.7
56.05798	0.7
57.03424	8.5
57.07062	2.3
59.04998	5.4
65.03935	2.4
67.05495	24.8
69.03408	1.9
69.07060	7.6
71.01334	2.6
71.04976	7.5
71.11456	0.6
71.52406	1.7
77.03913	0.7
79.05480	40.8
81.03408	22.9
81.03848	0.6
81.07043	33.5
83.01331	15.7
83.04967	25.8
83.05465	1.3
83.08605	16.6
85.02880	5.4
85.06504	1.8
91.05465	28.1
93.07029	49.1
95.04955	15.8
95.08596	16.6
97.02885	5.4
97.06509	9.7
97.10167	2.6
99.04441	4.1
102.05864	0.8
103.05439	1.8
105.03395	0.8
105.04512	0.9
105.07015	20.0
107.04940	16.5
107.08577	25.8
109.06505	12.0
109.10139	3.8
111.04445	6.7
111.08078	3.3
113.44686	0.6
115.05427	1.6
116.06239	0.6
117.06997	16.2
119.08564	16.0
121.06483	6.4
121.10124	14.4
123.04414	1.9
123.08046	15.5
125.05946	3.7
125.09631	2.6
127.03944	0.7
129.07034	3.3
130.07777	3.7
131.04926	1.4
131.08568	7.5
133.10127	2.5
135.08040	4.0
135.11676	23.5
136.11984	0.8
137.09613	2.3
139.07584	1.3
139.11165	0.7
143.08543	1.3
145.06438	1.3
145.10104	29.2
146.61217	0.7
147.08035	3.1
147.11606	0.9
149.06023	1.0
149.09612	1.7
153.12708	10.7
155.08594	4.0
163.11156	58.2
164.11484	0.7
165.09158	0.9
171.23726	0.8
173.09625	7.9
181.12186	9.7
191.10640	8.5
195.67244	0.6
209.11697	20.9
227.12752	14.3
265.14325	1.7
268.93423	0.8
275.19138	0.7
283.15518	1.7
318.97260	0.7
476.96283	0.8
491.26337	100.0
492.26886	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	490.2581
Annotation	Decaturin C
Peak:m/z	Relative Intensity
50.82704	0.4
53.37805	0.3
55.05499	0.4
57.07063	1.0
66.86150	0.3
67.05494	0.8
69.07054	0.6
69.63391	2.0
69.63824	1.6
71.08604	1.0
74.64884	0.3
76.22125	0.4
79.05444	0.4
81.07037	1.0
85.10203	0.5
95.08589	1.4
97.10201	0.4
109.10165	0.4
128.10390	0.4
139.13373	0.3
167.07092	0.4
202.54181	0.3
220.07469	1.0
232.07487	0.5
233.08287	0.5
234.09132	1.1
246.09065	1.3
248.07025	3.8
249.05412	0.9
249.07817	1.1
262.08603	3.2
263.09335	1.0
264.10175	1.8
265.08517	0.8
272.07114	0.4
274.08585	4.0
275.09311	1.8
276.06543	3.8
276.10147	1.0
277.07315	5.1
277.10675	0.6
278.07996	0.8
286.08511	1.0
287.09415	1.2
288.10120	0.8
290.08218	0.7
290.11646	0.9
291.08902	1.6
292.09619	19.2
293.10168	0.9
298.08496	0.5
300.10095	0.6
301.07343	0.8
301.10745	0.4
302.08115	3.7
303.08847	1.1
306.11212	1.8
307.11856	1.1
311.09021	0.4
312.10153	1.3
314.08173	0.8
315.08890	0.9
316.09705	1.2
317.10349	0.8
318.11194	2.9
320.09137	7.6
320.12872	0.4
321.09860	5.2
325.10928	0.5
328.09772	1.0
330.11218	1.0
332.12860	1.7
336.12231	17.4
340.09598	0.8
344.12640	0.4
390.34384	0.5
411.22107	0.8
414.20609	0.6
418.23584	0.4
427.21481	3.2
428.22214	7.0
429.22485	1.0
438.20367	0.5
439.21533	1.0
440.22379	0.5
442.20230	0.8
444.25336	1.3
446.22922	0.8
447.23636	0.6
456.21597	11.1
457.22348	7.4
458.23248	0.5
462.25925	2.2
472.24753	22.4
473.25253	1.1
474.22665	0.7
475.23837	0.7
490.25803	100.0
491.26187	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	490.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	3.1
69.65894	1.2
69.66324	3.6
85.02883	7.5
87.04420	0.9
91.03912	0.6
97.02827	2.1
98.20637	0.5
127.03867	1.4
165.06955	0.6
184.02791	0.6
191.08409	0.8
207.07906	0.9
208.81686	0.5
209.09444	0.8
219.07950	0.8
220.08723	0.6
221.05943	0.6
222.06731	0.6
223.07565	0.7
225.09045	1.7
226.41974	0.6
233.05930	1.5
235.07468	1.0
236.08261	2.6
237.09050	14.6
247.07649	1.1
249.05360	1.2
249.09125	1.6
251.06679	0.7
251.10617	2.6
253.08582	6.1
257.04453	1.1
264.07755	1.2
265.08548	48.1
266.08984	1.8
267.06433	0.5
267.09979	1.1
279.10211	3.0
280.10886	93.4
281.08063	38.0
281.11151	3.5
282.08536	1.7
295.09671	0.8
296.10382	51.5
297.03876	0.9
297.10681	1.9
298.04242	2.5
310.36740	0.6
311.12717	100.0
312.12982	2.4
328.15482	0.7
348.70947	0.6
473.18024	39.1
474.18335	1.4
490.20755	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.5
57.37399	1.2
58.99572	1.4
69.03417	3.1
69.07072	2.3
70.02921	2.0
70.06564	2.5
71.78085	1.6
72.08123	2.0
73.06529	1.9
74.00646	1.4
79.05450	1.3
83.04958	8.4
84.04485	2.1
85.02886	4.1
86.09695	5.4
88.03977	24.1
91.05469	2.8
93.07003	1.9
95.04950	1.5
95.08616	1.6
96.35854	1.3
99.04467	1.7
105.07018	18.3
107.08585	7.3
108.08105	3.5
111.02641	3.2
117.06973	2.4
119.08562	9.5
120.08087	3.9
121.06515	2.2
121.10138	3.1
122.02673	1.9
122.09641	2.9
125.04202	4.6
127.03883	1.7
131.06470	1.3
131.08542	2.6
133.06479	2.9
133.10124	4.8
137.02379	1.9
137.04182	22.7
139.05750	18.6
145.10063	3.9
147.04425	1.6
147.11635	13.4
149.11708	1.8
152.07051	2.4
159.11716	7.1
161.06052	1.5
161.09566	4.6
161.13237	9.2
163.03886	2.9
163.05766	2.6
165.07346	2.2
165.12830	1.2
166.06892	2.3
167.05249	2.7
170.08014	2.2
171.11699	1.9
172.08766	1.3
173.06004	1.3
177.05553	1.7
179.08882	5.2
180.08443	2.3
181.10443	11.7
187.11142	3.7
188.11967	2.0
189.05545	1.4
189.12727	23.8
191.14357	6.1
193.10449	5.0
205.14641	3.6
208.08005	2.6
212.07373	8.9
221.09912	12.4
223.11479	24.7
226.08881	8.7
229.04872	1.6
234.96933	1.9
237.08990	2.0
251.10886	2.1
252.10521	5.7
252.97900	1.9
257.04523	2.5
265.08582	5.0
271.05951	5.1
275.97086	2.5
292.13657	2.5
293.11981	4.1
297.11243	5.1
298.04184	1.5
299.05551	7.6
310.14655	100.0
311.15192	1.9
328.15497	6.5
364.21442	1.5
385.43506	1.3
399.14825	1.5
441.40732	1.4
459.47635	1.3
490.20557	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
51.02354	0.3
52.48321	0.2
53.03933	1.8
55.01853	0.2
69.03413	0.6
69.07074	0.2
70.06561	0.3
75.64134	0.2
77.03933	0.6
81.03400	0.7
83.04967	0.2
85.02888	0.8
93.07005	0.3
95.04946	4.6
97.02888	0.4
99.04400	0.2
105.03368	100.0
106.03716	1.2
121.02863	0.3
121.10107	0.2
127.03910	0.5
147.04431	0.2
159.02878	0.2
166.52347	0.2
174.85233	0.2
207.13774	0.3
207.24095	0.2
208.08368	0.2
224.10651	50.3
225.10954	1.5
242.11729	5.4
250.66603	0.2
287.05493	0.4
296.05914	0.2
328.03418	0.4
490.34384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02597	0.2
50.75133	0.2
55.05474	0.2
55.15842	0.2
56.05014	0.8
57.03424	0.9
61.60804	0.2
67.05482	0.5
69.03412	0.5
69.07054	0.2
70.02098	1.2
74.64983	0.2
81.07040	0.3
84.04488	10.3
85.02889	19.2
86.06030	0.8
87.04453	0.8
93.05780	0.4
93.07039	0.4
95.01328	2.0
95.08561	0.3
98.21409	0.4
102.05522	9.2
105.06991	0.3
106.06522	0.9
107.07330	0.4
112.03954	1.7
113.02328	0.9
120.04472	0.3
120.08086	0.6
122.06023	0.2
124.82673	0.2
130.04977	69.1
130.53836	0.2
131.05290	0.4
135.06787	1.7
145.63937	0.2
147.08211	0.2
148.07561	1.8
149.08319	0.5
157.22052	0.2
162.09100	0.3
162.12727	0.2
164.25436	0.2
185.13242	0.2
206.18996	1.2
232.20535	0.3
234.18440	0.5
248.20059	9.7
260.20032	2.3
274.21628	0.4
334.24054	0.2
360.32538	100.0
361.32858	1.6
386.34149	0.5
418.38248	0.2
471.35275	0.2
472.34106	2.1
489.36816	43.6
490.36969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03929	2.5
55.01851	1.4
55.05499	14.6
57.03415	3.2
57.07051	2.0
59.04988	1.9
65.03924	2.1
67.05492	61.5
69.07056	9.5
69.62768	1.4
69.63177	5.0
71.04974	2.5
73.94309	0.6
79.05479	23.1
81.07040	28.8
83.04965	1.5
83.08605	7.6
85.06538	1.6
85.27693	0.7
91.05463	17.7
93.07027	27.1
95.04945	3.9
95.08590	21.8
97.06540	2.7
97.10168	2.0
105.07010	20.1
105.07705	1.0
107.08572	16.4
109.06503	0.9
109.10134	33.3
111.08064	2.3
116.61832	0.8
117.06998	7.3
119.08556	20.9
121.10133	11.1
123.08075	0.8
123.11710	1.7
125.09611	1.2
129.07001	3.2
131.08548	10.2
133.10110	13.2
135.08118	0.8
135.11652	6.7
137.09570	2.0
137.90651	0.7
137.99802	0.8
139.11095	1.2
143.08537	2.3
145.10098	11.3
147.11656	8.8
149.09682	0.9
149.13246	3.1
151.11101	0.9
155.08546	1.6
155.10640	1.8
157.10190	4.3
159.11662	7.2
161.13237	5.1
163.11151	1.0
163.14812	1.7
169.10144	2.3
171.11661	4.0
173.11740	9.0
173.13264	5.4
175.11125	0.8
175.14839	2.6
181.10092	1.3
183.11688	2.8
185.13234	2.5
187.14798	2.9
189.16403	0.9
197.13199	1.8
199.14810	2.4
201.13057	0.7
201.16371	1.4
205.16156	1.1
211.14760	1.0
213.16429	1.5
231.17418	0.9
239.18015	0.9
243.21140	1.0
249.16316	1.1
259.20529	1.9
261.22177	2.4
271.20718	0.9
273.22083	0.9
285.22043	1.2
287.23587	0.8
299.23801	1.2
301.64120	0.8
341.24649	1.0
357.98874	0.7
377.26962	1.7
379.29944	5.7
391.28595	0.8
397.30908	8.1
415.32068	2.6
471.34689	9.1
489.35727	100.0
490.36096	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	489.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01858	1.6
55.05505	7.4
57.07066	1.2
57.67110	0.8
62.75159	0.8
64.30849	0.9
65.03918	2.4
67.05492	5.5
69.03403	0.9
69.07067	6.0
71.78951	1.1
75.64435	0.7
79.05477	2.0
81.07046	4.6
83.04966	6.3
83.08622	4.0
84.20490	0.8
85.02901	1.2
88.91116	0.9
91.05470	2.4
93.03394	1.0
93.07047	3.1
94.12021	0.8
95.04979	5.1
95.08578	4.9
97.10153	2.8
105.07002	2.2
107.08591	3.0
109.10153	4.7
111.04462	4.0
115.05501	0.8
117.07004	1.6
119.08583	1.8
121.10130	2.8
123.11718	1.3
128.06207	2.0
129.05536	1.0
129.06993	2.3
131.08583	1.7
133.06535	1.0
133.10123	1.1
135.11588	1.2
137.09583	1.4
139.03857	1.1
141.06990	1.9
143.04961	0.8
143.08557	2.6
145.06490	1.8
145.10092	1.4
146.37012	0.8
147.04369	1.3
149.05959	1.6
152.06227	1.1
153.06979	4.3
155.04912	0.9
155.08475	1.3
157.06487	2.3
159.04449	2.1
159.08090	1.4
161.05965	2.7
163.03937	1.0
163.07533	1.3
165.06979	1.4
167.04956	1.0
167.08565	2.6
169.06432	2.3
169.10030	0.9
171.08047	3.4
173.05978	3.6
175.03893	14.5
175.07509	1.4
177.05450	3.1
179.08539	1.0
181.06465	15.9
181.10023	1.7
182.07144	1.2
183.04367	2.2
183.07982	1.9
185.05939	4.9
185.09489	1.1
187.03867	2.5
187.07542	6.0
189.05424	6.3
189.09103	1.2
191.06973	1.0
195.04378	1.0
195.08035	4.9
197.05930	4.2
198.06918	1.1
199.07524	15.8
201.05447	13.3
201.09079	3.3
203.07037	1.5
208.12471	0.8
209.05951	25.1
209.09579	1.6
210.06657	3.8
211.07484	4.0
213.05446	7.5
213.09103	5.2
215.06969	8.6
215.10474	0.9
219.08104	1.6
223.07532	5.8
223.14809	1.8
226.06245	2.2
227.06999	32.7
227.10699	2.5
229.08597	3.3
235.07555	1.5
236.08437	1.1
236.11920	2.6
237.09081	3.6
240.11372	1.1
241.08569	5.2
245.08150	1.3
249.09067	1.8
251.14267	7.6
255.10161	1.8
255.13788	6.3
259.09851	0.9
261.12671	2.0
264.11496	2.0
269.15335	23.3
271.16849	2.0
273.14682	1.3
279.13760	45.8
297.03787	1.8
297.14810	100.0
298.15186	1.7
315.15720	4.8
380.12329	0.8
447.19928	1.0
489.20956	9.6
489.28412	5.6
489.34689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.4
55.01854	2.0
55.05508	13.0
65.47292	1.5
67.05495	9.1
69.03409	2.7
69.07053	20.4
71.12556	4.1
79.05461	4.5
81.03407	2.5
81.07043	7.3
83.04967	9.1
83.08581	5.1
84.47224	1.6
91.05457	3.1
93.07008	4.8
95.04951	6.8
95.08581	3.8
97.10126	4.0
101.06017	1.7
103.05471	1.7
105.06992	2.6
107.04909	2.4
107.08536	2.7
109.10121	3.3
111.04416	7.6
111.08039	2.0
117.06996	1.7
119.08531	4.4
128.06215	1.9
129.06998	4.2
131.08499	2.8
135.11613	2.1
141.06923	1.7
143.08560	1.8
145.10034	1.6
147.11670	1.9
152.06133	2.3
153.06946	10.7
155.08505	3.8
157.06400	2.3
161.05923	3.9
167.04941	2.7
167.08507	3.8
169.06509	8.0
171.07971	5.0
173.05969	3.6
175.03876	2.7
175.07466	2.3
177.06972	4.5
181.06456	21.1
181.10097	3.4
183.08011	5.6
185.05923	4.3
187.03908	3.4
187.07495	8.0
189.05417	12.1
191.08345	2.1
195.08070	7.7
197.05927	10.5
199.07512	33.1
201.05399	10.4
201.09033	6.4
205.06468	4.0
207.06483	2.0
209.05893	6.3
209.09625	3.8
210.06596	7.4
211.07497	9.6
213.05440	27.4
213.09004	13.6
215.06990	20.7
215.10579	2.1
221.09650	2.5
223.07516	13.6
223.14761	1.8
225.09010	1.9
226.06105	1.7
226.09755	2.0
227.07021	27.7
227.10587	21.0
229.08641	3.5
237.09134	3.4
239.10690	5.3
240.11429	2.3
241.08507	9.0
245.08064	9.3
247.09634	5.3
251.14305	7.6
255.13750	13.6
259.09512	5.4
269.15326	45.6
271.16867	3.8
273.11188	3.4
279.13721	25.4
297.14822	100.0
298.15149	2.9
315.15839	21.7
327.04538	1.5
345.31027	1.6
357.51382	1.4
471.27060	2.7
489.20667	6.0
489.28186	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	489.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.9
67.05475	3.8
68.08491	1.4
69.03413	2.4
69.07056	6.5
71.78910	2.1
79.05482	3.0
81.03435	1.7
81.07042	4.7
83.04963	4.6
84.04501	1.6
85.02893	1.7
91.05460	1.6
93.07008	4.0
95.04916	2.1
95.08578	5.3
97.06490	1.7
97.10162	2.7
105.07034	2.2
107.08598	2.8
109.10144	2.1
111.04440	1.9
115.48020	1.3
116.49644	1.3
119.08531	1.7
121.10111	1.8
123.08189	1.3
128.06241	1.3
129.05482	1.4
131.05019	1.5
131.08557	1.4
143.08546	2.5
153.06984	3.3
157.06435	2.2
159.08052	1.9
161.02312	1.7
161.05936	2.9
165.06993	1.9
167.08600	3.0
169.06509	2.5
171.08035	2.2
173.05994	3.5
175.03894	10.2
175.07498	2.6
181.06451	14.8
181.10005	2.8
183.08058	1.6
185.05972	6.4
187.03864	3.9
187.07513	6.7
189.05467	4.2
195.08057	4.3
197.05972	3.8
199.07520	14.5
201.05359	9.3
201.09108	3.2
209.05960	18.9
209.09488	2.0
209.11412	2.0
210.06737	4.5
211.07541	4.3
213.05515	9.1
213.09084	2.4
215.06975	10.1
219.08156	1.5
223.07559	6.8
223.14810	3.1
227.06982	29.1
227.10562	3.3
228.40369	1.5
229.08540	1.7
235.07594	1.5
237.09091	3.7
241.08551	5.7
251.14240	5.8
255.10077	1.7
255.13756	6.0
261.12793	2.2
264.11563	2.3
269.15335	23.9
279.13748	33.4
297.03839	2.1
297.14813	100.0
298.15039	1.6
315.15921	4.1
327.04880	9.3
339.05042	3.2
369.05951	2.8
471.09476	1.6
489.10272	4.1
489.21310	8.4
489.27792	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	2.4
57.07067	9.8
59.45770	1.3
67.05491	3.4
69.07043	1.5
69.35384	1.4
71.08614	4.0
81.07038	2.4
83.08595	2.5
85.08009	1.3
85.10186	3.4
87.04448	2.1
95.08595	4.5
109.10148	2.6
233.08368	1.8
234.09047	2.5
248.06985	1.9
262.08624	9.1
263.09439	2.5
274.08646	2.2
277.07312	2.1
290.08066	24.1
291.08798	33.5
292.09402	1.8
306.11197	100.0
307.11517	1.8
328.09528	3.3
340.46292	1.3
346.10229	1.5
389.46198	1.4
488.27896	84.1
488.36755	8.0
489.28348	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	488.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.1
55.05499	13.1
57.07070	36.6
59.91611	2.0
60.04505	7.3
65.03933	3.0
67.05494	16.7
69.07052	8.9
70.02941	9.2
71.08620	20.3
71.81044	3.4
79.05476	5.0
81.07046	15.3
83.04984	2.0
83.08596	11.7
85.10174	13.1
88.03971	13.1
91.05443	3.5
93.07029	4.5
95.04953	3.6
95.08590	29.3
96.04456	3.2
97.10181	5.7
98.06022	3.6
102.09151	3.2
104.37601	2.0
105.03330	1.9
105.07003	5.8
106.05008	4.9
106.06520	2.3
107.04897	3.4
107.08545	2.6
108.04502	3.0
109.10122	8.7
110.06010	3.3
111.04465	2.5
112.03946	2.2
116.03435	26.1
119.08540	2.7
121.02827	2.1
123.04405	6.8
124.03924	8.3
124.07549	2.4
126.05475	3.0
132.21692	2.2
134.05994	3.8
138.05513	3.4
139.03886	9.2
142.04968	2.5
150.05403	2.5
152.03406	22.8
152.07100	7.6
153.01855	2.4
154.04968	5.3
162.05524	7.2
162.41748	2.0
168.02849	4.0
169.94368	2.0
170.04503	2.6
172.06030	4.7
178.05086	2.4
180.02933	16.0
180.06496	14.9
182.04462	2.2
182.90059	2.1
183.17361	2.4
190.04939	2.2
194.04460	5.2
196.02364	2.2
196.06068	4.0
198.03947	5.3
198.07613	2.5
206.04485	3.3
208.06030	9.3
214.03471	6.7
224.05540	2.9
226.07014	20.9
242.02977	3.3
242.06543	3.9
244.08139	7.1
252.04858	2.9
254.06488	2.4
272.07709	2.7
288.07138	7.6
290.08566	6.2
298.05463	4.4
306.20532	4.8
316.06516	6.7
316.18869	2.6
324.21606	2.4
334.20117	31.2
337.20135	3.3
355.21283	4.0
362.19531	8.9
370.22385	3.9
380.20618	53.2
390.22696	2.4
408.23746	38.1
424.23294	4.9
426.24872	9.1
434.21649	6.2
438.68253	2.0
442.24316	9.1
452.22809	8.0
470.19052	4.4
470.23929	63.4
471.24167	4.1
488.24823	100.0
489.25275	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	488.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	0.8
58.65865	0.3
60.26551	0.3
67.05495	0.4
69.07047	0.3
71.08624	1.0
81.07037	0.5
87.04451	3.6
95.08570	1.0
98.55113	0.4
101.51891	0.3
106.43864	0.3
188.77173	0.3
192.08000	0.4
194.07166	0.4
206.09671	0.4
207.10490	1.7
214.33530	0.3
218.09598	0.5
220.07585	0.7
234.09125	1.0
235.09865	1.1
246.09052	0.4
248.07059	2.5
249.07787	0.8
249.64288	0.3
251.05713	1.4
262.08582	3.7
263.09363	39.4
264.10007	1.9
274.08630	0.9
276.06516	0.7
278.11661	1.0
290.08035	1.8
291.08844	100.0
292.09216	1.4
302.08072	2.0
306.11188	89.2
307.11481	1.3
317.10464	0.9
334.10669	98.9
335.10974	1.1
442.23819	0.6
460.24646	1.4
466.60971	0.3
470.23322	1.1
488.24384	3.0
488.35550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07216	0.7
52.45789	0.6
55.05491	0.9
57.07064	8.2
57.61127	0.7
60.42776	0.6
67.05482	2.9
68.33609	0.7
69.07050	1.1
69.71627	0.6
71.08627	3.8
71.83150	0.9
81.07024	2.9
83.08630	0.7
85.10155	2.4
85.96011	0.8
89.06055	0.7
95.08570	4.9
109.10157	1.9
127.02515	0.8
169.15802	1.0
193.08858	1.1
221.08295	1.6
249.07817	17.3
270.47745	0.7
277.07288	78.1
278.07693	0.8
292.09622	61.2
314.07996	2.0
320.09122	100.0
321.09561	0.8
334.10718	0.9
342.07550	4.9
391.34280	1.0
460.24902	1.2
470.23361	1.6
488.24261	5.7
488.36615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56231	16.5
53.29252	18.2
55.05498	19.2
56.40164	26.5
63.96708	20.6
69.03393	25.2
70.06573	32.2
70.65797	72.3
75.05723	20.2
79.05489	23.9
81.03391	25.7
81.07014	26.8
85.02878	56.2
86.09689	24.9
91.05469	17.9
95.04919	22.7
95.08585	36.9
97.02866	21.2
97.06516	55.0
97.92329	19.3
99.04419	33.2
103.03909	23.7
105.03412	27.8
105.07003	32.2
107.04954	27.0
109.02852	22.1
109.10155	25.1
127.03876	45.6
145.04933	28.4
159.11667	21.0
163.03853	31.8
163.07564	54.8
167.07083	25.4
195.10083	100.0
261.11118	60.1
382.09967	22.6
436.14246	21.2
480.50336	21.5
489.10474	43.7
512.70343	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	0.5
57.07061	3.9
60.03454	0.2
65.55697	0.3
66.42341	0.2
67.05495	1.6
69.07037	0.5
69.27286	0.3
69.52673	1.5
69.53093	1.0
69.88587	0.2
71.08614	4.4
79.05445	0.4
79.16045	0.3
81.07030	3.3
82.46479	0.3
85.10167	1.9
95.08594	4.0
98.20590	0.5
98.21198	1.1
98.87003	0.3
109.10052	0.3
124.11475	0.3
155.14296	0.5
191.26044	0.2
209.08296	1.2
211.72127	0.2
220.07484	0.4
222.06694	0.2
224.06940	0.6
233.06189	0.3
233.08195	1.4
234.09055	3.0
237.07878	1.4
240.15363	0.2
241.07358	0.6
245.08327	0.5
246.09175	0.5
247.09706	0.3
248.07040	2.8
249.05464	3.3
249.07800	0.5
250.06186	0.5
260.06866	0.3
261.07846	2.3
262.08566	12.8
263.09332	4.4
265.07202	0.4
273.07870	0.5
274.08575	3.5
275.09357	0.4
276.06454	1.3
277.07355	2.3
278.08234	0.2
278.11691	1.4
278.14453	0.3
287.09549	0.3
288.06537	0.5
289.07166	0.6
290.08057	29.7
291.08829	36.3
292.09232	0.4
305.10538	0.4
306.11182	82.4
307.11548	1.4
311.09030	0.3
313.07480	0.3
314.08112	0.4
327.08966	0.7
328.09515	1.3
332.09332	0.3
334.10660	100.0
335.10928	1.6
356.09033	3.3
366.87213	0.3
371.11191	0.4
453.35587	0.3
460.24704	1.6
470.23083	1.4
488.24258	5.0
488.35767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59872	1.4
53.00300	1.5
53.03928	2.1
55.01862	9.5
55.05505	10.7
55.90073	1.5
56.05581	1.5
57.07064	25.9
65.03904	1.8
67.05492	17.9
68.05013	1.6
69.03411	1.7
69.07058	23.0
70.02936	3.7
70.99538	4.7
71.08618	31.8
73.02908	1.4
79.05491	7.6
80.05002	2.6
81.03393	1.1
81.07040	27.5
81.59096	1.3
82.02915	3.1
82.06543	1.5
83.04954	2.3
83.08610	7.7
84.04488	7.7
85.02888	1.7
85.06537	1.8
85.10171	14.3
88.03977	8.0
91.05466	3.6
93.03411	1.2
93.07019	4.3
94.02924	2.4
95.04959	4.4
95.08595	24.5
96.04488	4.4
97.06516	2.5
99.00810	14.5
99.17393	1.2
105.03378	1.9
105.06993	4.5
106.06523	1.7
107.04951	1.4
107.08584	4.3
108.04462	2.8
109.02859	2.2
110.02385	15.9
110.06033	6.3
111.08047	1.5
112.03953	1.7
116.03481	1.8
119.08583	2.1
120.04447	3.9
121.02845	3.5
121.55550	1.5
122.02393	2.3
124.03941	5.7
126.01852	1.6
126.05517	1.5
127.03867	1.4
128.03329	1.5
131.08582	1.5
132.04448	1.5
134.02347	2.1
134.04457	3.4
134.05997	6.5
135.11728	3.1
136.03908	9.1
136.07562	2.6
137.13307	1.6
138.01831	24.4
138.05490	5.3
140.03409	3.7
146.05992	2.1
148.03905	9.2
148.07581	3.0
150.05511	2.1
151.03864	2.1
152.03387	4.8
153.12703	7.0
154.01352	1.8
154.04950	2.8
155.14287	6.1
156.02933	4.0
162.01859	5.1
162.05472	8.1
164.03429	5.1
164.07037	3.7
165.01859	1.8
166.04974	5.0
176.03485	2.8
178.04939	2.0
180.02913	9.3
182.04482	2.9
183.08049	1.5
186.03935	4.2
188.03427	2.2
190.01323	3.2
190.04984	13.0
190.08504	1.5
192.06586	1.7
193.01320	1.9
194.04482	5.3
196.02293	1.7
200.03613	1.3
200.05531	4.5
202.04958	1.6
206.04477	2.5
208.02446	2.4
208.05988	13.7
212.05478	2.7
218.04472	5.9
222.03925	2.0
224.05542	2.2
226.03453	3.2
226.07022	3.2
232.02231	1.8
234.03963	1.7
236.05545	14.0
236.16429	2.6
252.05043	2.8
254.06561	24.7
254.15073	2.1
254.17516	3.0
258.06036	1.7
260.16437	1.9
262.03354	2.2
262.17966	1.5
264.05032	2.1
264.15945	27.3
270.02460	4.4
270.06088	5.1
272.07617	10.2
276.15790	1.7
282.06195	2.1
290.17538	8.9
300.07181	2.5
306.16879	1.5
308.04031	1.5
308.18561	1.5
309.17136	1.4
316.15356	27.4
316.18982	1.8
318.08133	9.0
326.05103	5.3
334.16507	3.7
334.20248	1.7
344.06082	7.5
354.19031	2.4
362.15881	19.2
362.19937	2.4
370.18701	9.1
380.16925	55.9
382.18649	3.4
390.19153	5.8
396.16486	6.2
406.18643	2.5
408.20090	38.0
410.18121	3.1
422.18152	2.2
424.19724	5.2
426.21210	10.0
434.18210	11.7
442.20569	15.1
452.19003	11.9
470.20157	84.8
471.13644	1.6
471.20053	1.8
488.21204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.4
69.03409	1.0
69.32977	0.2
69.80682	0.4
69.81087	1.5
81.03400	2.2
85.02881	0.6
86.09720	0.3
93.03394	0.3
95.04966	0.4
97.02885	0.8
99.04456	0.3
109.02872	1.1
111.04411	0.4
121.02848	36.1
122.03217	0.4
124.12080	0.2
127.03943	0.5
132.04422	5.8
139.03870	2.7
147.08014	0.7
160.03806	0.5
178.04965	55.9
179.05313	0.9
201.06566	0.3
206.04456	100.0
207.04807	2.0
265.06992	2.3
283.08029	0.6
368.09631	0.4
370.88577	0.2
407.16922	0.2
421.52908	0.3
488.11792	4.4
488.25348	0.3
489.12698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
53.23719	0.8
55.05509	1.3
55.75411	0.7
57.03420	2.5
57.07056	0.9
61.02913	1.3
67.05488	2.4
69.03078	1.5
69.03418	18.2
69.07060	3.5
70.06562	1.2
70.39623	3.6
71.04989	7.6
72.08118	0.9
72.74712	0.8
73.02895	1.4
79.05479	2.5
81.03407	10.5
81.07037	3.4
83.04975	9.8
83.45589	0.8
85.02892	15.4
85.06552	1.3
86.09700	1.2
89.06013	18.7
91.05472	4.2
93.07018	4.3
95.04954	2.6
95.08593	8.0
97.02871	11.3
97.06552	1.8
99.04430	9.0
103.03923	1.8
105.07005	3.8
107.04939	0.9
107.08580	11.1
107.59108	0.9
109.02852	10.4
109.06496	6.2
109.10157	2.4
111.04454	1.7
111.08061	5.8
117.05470	2.5
117.07013	1.6
119.04948	1.0
119.08553	4.1
120.08078	1.1
121.06487	2.1
121.10126	12.2
123.08072	2.4
123.11677	4.3
124.22629	1.2
125.09600	12.2
127.03892	12.5
129.07016	1.0
131.08542	5.4
133.10097	5.9
135.04396	1.5
135.08037	15.0
135.11690	3.6
137.05991	4.4
143.08527	2.6
145.04942	7.4
145.06007	1.0
145.06520	1.2
145.10126	3.1
147.04388	5.3
147.11671	3.2
149.09592	14.4
149.13248	3.9
150.10384	1.8
151.07561	1.0
151.11171	1.1
153.09058	5.7
154.43929	0.8
158.10895	3.3
161.05960	1.7
161.09557	1.2
163.03862	1.6
163.06075	1.1
163.07526	1.3
163.11136	6.1
163.14783	4.1
165.12680	1.6
167.10660	8.7
173.13237	19.9
174.13553	2.4
175.07489	1.3
176.11992	2.4
179.06923	1.1
187.07536	1.0
189.09116	1.1
191.06998	2.5
191.14281	82.3
192.07324	2.4
192.14548	1.8
193.08391	1.0
208.10463	1.0
209.15337	100.0
210.15746	3.9
217.07062	2.5
220.11884	0.9
221.05914	2.7
221.15469	1.1
225.07549	1.1
233.10252	1.2
243.08577	3.8
249.05376	1.6
260.09778	1.2
261.09518	5.4
277.05002	0.9
278.10861	1.0
279.10812	2.7
295.06052	6.0
299.16425	1.5
317.17429	1.9
326.06662	1.2
451.23282	1.3
452.16245	1.4
469.24362	8.6
470.17044	1.4
487.25458	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	487.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35750	0.5
53.03939	0.9
55.05491	1.9
57.07052	0.6
63.13417	0.5
65.03924	1.2
67.05492	2.7
69.03422	5.1
69.07056	2.9
70.07375	0.6
70.20804	0.6
70.97331	0.7
70.97668	1.2
71.04977	1.9
72.08123	1.2
79.05480	6.1
81.06657	0.8
81.07050	7.8
83.04961	3.2
84.57146	0.7
85.02891	1.5
86.09688	4.3
89.06018	8.7
91.05458	3.9
93.03342	0.7
93.07031	3.8
95.04931	2.4
95.08575	1.7
97.02879	2.0
97.06512	4.7
98.06783	0.6
99.04450	0.9
103.03902	0.6
104.57224	0.6
105.07011	5.8
107.04945	3.9
107.08577	18.9
108.08870	0.6
109.02863	1.2
109.06468	3.0
109.10147	4.6
111.04414	2.3
115.05431	0.8
117.06995	1.4
119.04915	0.7
119.08563	3.4
121.06496	1.9
121.10135	10.1
122.07257	4.3
127.03887	2.1
129.05431	1.4
131.08502	1.6
133.10107	100.0
134.10463	1.4
135.04384	1.2
135.06468	1.8
135.08023	8.1
135.11656	1.3
136.04726	0.8
137.09595	46.8
139.03888	1.6
145.02806	1.5
145.04935	1.9
145.10016	0.9
147.06444	0.8
147.11642	1.6
149.09592	0.9
149.13232	8.2
150.13638	0.6
157.05049	1.4
158.10847	1.0
161.09480	0.7
163.03873	11.9
163.14801	1.8
164.04231	5.5
168.22568	0.6
173.13219	4.2
191.14276	64.8
192.14638	0.8
193.07120	1.3
194.07471	0.7
201.09131	1.2
204.48006	0.6
209.15350	8.4
232.10506	0.9
243.13426	2.0
245.18517	1.0
259.09631	10.6
260.09970	18.4
261.09885	0.7
295.13464	1.1
335.09244	1.1
452.16235	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00660	0.7
53.03917	0.9
55.01854	1.5
57.03424	2.6
61.02900	1.4
69.03416	13.8
71.04974	5.1
71.38680	1.3
71.39030	1.6
81.03405	16.1
81.82399	0.7
85.02878	3.5
86.09680	1.2
87.04453	0.7
91.05454	0.8
92.23157	0.8
99.04440	7.5
113.54742	0.7
117.05459	2.0
118.06516	2.2
127.03900	0.9
131.66995	0.8
145.07596	3.9
147.09131	6.2
163.03885	1.5
163.08604	1.4
173.07088	10.0
175.08656	7.6
190.09363	1.0
191.08125	100.0
192.07208	1.8
192.08723	1.1
205.09760	1.2
215.11690	1.1
233.09114	1.2
254.70624	0.8
260.10196	1.2
278.10822	1.2
289.11740	1.8
295.05963	0.9
307.12820	27.5
325.13889	93.7
326.14230	2.0
470.17542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83826	1.0
53.03926	1.4
53.24221	1.1
55.01855	4.3
55.05503	9.6
57.03430	1.3
57.06828	1.5
57.07069	22.1
67.05490	13.0
68.04990	1.9
69.03407	4.5
69.07056	24.8
70.06578	6.2
70.14078	6.6
71.08295	1.3
71.08622	16.9
79.05476	6.0
80.04994	2.2
81.03406	1.1
81.07044	13.3
83.08621	5.8
84.04485	2.7
85.02855	1.6
85.10162	9.4
86.06031	4.9
86.09667	6.9
87.04453	5.3
91.05469	2.6
93.03388	1.9
93.07006	5.1
94.02898	2.2
94.06537	3.6
95.04955	3.3
95.08587	21.0
96.04475	3.3
97.06499	2.2
97.10165	2.2
98.06034	30.3
98.06677	1.5
98.20753	1.6
105.03400	1.6
105.07009	3.8
107.08582	2.6
109.02850	1.2
109.06480	1.2
109.10139	3.5
110.02388	3.4
110.06025	5.2
119.08572	1.7
120.04453	1.8
121.02844	2.4
121.06506	2.0
121.10130	2.0
122.02338	3.8
122.05985	6.0
122.09648	1.2
123.04422	2.8
124.03937	2.0
124.07571	3.6
131.04953	1.3
131.08580	1.9
133.10081	2.2
134.05983	2.6
135.08057	2.5
135.11667	1.4
135.19769	1.3
136.03964	2.0
136.07544	2.7
137.02299	2.7
137.05949	5.5
138.01805	7.0
138.05457	5.5
138.09109	1.2
139.03856	8.0
140.03320	1.5
140.07011	1.8
147.11597	1.4
148.03929	1.8
148.07553	2.3
148.11182	1.1
149.02313	2.2
149.05910	1.5
150.01788	1.3
150.05487	6.7
150.09117	11.1
152.03337	1.5
152.07069	3.8
152.10652	1.5
153.01791	7.0
153.12733	2.0
154.02234	1.5
155.03299	1.8
155.14262	1.5
161.05954	1.4
162.05458	2.5
162.09138	1.9
163.03845	1.5
164.07094	3.4
166.04991	3.4
167.03375	3.4
176.07005	2.5
177.05399	1.4
178.05000	6.6
178.08609	14.4
178.12216	2.7
188.07083	1.9
190.08499	1.4
192.06482	1.6
194.04457	2.1
194.08090	2.5
196.06029	2.0
196.09636	1.9
198.11232	3.1
200.20052	3.6
206.08090	19.1
206.11665	13.2
215.03278	1.7
222.07558	1.6
224.09103	11.3
224.12639	1.9
234.07462	1.3
234.11136	2.3
242.10030	1.9
248.09148	1.9
252.08424	1.4
252.12231	10.0
264.15961	8.2
268.08017	2.9
268.11880	1.2
270.09583	1.5
270.13303	7.9
276.15891	1.6
276.23151	1.7
285.04044	1.6
288.10840	2.0
290.21161	1.6
294.16998	2.8
302.20941	1.6
304.22775	1.6
313.03326	5.1
314.03708	8.8
314.08453	1.5
315.19720	1.3
316.13998	1.8
316.22589	2.8
320.21967	1.4
322.23843	1.3
324.10693	2.1
326.03888	1.6
327.04807	3.1
328.05145	3.0
330.03146	2.6
332.22150	44.7
332.26096	2.4
333.22455	1.8
342.11722	3.2
355.04446	2.2
356.04718	3.1
360.21616	16.5
368.24170	3.8
376.24750	2.1
378.22675	50.6
380.24265	2.3
386.23444	1.8
388.24673	3.1
394.21710	1.7
404.24405	1.4
406.25848	41.5
407.26245	1.8
422.25131	4.3
422.94681	1.2
424.26910	10.5
432.23703	3.1
440.17868	3.1
440.26434	8.0
450.24951	6.5
468.17273	31.3
468.25760	48.0
468.32471	2.4
469.17758	2.6
469.25760	1.9
486.18396	18.3
486.26782	100.0
486.41290	4.7
487.18643	2.5
487.26907	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	486.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77947	1.4
52.81674	1.3
53.03926	3.0
53.16718	1.3
55.01864	10.3
57.07060	5.8
67.05477	5.5
68.56098	1.4
69.03430	8.9
69.07058	7.6
69.89316	9.5
70.02928	3.5
70.06562	4.4
71.04967	2.1
72.04502	22.0
73.02905	10.2
74.02412	2.7
81.03400	17.4
83.04989	6.8
83.35999	1.5
84.04456	1.8
85.02891	9.9
85.06530	6.8
86.09675	4.9
87.08089	3.5
88.03944	2.1
90.05541	36.4
94.01630	1.3
95.04973	9.2
96.08100	3.5
97.02866	12.5
98.02402	15.3
99.04425	7.7
100.03947	7.9
103.03914	2.2
103.07540	4.5
109.02860	25.6
111.04424	2.6
112.07556	1.9
112.72617	1.5
113.05978	5.9
115.03882	1.4
116.03437	22.6
124.06737	2.5
124.07569	25.0
127.03886	14.4
130.08623	1.8
131.07014	3.2
132.06552	10.6
132.10196	3.2
135.04434	1.6
138.05489	2.9
141.85399	1.4
142.08636	16.8
145.04930	7.2
148.09650	1.4
156.10178	2.4
160.09651	6.5
163.03842	7.9
166.08636	3.6
167.23535	1.5
172.09673	3.7
174.11226	6.2
181.04935	2.3
184.09656	28.5
187.05998	1.7
190.09767	3.2
198.07596	4.1
199.05960	4.9
202.10706	100.0
203.11247	2.6
211.09575	10.0
216.08632	5.1
217.07047	4.9
220.11746	23.2
220.13887	1.7
221.05919	4.3
230.10245	13.1
234.09694	8.9
244.11769	2.1
262.12830	19.8
273.60654	1.5
295.05942	10.7
303.10724	2.5
307.12671	1.9
310.12811	9.5
324.15460	1.8
328.13852	82.4
329.14349	1.7
335.66321	1.7
338.14517	3.0
346.14883	18.2
356.15329	1.5
358.22699	1.7
364.15958	46.8
468.20718	2.3
486.13550	1.8
486.20706	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	485.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.01852	0.3
55.05497	0.9
56.60547	0.1
57.03432	0.6
57.07063	1.3
61.02920	0.1
63.02365	0.1
65.03925	0.9
66.81635	0.1
67.05495	0.6
68.18481	0.1
69.03410	1.0
69.07056	0.8
71.01340	0.1
71.04980	0.4
71.23814	0.2
72.63662	0.1
72.71517	0.1
72.92913	0.1
73.02898	0.3
73.06529	0.1
74.43750	0.1
75.76552	0.1
78.04703	0.3
79.05479	1.6
80.78418	0.1
81.03394	0.6
81.07034	1.2
83.04971	0.4
83.08594	0.3
85.02892	0.8
85.06528	1.4
87.04431	0.2
87.08087	0.1
89.03943	0.1
91.05463	44.2
92.05770	0.4
93.07026	0.8
95.04936	0.3
95.08566	0.3
97.02870	0.3
97.06467	0.2
97.10111	0.1
99.04424	0.2
99.08053	0.2
103.03920	0.1
103.05448	0.4
104.06229	3.1
105.07011	8.1
107.08569	0.3
109.06493	0.6
111.04431	0.1
111.08063	1.5
115.03867	0.2
115.05424	0.1
115.07543	0.1
117.06973	0.3
123.08022	0.7
125.09582	0.3
127.07525	1.0
129.05441	0.2
129.07014	0.1
129.09091	0.3
131.08536	0.5
133.10103	100.0
134.10422	1.0
135.07996	0.3
137.09621	0.2
139.07455	0.1
140.84106	0.1
141.09097	0.1
147.08025	3.0
147.09061	0.1
147.11592	0.1
148.08304	0.1
149.09587	3.4
149.10786	0.2
151.07483	0.1
153.09068	1.3
159.11766	0.1
169.08582	0.2
171.10144	2.3
171.11537	0.1
189.11189	1.2
274.04733	0.1
333.16934	0.1
477.39548	0.1
485.28970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.1
55.01840	1.0
55.05484	0.3
57.03428	4.0
61.02912	3.2
69.03415	13.9
69.98701	1.1
69.99126	0.6
70.06580	0.5
71.01308	0.8
71.04982	2.0
72.08123	0.5
73.02906	2.1
75.04436	0.8
81.03000	0.3
81.03403	5.1
83.04929	0.3
84.04464	0.3
85.02887	11.5
86.09658	0.4
87.04443	2.1
91.03931	0.4
91.05434	0.4
97.02310	0.4
97.02873	5.2
99.04427	4.5
101.02347	0.5
103.03903	0.4
105.06973	1.1
109.02857	1.8
115.19781	0.3
117.03226	0.3
117.05469	1.1
118.06458	0.5
120.68495	0.3
121.06522	0.6
122.09635	0.6
127.03916	2.1
129.05455	0.3
136.08609	0.3
141.60152	0.3
145.04950	0.7
145.07596	1.1
147.04437	0.3
147.09146	1.2
159.09129	0.3
163.03888	0.6
163.08649	0.6
164.07065	0.3
172.08665	6.7
173.07112	1.4
175.07356	0.4
175.08647	2.2
189.08789	0.5
189.10349	0.4
190.09717	41.6
191.08115	25.8
192.08522	0.4
202.09715	0.4
214.09697	1.0
221.05927	1.2
232.10802	0.9
249.05421	0.8
251.06960	0.4
259.09784	0.4
285.07602	0.3
289.11600	0.5
295.05948	4.2
306.14410	1.8
307.12823	16.0
308.13208	0.3
324.15463	47.0
325.15671	0.8
398.66620	0.3
469.18201	2.2
486.20752	100.0
487.21008	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	485.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.0
57.03426	5.0
57.06788	1.2
57.07064	21.7
67.05499	5.3
69.03422	0.9
69.07059	4.2
69.89915	6.2
71.08620	15.7
79.05475	1.9
81.07046	9.8
83.08595	3.8
85.06533	1.6
85.10172	8.8
87.04447	1.6
89.06013	0.9
90.79806	0.7
91.05458	10.1
93.07014	1.6
95.04956	1.0
95.08589	10.1
97.06529	1.1
97.10129	2.2
98.98452	18.8
105.07014	42.9
106.07291	0.8
107.08581	1.4
109.10171	4.7
111.08052	1.3
111.11733	1.0
119.08553	0.8
123.08060	1.1
123.11670	2.3
131.08533	1.1
133.10103	38.0
137.13199	1.3
147.08020	3.2
149.09552	1.4
151.07567	1.4
155.01018	10.5
173.02048	1.7
204.99869	0.8
239.23642	2.3
247.05872	1.5
313.27307	100.0
314.27625	3.0
393.23840	3.2
418.03488	0.8
449.26675	7.9
467.31049	0.9
485.32675	2.0
511.32733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1987
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
55.05496	0.3
58.85340	0.3
71.05119	0.6
71.05473	0.8
81.07019	1.9
95.08583	1.2
135.11633	0.4
137.13231	0.9
144.40276	0.4
145.93446	0.3
161.02965	0.5
203.05328	2.1
227.05203	0.6
237.14580	2.0
245.06328	6.0
271.04196	0.9
289.05243	40.1
297.15808	0.4
399.19434	0.5
441.20837	7.0
485.19873	100.0
486.13232	0.4
486.20105	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56313	1.4
59.47658	1.3
69.03426	1.6
71.78775	3.0
81.04557	1.6
82.02964	1.8
85.02884	5.2
86.09692	1.9
86.27282	1.7
89.03901	2.5
89.90179	1.7
91.05476	1.8
94.06554	2.4
95.05000	1.6
107.04958	1.9
110.07155	3.7
117.03372	2.2
119.04924	2.1
121.02860	2.2
121.06531	1.4
123.04431	1.7
123.05470	2.7
129.35965	1.6
130.06508	63.1
132.04439	28.4
135.04398	3.9
136.07552	3.1
143.45595	1.4
145.03473	3.4
146.05957	8.7
148.07593	1.9
153.05478	1.9
156.07773	2.7
157.07588	63.9
158.05994	66.4
163.03862	20.4
164.04283	1.7
167.21069	1.4
169.03387	3.6
175.08641	78.4
176.07158	1.7
176.08978	1.8
185.07019	2.0
187.04454	3.2
188.07057	2.2
189.53729	1.8
203.08130	100.0
204.06573	3.1
204.08359	2.0
212.07175	1.5
221.09178	71.8
261.06375	1.5
274.12686	1.5
310.63132	1.4
322.69589	1.8
383.08469	1.8
395.08051	5.5
413.09393	6.9
431.10049	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2165
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
55.05500	3.5
57.07063	3.3
60.39785	1.2
67.05502	8.7
68.99814	1.8
69.03414	3.9
69.07045	4.9
70.17493	1.1
71.08626	4.2
71.78736	1.7
74.72764	1.3
79.05058	1.3
79.05475	5.1
81.03404	2.8
81.07048	12.4
83.04917	1.4
83.08578	2.9
85.06567	1.3
91.05490	3.7
93.07033	3.4
95.04960	9.0
95.08574	3.2
96.89727	1.3
97.02875	2.2
97.06499	1.6
100.70872	1.3
105.03369	3.4
105.07001	3.5
107.04951	8.0
107.08574	3.5
109.06509	4.0
109.10132	2.1
111.04429	1.5
114.12772	1.6
119.04923	2.6
119.08565	4.7
121.06538	1.4
121.10133	2.4
123.04412	85.5
125.05988	3.3
129.06999	2.3
133.02837	3.5
133.06551	1.4
133.10117	3.2
135.04381	6.4
137.05978	3.5
139.03894	13.7
143.08453	1.9
145.10094	3.5
147.04379	7.2
147.11676	2.3
149.09648	2.9
151.03882	100.0
152.04231	1.7
153.05428	14.2
157.10040	1.7
159.07979	1.3
159.11685	3.3
161.09596	2.0
163.03883	28.2
165.05455	3.5
171.11757	1.9
173.13249	1.5
176.04672	1.3
177.05402	2.0
179.03317	1.8
181.04930	98.0
185.13310	1.7
191.03401	2.9
193.05034	2.4
203.14093	1.5
225.16431	1.4
239.07092	1.7
267.06567	2.3
275.16513	2.3
277.17975	7.0
285.07574	1.7
301.18008	2.1
305.17407	55.6
305.20898	2.8
306.17725	1.5
313.07025	2.5
395.25787	2.4
411.21616	2.1
413.26904	12.5
421.20056	2.2
467.20859	3.2
467.31119	1.9
485.21637	46.8
485.32550	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	485.1801
Annotation	Evodol
Peak:m/z	Relative Intensity
53.03925	0.5
55.01836	0.6
55.05501	3.6
56.20409	0.2
57.03667	0.2
57.07068	2.8
65.03903	0.3
66.37473	0.2
67.01827	0.8
67.05492	4.0
68.99767	2.0
69.03406	0.4
69.07053	4.9
71.08627	2.5
78.86443	0.2
79.05483	1.5
81.03375	0.4
81.07038	5.3
83.08601	1.6
85.10169	1.1
91.01758	0.3
91.05437	0.4
91.61353	0.2
93.07023	0.5
95.04938	0.4
95.08591	3.9
105.03416	0.2
105.06975	0.5
107.04950	0.2
107.08526	0.2
109.10123	0.3
111.00771	1.2
115.05400	0.3
121.02845	0.4
123.04359	0.7
127.03857	0.8
129.06972	0.2
131.04851	0.7
133.02759	0.3
135.04353	0.2
137.02298	1.8
137.05762	0.2
139.03877	1.2
143.04829	0.4
147.04387	1.0
149.02280	0.6
149.05952	0.3
151.03883	0.3
153.01801	23.3
155.04875	0.6
155.14297	0.2
157.06429	0.6
159.04353	0.9
161.02321	1.1
161.05910	0.9
163.03871	1.8
165.01828	2.8
165.06903	0.3
169.06387	0.3
171.02922	0.5
171.04335	0.5
173.05975	1.0
175.03847	1.9
176.04617	0.3
177.01775	0.3
177.05447	0.4
179.03392	0.6
181.01312	1.1
181.06497	0.3
183.02827	0.7
183.04364	0.6
183.07977	0.4
185.05922	0.6
187.03859	2.9
187.07474	0.5
189.01852	1.3
189.05391	1.8
191.03365	0.7
195.08052	0.3
197.05928	0.8
199.03851	0.4
199.07500	0.5
200.04623	0.3
201.01808	0.3
201.05453	1.5
201.09106	0.4
203.03339	3.9
203.07001	0.3
205.01271	0.6
205.04893	0.5
207.02875	1.6
211.03801	0.8
211.07442	0.5
213.05452	1.4
215.03352	5.9
215.06758	0.4
217.04892	0.8
219.02852	0.4
223.02310	1.2
225.05449	0.6
227.03294	0.7
227.06969	0.5
228.04141	0.5
229.01268	0.7
229.04922	4.1
231.02888	2.1
231.06488	0.3
233.04253	0.2
235.07539	0.3
237.05409	0.7
239.03328	1.9
239.07008	0.4
240.04169	0.4
241.04886	0.8
242.05733	0.3
243.02864	1.0
243.06523	0.3
245.04466	1.0
252.04247	0.3
253.04883	2.2
255.02852	3.5
255.06526	0.3
256.03589	0.4
257.04352	2.9
258.05054	0.6
259.06042	0.7
263.06940	0.3
265.04898	0.4
267.02875	0.4
267.06461	0.9
267.13962	0.5
268.03659	0.6
269.04425	1.3
269.15463	0.3
270.05106	0.5
271.02563	1.0
271.05972	0.7
272.03162	0.3
273.03864	5.4
274.04434	0.3
281.04474	2.3
281.07767	0.4
282.05063	0.5
283.02350	1.4
283.05942	0.8
284.03189	2.4
285.03882	6.4
285.07169	0.3
286.04681	1.3
287.05463	0.9
291.06519	0.4
295.02463	0.5
295.06003	0.8
295.13260	0.3
296.02985	1.0
297.03888	2.1
298.04672	0.9
299.02090	0.5
299.05386	3.3
300.02744	0.3
301.03339	5.4
301.06509	0.4
302.04431	0.3
303.04938	8.3
309.03867	0.7
310.04721	0.3
311.01801	0.5
311.05453	2.4
312.02695	0.4
313.03363	54.1
314.03989	2.7
315.04858	1.8
315.15851	0.3
319.06046	0.4
321.03873	0.3
323.05484	1.4
325.03439	1.2
325.06900	0.3
326.04156	4.7
327.04932	17.5
327.15744	0.8
328.05310	0.3
329.02838	9.1
331.04410	0.4
337.03378	2.0
337.07080	0.5
339.04935	4.9
340.05374	0.4
341.02710	0.4
341.06635	0.5
341.13766	0.6
342.03659	0.8
343.04327	2.3
351.04938	0.4
351.08441	0.4
353.06595	0.4
355.04407	19.3
356.05194	0.4
365.06461	0.5
379.08173	0.6
403.15131	0.2
411.18079	1.1
421.16422	0.8
425.15680	0.3
436.75497	0.2
439.17471	12.1
440.17709	0.4
449.16037	2.0
457.18344	0.3
467.16943	100.0
468.17252	3.4
485.17990	62.5
486.18442	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1799
Annotation	Evodol
Peak:m/z	Relative Intensity
55.01874	1.0
55.05503	3.7
57.07072	2.7
67.01851	0.6
67.05494	3.2
68.99802	1.2
69.03409	0.5
69.07049	4.3
69.07362	0.4
70.91351	0.4
71.08280	0.4
71.08630	1.7
71.33473	0.5
71.33837	0.7
79.05508	1.6
81.03403	0.5
81.07034	4.2
83.08617	1.6
85.10172	0.8
88.40253	0.4
93.07025	0.8
95.04979	0.5
95.08593	3.6
105.07012	0.6
109.02839	0.5
111.00791	1.3
112.32967	0.3
121.02845	0.6
127.03890	0.6
131.04918	0.9
135.04466	0.4
137.02350	2.4
137.03311	0.5
139.03925	0.8
147.04430	1.3
149.05942	0.6
153.01799	19.9
161.02412	0.9
161.05942	0.6
163.03958	1.4
165.01878	1.9
171.02913	0.7
175.03946	1.4
177.01942	0.5
179.03452	0.6
181.01247	0.6
183.02914	0.9
183.04454	0.8
185.05965	0.9
187.03987	2.3
189.01796	0.6
189.05501	1.7
191.03333	0.8
193.06342	0.5
199.03888	0.5
201.05504	1.4
203.03348	4.1
205.01215	0.5
207.02948	1.2
211.03754	0.7
213.05534	1.3
215.03328	5.3
217.05087	0.7
223.02400	0.7
225.05414	0.7
227.03452	0.6
227.06995	0.5
228.04196	0.6
229.01321	0.6
229.04869	3.5
231.02916	1.5
239.03372	2.2
241.05080	0.7
245.04344	0.7
253.04865	2.1
255.02864	2.8
257.04431	3.2
258.05032	0.6
259.05984	0.8
267.02856	0.7
269.04453	1.4
271.02582	0.8
271.05978	0.6
273.03873	5.1
281.04572	1.7
283.02396	1.4
283.06116	0.5
284.03085	2.4
285.03934	4.6
286.04718	0.9
287.05560	0.9
295.02432	0.6
295.06024	0.9
296.03186	0.8
297.03955	1.5
298.04779	0.5
299.05490	3.6
301.03354	4.2
303.04913	6.7
309.03983	1.1
309.07407	0.4
311.05515	1.9
312.02701	0.7
313.03363	44.6
314.03952	1.6
315.04919	2.1
323.05557	1.6
325.03473	0.9
326.04126	4.2
327.04944	17.4
327.15866	0.5
328.05334	0.7
329.02832	7.2
337.03348	1.9
339.05014	4.9
342.03705	0.6
343.04486	1.2
353.06509	0.7
355.04419	18.1
411.17914	1.2
425.15787	0.5
439.17432	10.4
449.16006	2.2
467.16949	100.0
468.17209	3.3
485.17990	59.5
486.18387	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01857	0.2
57.03408	0.3
61.02900	0.3
69.03413	2.6
70.06587	0.5
70.99905	0.7
71.04975	2.2
72.08144	0.2
73.02885	0.3
73.31617	0.2
81.03421	1.9
83.04950	0.2
84.04436	0.2
84.36710	0.2
85.02895	3.5
86.06046	0.3
86.09603	0.2
89.06016	9.2
97.02299	0.3
97.02872	4.1
99.04448	1.1
109.02866	1.9
111.04398	0.2
118.03149	0.2
127.03897	2.7
132.04428	4.0
145.04938	3.1
147.04366	0.2
156.35321	0.2
160.03807	0.2
178.04965	48.1
179.05336	1.0
194.06271	0.2
206.04456	100.0
207.04753	1.6
215.09091	0.2
217.07019	0.3
219.02965	0.2
230.04594	0.2
243.08514	0.3
261.09668	0.6
368.09464	0.2
467.56091	0.2
484.14407	7.0
485.15155	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02621	0.3
51.25526	0.3
55.05493	1.5
55.11920	0.3
57.06788	0.7
57.07069	13.6
58.06592	1.7
67.05476	1.4
69.07058	2.3
70.06203	0.7
70.06580	12.9
70.20281	1.3
71.08236	0.5
71.08621	7.0
73.02901	1.1
79.05474	0.3
81.07043	2.0
83.08601	1.8
85.10170	3.2
88.07619	18.0
89.07962	0.3
95.08590	2.8
97.06511	0.3
97.10143	1.2
102.09164	12.1
106.08664	0.6
109.10131	1.1
172.74225	0.3
200.20068	24.5
201.20430	0.5
218.21082	2.3
228.23198	20.9
246.24298	2.1
255.23187	1.5
256.26379	1.9
283.26276	21.6
284.26669	1.2
311.29391	24.2
312.29984	0.8
484.47189	100.0
485.47504	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	485.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48294	0.2
65.03916	1.0
67.05508	0.4
67.62964	0.2
69.03394	0.3
69.07022	0.4
70.06578	0.6
71.50256	0.6
79.05475	0.5
81.07053	0.6
83.04965	0.3
85.06503	0.3
91.05467	12.2
93.07030	0.4
95.04939	0.5
95.08604	0.5
97.06511	0.5
107.08580	0.5
109.10139	0.3
111.04495	0.3
112.64809	0.3
119.04924	25.7
119.08551	0.3
120.05214	0.3
121.10133	0.3
123.11704	0.4
127.03897	0.4
130.96828	0.3
145.10147	0.4
147.04384	100.0
148.04744	2.3
165.05412	0.3
191.17892	0.3
205.06598	0.4
219.17401	0.8
243.06602	0.3
259.09729	0.4
277.08426	0.4
303.08578	2.2
305.07520	0.3
321.09677	1.4
323.09146	0.7
467.13217	2.1
485.12891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.7
55.44740	0.5
57.03426	8.0
57.07063	9.4
67.05489	3.1
69.07059	23.4
70.01876	3.9
70.07359	0.6
71.08614	6.6
76.46902	0.5
76.85146	0.5
79.05471	2.3
81.07047	4.8
83.08606	19.0
85.10162	2.5
91.05442	0.6
93.07022	3.1
95.05005	0.6
95.08592	4.1
97.06538	1.4
97.10155	12.6
98.21403	1.1
98.98453	8.9
105.33990	0.6
107.08578	2.9
109.10155	1.2
111.04408	0.7
111.08075	1.1
111.11690	3.5
114.99226	0.6
121.10139	3.3
123.11648	1.0
135.11700	2.1
149.13197	0.7
151.62270	0.5
155.01044	3.9
173.02086	1.0
219.21040	0.9
237.22122	1.0
263.56467	0.6
297.74185	0.7
303.58871	0.7
311.25757	100.0
312.26193	1.5
438.30020	0.6
442.97998	0.7
447.24835	2.5
482.63766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01857	2.1
55.05491	1.7
57.03417	3.3
59.04979	1.2
61.02901	1.6
62.07269	0.7
67.05463	1.0
69.07059	20.5
70.32027	3.3
79.05476	10.8
81.07037	1.6
83.04949	0.9
85.02900	0.9
85.06521	1.1
88.75981	0.7
89.03905	1.7
91.20235	0.7
93.07066	0.7
95.04945	1.7
96.09526	0.6
97.06514	75.7
103.05489	0.7
105.03358	0.9
107.04903	1.0
111.08045	2.5
117.03365	3.4
121.02920	1.0
129.09111	1.8
133.02802	2.2
135.04402	6.9
145.02821	4.9
145.06435	1.1
147.04370	1.4
157.06425	0.9
159.04390	7.7
161.02315	21.9
163.03876	54.1
164.04233	0.9
169.06448	1.2
170.33720	0.8
173.02319	57.6
185.05968	4.2
187.03902	0.9
187.07510	1.2
191.03357	6.4
213.09235	0.9
215.06996	77.7
216.07365	1.4
233.08051	3.2
241.08559	14.5
259.09616	31.5
273.11172	19.9
273.67416	0.8
291.12216	100.0
292.12549	1.2
370.31720	0.8
465.17184	0.9
502.77747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60763	0.7
53.03929	1.6
55.01855	2.6
55.05503	2.2
57.03418	3.5
66.71235	0.7
67.05489	2.9
69.03412	2.3
69.07058	12.1
70.06565	1.5
71.04989	2.2
71.81689	1.2
71.82040	0.8
79.05477	11.6
81.03412	1.6
81.07045	3.3
83.04956	2.1
83.93045	0.9
85.02879	6.2
85.06539	1.6
85.11182	1.0
89.03900	1.8
91.05470	3.0
95.04961	3.2
95.08625	1.6
97.02876	1.5
97.06516	31.9
99.04433	3.3
103.03931	2.4
105.03381	1.2
107.04929	0.9
109.02859	1.7
109.10187	1.7
111.04434	1.7
111.08054	5.7
112.08838	2.4
115.05431	1.7
117.03372	2.0
117.06984	1.1
119.08597	1.2
119.61831	0.9
121.10142	1.1
127.03918	4.0
129.06982	1.5
129.09084	1.9
131.08563	2.2
133.02835	5.9
135.04381	3.3
141.06969	2.6
143.04907	1.4
144.05740	1.8
145.02805	3.8
145.04955	2.7
145.06448	1.8
145.10114	1.0
147.04382	3.5
147.08084	1.9
151.03848	1.2
157.06425	1.1
159.04401	4.0
159.08005	3.4
161.02310	8.6
162.03116	2.1
163.03894	28.5
167.07100	1.5
167.08539	1.2
169.05014	0.8
169.06479	1.5
171.07922	1.0
173.02325	93.4
174.02715	2.2
175.07513	2.4
177.05457	7.0
179.03497	1.0
179.08449	1.1
181.06441	1.2
182.07222	1.6
183.08032	1.3
184.05267	1.2
184.55133	0.8
185.05943	4.4
187.03914	2.6
187.07539	4.2
190.06276	1.9
191.03349	6.6
195.08055	2.7
197.05928	2.0
199.03853	1.4
199.07501	1.4
201.09180	1.6
205.08601	6.2
207.10136	7.2
213.08966	4.2
215.07005	83.2
216.07568	0.9
219.10138	2.2
223.07603	1.8
225.09189	1.2
231.10037	1.2
233.08032	4.2
239.19746	0.9
241.08563	27.9
241.10893	1.8
257.11716	2.5
259.09634	62.9
260.09967	1.6
273.11176	100.0
274.11584	3.6
285.11179	2.5
291.12149	5.0
303.12201	2.7
317.08243	5.2
321.13214	1.6
483.11310	1.8
483.18073	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	482.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
57.07067	3.1
57.52103	0.3
58.42325	0.3
60.04512	0.5
61.45730	0.3
67.05508	1.6
67.24433	0.3
69.07059	2.2
69.54958	2.7
71.08620	1.8
79.05479	1.6
81.03404	1.0
81.07040	2.3
83.04938	0.3
83.08628	0.6
85.10181	0.8
87.04453	0.3
89.06013	4.2
91.05473	0.8
93.07050	0.6
95.04948	1.3
95.08580	1.7
105.07020	3.1
107.04912	0.5
109.02869	1.7
109.06494	0.7
109.10138	0.4
119.08563	0.7
123.04411	1.7
125.06004	0.6
130.08591	0.3
133.08571	2.1
160.35178	0.3
177.11218	0.9
207.17432	2.1
235.16901	1.4
248.41064	0.3
249.18434	2.1
283.17453	3.0
328.26257	2.1
335.81152	0.3
340.02170	0.3
347.34729	0.4
358.08737	0.3
361.30957	100.0
362.31323	3.6
482.45532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
71.80170	0.7
71.80562	1.0
72.03969	0.7
76.31557	0.8
76.75338	0.7
96.92815	1.0
98.07183	0.7
102.01978	0.8
102.22582	0.8
109.88361	0.7
117.83680	0.8
200.98351	0.9
212.85077	1.5
301.63220	0.7
321.10922	3.3
483.16211	100.0
484.16504	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	483.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01851	1.1
55.05487	0.9
57.03401	2.1
61.02882	0.7
65.03920	3.7
67.05466	1.6
68.99767	0.9
69.03397	1.1
69.07056	10.6
70.06569	0.6
71.00775	1.6
71.04962	0.6
71.31261	0.5
79.05476	5.5
81.03370	0.7
81.07021	1.3
83.14498	0.5
85.02872	1.1
85.06499	1.0
89.03882	1.8
91.05464	2.7
92.02604	2.8
93.02885	0.6
93.03390	4.5
93.26254	0.4
95.04925	1.5
95.08587	0.9
97.06515	37.7
103.01714	0.4
103.05457	0.9
105.03362	0.6
105.04449	0.4
105.06963	0.6
107.04937	5.3
109.02836	1.0
111.00772	1.3
111.04420	12.4
111.08049	0.9
117.03336	1.7
119.04921	0.8
119.08506	0.5
121.02835	4.2
121.06420	0.6
123.04372	1.5
126.03120	0.8
129.09056	1.3
131.04857	0.6
133.02817	1.6
133.10086	0.6
135.04388	14.8
137.02321	4.9
137.05948	0.6
139.02849	0.9
139.03882	15.0
145.02823	2.8
147.04362	1.9
149.02284	0.8
151.03868	1.0
153.01799	22.2
153.05302	0.7
154.02164	0.6
159.04387	4.6
159.08031	0.6
161.02309	12.6
163.03876	33.6
164.04196	0.7
165.01767	3.0
166.02460	0.7
173.02322	27.5
173.05879	1.1
177.05429	0.5
181.04950	2.8
183.02882	0.8
185.05913	2.1
187.03789	0.7
191.03357	1.7
195.01102	0.7
200.04616	0.8
201.05417	2.8
203.03358	1.4
205.04718	0.7
215.06996	42.3
216.07242	0.7
217.04932	3.7
218.05711	1.0
228.04092	3.2
229.04919	8.6
230.05386	0.8
231.02884	0.7
233.07919	0.8
234.98862	0.7
241.08548	8.2
245.04411	4.2
246.05167	3.7
247.05965	1.0
257.04431	8.7
258.04782	0.6
259.09647	11.1
260.03113	1.4
273.03870	3.4
273.11191	7.1
274.04657	8.8
275.05234	1.3
284.03232	0.8
285.03760	2.6
287.05399	0.7
291.12219	49.8
292.12671	1.1
301.03360	4.7
302.04160	31.3
303.04935	79.2
304.05264	4.5
331.07822	0.6
339.05173	1.3
381.06064	1.0
409.09229	2.2
437.08594	1.4
483.09143	100.0
484.09509	10.2
509.67282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3236
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
53.34881	0.8
53.76896	0.7
55.05488	2.9
57.03417	2.6
57.07066	24.2
61.62388	0.7
62.06079	24.7
63.56246	0.6
67.05492	4.8
69.07058	5.5
71.08248	1.1
71.08620	17.3
71.87484	0.7
72.04493	1.0
72.48711	0.7
74.57307	0.8
79.05477	1.0
81.07034	7.2
83.08602	4.3
85.10168	10.8
89.06012	8.8
93.07005	0.8
95.08582	8.8
97.10135	2.7
97.88347	0.9
98.98444	5.7
99.11726	1.1
100.48007	0.7
105.06985	0.8
106.56130	0.9
109.10129	3.3
111.11697	1.6
123.11665	1.6
124.01604	1.1
127.14793	1.1
133.08559	4.3
139.59895	0.7
142.02637	0.8
155.00996	5.0
161.65726	0.8
175.11130	1.6
177.11246	2.3
192.84479	0.8
198.05208	2.1
216.06322	3.2
267.26770	1.4
283.17456	5.7
285.57257	0.8
310.31024	10.5
341.30447	100.0
342.30679	3.2
367.67657	0.9
394.25949	0.8
421.27130	7.9
437.33725	1.2
464.31021	4.5
465.37726	5.4
482.32233	2.5
482.39648	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84114	0.3
51.04847	0.3
53.03939	0.5
57.13393	0.3
70.06560	0.5
71.69703	0.7
79.05477	2.5
91.05460	0.4
91.65214	0.3
95.04946	1.0
103.05434	2.2
105.07012	100.0
106.07355	1.1
122.09647	54.4
123.09988	0.6
132.06647	0.3
135.04393	0.4
139.11101	0.6
146.05992	1.9
147.04335	0.7
163.03883	1.6
176.01166	0.3
181.19571	0.4
188.07047	1.4
199.09677	0.5
205.09648	0.7
299.14053	0.5
313.05450	0.3
317.15344	0.4
366.00916	0.3
379.72830	0.3
389.45425	0.3
482.30453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33199	0.4
55.05484	0.5
56.05012	1.2
57.03439	0.6
57.07068	4.1
58.06594	1.3
59.07372	0.5
60.08154	16.9
60.88185	0.4
67.05479	1.2
69.07063	0.8
70.06561	0.4
71.07375	5.8
71.08627	2.1
71.79533	0.7
81.07047	0.9
83.08604	0.5
85.10143	1.5
86.09693	46.7
87.10020	0.4
89.05988	0.6
91.05457	0.4
95.08589	1.6
98.98450	2.6
104.10728	100.0
105.07026	0.5
105.11067	0.5
109.10123	0.7
124.99986	23.8
131.04900	1.4
163.01549	0.8
179.05083	0.4
184.07320	97.0
245.13744	0.6
258.11081	1.1
299.25778	2.2
405.24142	0.5
464.25006	0.8
464.31320	9.7
472.82910	0.5
482.32379	42.4
483.32587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01859	1.9
57.03412	4.7
58.21131	1.1
61.02909	5.8
67.05489	5.0
68.86401	1.3
69.03422	14.8
70.06573	1.5
70.96768	3.0
73.02884	3.3
77.95120	1.2
79.05467	2.3
81.03399	10.0
81.07025	4.1
84.04469	1.2
85.02886	99.6
91.03914	2.4
95.04949	4.3
97.02872	37.3
98.09702	1.4
99.04433	3.6
103.03929	4.5
108.08093	7.1
109.02862	11.1
110.05988	1.7
117.07683	1.2
122.06004	4.7
125.05968	4.4
126.05490	3.6
126.09126	2.8
127.03895	23.7
136.07547	13.5
140.07039	69.7
145.04927	35.9
150.09119	4.4
152.07043	11.6
154.08585	6.6
163.03914	7.8
163.05966	18.5
164.07045	17.1
178.08603	17.3
180.08611	1.3
182.08093	100.0
184.05708	1.5
206.08086	51.4
218.08128	5.1
236.09032	6.1
248.09117	12.7
266.10156	5.6
284.11328	10.8
301.11682	2.1
302.12302	31.4
481.11349	1.6
481.17960	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.03938	5.9
55.01857	1.0
55.05503	3.6
56.05017	1.0
57.07077	3.1
58.30184	0.7
59.21941	0.6
67.05500	5.6
67.91857	0.6
68.99787	1.8
69.07053	3.7
70.06585	0.6
71.08619	2.5
71.78897	1.0
77.03916	1.4
79.05470	3.1
81.03397	1.1
81.07043	6.1
83.05001	0.7
83.08598	2.0
84.26292	0.6
85.10172	1.1
87.72769	0.6
91.05466	2.6
93.06994	1.6
95.04951	11.4
95.08594	5.4
97.06528	0.8
97.10171	0.9
99.47172	0.7
101.74509	0.6
103.05428	1.2
104.04981	2.3
105.03371	90.3
105.07016	1.7
107.04932	48.1
107.08567	1.2
109.10115	1.3
111.00782	0.9
115.05431	0.7
117.07008	2.3
119.04974	0.8
121.06399	0.8
121.07616	1.6
122.06042	1.8
123.04368	1.2
127.79037	0.6
131.04950	1.0
133.06441	3.1
135.11665	1.1
136.07536	2.5
139.03848	1.1
145.06458	7.8
145.07587	27.4
145.10115	0.8
147.04364	1.6
148.07564	1.2
150.09123	6.6
151.31822	0.6
153.01799	24.4
157.06477	1.1
165.01846	1.3
165.06819	0.7
173.05971	1.9
175.03922	1.7
183.04330	0.8
185.05869	0.9
187.03839	2.9
189.05403	1.8
197.05940	1.7
203.03316	4.0
211.07533	0.7
213.05383	1.4
215.03354	1.1
215.06877	0.7
225.05481	1.0
237.05418	2.0
239.10674	4.8
240.10101	1.1
241.04854	0.9
242.05743	1.0
252.04054	0.9
253.04875	3.0
254.11653	2.5
256.13196	3.4
257.04370	0.7
265.04916	4.2
269.04346	1.9
271.05875	1.0
281.04437	4.8
282.05020	1.1
285.03912	1.1
291.06702	0.8
291.10135	0.8
293.04434	1.2
295.06039	1.4
297.04007	5.4
298.04648	10.4
299.05505	7.7
309.03717	2.5
309.06912	0.7
311.05426	14.9
313.03342	3.6
315.04770	2.1
323.05524	3.3
327.04926	26.2
327.15622	1.8
328.04898	0.9
336.05814	0.8
339.04831	1.9
341.06369	1.2
343.04324	1.8
353.06482	0.8
358.56250	0.7
359.17474	100.0
360.15771	16.5
435.17633	2.0
453.18906	6.3
462.43207	0.7
463.18890	7.2
481.18289	66.5
482.18845	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49749	0.8
53.03944	2.1
55.01858	2.8
57.03416	4.0
59.43706	1.0
61.02918	6.2
67.03349	1.0
67.05479	3.4
67.85360	1.0
69.03416	11.8
69.07039	1.0
70.06562	1.6
70.23367	5.5
71.04965	2.5
73.02889	2.0
77.27891	1.0
79.05471	1.7
81.03403	7.5
81.07024	3.0
83.04933	1.1
84.08109	1.1
85.02889	100.0
91.03951	1.5
95.04941	2.8
97.02878	33.4
98.21381	1.1
99.04438	2.6
103.03921	3.5
107.04951	1.0
108.08092	6.4
109.02854	13.4
110.05964	1.1
112.07583	1.8
122.06029	4.9
125.05968	4.0
126.05460	4.1
126.09122	3.6
127.03898	26.9
127.04838	1.7
135.04367	1.3
136.07555	10.6
137.02321	1.1
137.05960	1.1
140.07039	71.5
144.08054	1.3
145.04933	40.1
150.09108	3.3
151.03862	1.0
152.07042	11.3
154.08578	5.3
163.03882	6.9
163.05980	15.3
164.07054	17.9
178.08621	16.4
182.08096	100.0
183.08459	2.0
206.08089	53.6
218.08104	5.6
236.09116	4.3
248.09123	12.8
266.10303	4.3
284.11215	10.7
290.03012	1.0
301.11801	2.6
302.12271	29.2
319.12738	2.4
481.11319	1.5
481.17731	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1851
Annotation	Picrasidine-H
Peak:m/z	Relative Intensity
53.03927	0.3
55.01842	0.4
55.05497	2.0
57.07055	1.7
65.03922	0.2
67.01836	0.7
67.05490	4.0
68.99778	2.0
69.03398	0.3
69.07057	2.4
70.32168	0.4
70.32554	0.4
71.08604	0.6
79.05472	0.9
81.03403	0.3
81.06598	0.3
81.07038	4.4
83.08595	0.2
85.10168	0.3
91.05453	0.9
92.42741	0.2
93.07013	0.6
95.04946	0.3
95.08582	2.6
103.05422	0.2
104.75791	0.2
105.03339	0.2
105.07022	0.2
107.04906	0.2
107.08559	0.2
109.02842	0.3
109.10148	0.3
111.00784	2.0
115.05428	0.4
117.06996	0.3
121.02830	0.3
121.10097	0.2
123.04427	0.4
123.11641	0.3
127.05424	0.2
128.06198	0.2
129.06956	0.3
131.04893	0.3
133.06465	0.2
133.10181	0.2
137.02335	1.2
139.03857	1.0
141.06931	0.4
143.04884	0.2
143.08478	0.2
144.05679	0.2
145.02814	0.2
145.06456	0.4
147.04362	2.0
153.01794	23.1
153.06905	0.6
154.02174	0.2
155.04895	0.6
157.06450	1.5
159.04379	0.4
161.02361	0.5
161.05939	0.6
163.03908	0.2
165.01805	3.5
165.05708	0.2
165.06952	0.7
167.08571	0.2
169.02837	0.7
169.06491	0.6
171.02861	0.7
171.04395	2.1
171.08000	0.2
172.05159	0.4
173.02463	0.2
173.05911	0.8
175.03870	0.7
179.03316	0.5
179.04799	0.2
179.08606	0.2
181.01241	0.3
181.06467	0.7
183.02844	0.8
183.04395	1.2
183.08026	0.6
184.05185	0.6
185.02419	0.3
185.05931	2.4
186.06697	0.2
187.03871	2.3
189.05453	0.5
193.06389	0.3
195.08012	0.4
197.05923	1.7
198.03221	0.2
199.03885	3.2
199.07545	0.8
199.09216	0.2
200.04646	0.4
201.05492	1.1
202.02637	0.2
203.03415	0.6
205.06535	0.2
207.08107	0.3
209.05927	0.8
210.06764	0.4
211.03886	1.6
211.07445	1.2
213.01880	0.9
213.05385	1.8
213.09029	0.2
215.03375	0.5
215.06985	0.2
217.04858	0.8
221.05983	0.5
222.06645	0.2
223.07565	0.5
224.04660	0.4
224.08316	0.4
225.05405	2.4
225.09016	0.3
227.03351	4.1
227.06743	0.9
229.04965	0.9
230.05095	0.2
231.02832	0.3
235.07527	0.6
237.05406	1.5
237.09044	0.2
238.06256	0.6
239.03348	2.4
239.06961	0.9
240.04137	0.2
240.07828	0.3
241.04985	1.0
243.06525	0.2
249.05429	0.5
249.40915	0.2
250.06256	0.2
251.03389	0.2
251.07089	0.6
252.04128	0.4
253.04878	3.0
253.08820	0.3
255.03009	0.2
255.06496	0.9
257.04349	0.5
263.06961	0.5
265.04984	1.1
265.08038	0.2
266.05579	0.7
267.06479	1.1
269.04422	0.9
269.07755	0.2
271.05942	0.8
273.03830	0.2
275.06985	0.2
277.04913	0.8
277.08368	0.3
278.05716	0.3
279.06546	0.5
279.13879	0.2
281.04410	1.5
281.08142	0.3
281.15350	0.7
282.05142	0.3
283.05957	1.7
285.03778	0.3
291.06525	0.6
291.13785	0.3
293.04416	1.2
293.07288	0.2
293.15109	0.3
294.05048	0.8
295.05957	2.5
297.03870	1.6
298.04602	0.9
299.05453	1.1
299.10214	0.4
303.06528	0.3
305.04492	0.5
305.07916	0.2
306.05118	2.0
307.06082	0.8
308.03226	0.3
308.06830	0.3
309.03909	0.9
309.07559	1.6
309.14819	0.4
311.05399	5.3
311.16403	0.6
313.03476	0.6
315.05173	0.3
319.05975	1.3
321.03909	1.5
321.07324	0.3
322.04639	1.6
323.05463	3.8
323.16211	0.3
325.03461	0.3
325.07126	0.6
326.04196	0.4
327.04950	4.1
327.15793	0.3
329.17297	0.2
333.07541	0.3
335.05573	0.8
337.03360	1.9
337.07150	1.3
337.14154	1.1
338.04034	0.3
339.04904	6.1
340.05685	0.4
341.06641	0.6
347.05466	0.8
349.07205	0.2
350.04208	1.3
351.04883	2.9
351.08722	0.3
351.16019	0.3
353.06454	1.5
355.15942	0.2
361.07089	0.4
364.05829	0.3
365.06406	1.7
366.07248	0.3
367.08078	0.2
377.06595	0.2
379.08066	0.7
379.15448	0.4
380.47861	0.2
381.09799	0.4
393.09506	0.3
397.16568	0.3
399.16077	0.2
407.18497	0.5
417.16415	0.2
419.18536	0.7
435.18021	0.8
445.16702	0.2
453.19016	0.6
463.17416	100.0
464.17795	3.7
481.18539	7.9
482.18793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1853
Annotation	Picrasidine-H
Peak:m/z	Relative Intensity
50.21233	0.1
53.62028	0.1
55.01842	0.2
55.05507	1.0
57.07074	1.0
67.01831	0.5
67.05492	2.5
68.99451	0.2
68.99780	2.0
69.03385	0.2
69.07053	0.9
69.96265	0.3
69.96687	0.6
71.08598	0.3
79.05454	0.5
79.67331	0.1
81.03353	0.2
81.07047	1.9
83.08591	0.2
91.05437	0.3
93.07001	0.4
95.08582	0.6
95.98987	0.1
98.21328	0.2
105.03342	0.2
105.06984	0.4
107.04887	0.1
107.08545	0.3
109.02858	0.2
109.10104	0.4
111.00781	1.3
113.56799	0.1
115.05416	0.1
117.06993	0.2
119.08521	0.2
121.02828	0.2
121.10133	0.2
123.04403	0.2
124.99980	0.1
129.87915	0.1
131.04866	0.2
133.48990	0.1
137.02280	0.4
139.03850	0.2
140.07018	0.2
145.06479	0.2
147.04361	0.6
149.02310	0.1
149.05843	0.1
153.01797	7.7
154.02135	0.2
157.06433	0.2
159.04376	0.2
161.05957	0.7
161.13228	0.2
162.05458	0.4
165.01814	1.9
165.06972	0.3
166.08698	0.1
169.02742	0.1
169.06490	0.2
169.09743	0.1
171.04330	0.8
171.07974	0.2
173.05954	0.4
174.03093	0.1
175.03874	0.3
175.07423	0.2
179.03394	0.2
181.06459	0.4
183.02948	0.2
183.04393	0.3
183.08011	0.2
184.05078	0.3
185.05917	0.8
187.03935	1.0
187.07550	0.1
189.05406	0.5
191.03447	0.2
195.08063	0.3
197.05945	1.1
198.03052	0.3
199.03879	2.6
199.07495	0.4
200.04594	0.3
201.05415	0.7
201.09090	0.1
203.03369	0.4
209.05939	0.3
209.09337	0.1
210.03070	0.2
211.03818	0.5
211.07469	0.4
212.04729	0.3
213.01965	0.2
213.05396	1.5
213.09061	0.3
215.03349	0.4
215.06940	0.3
216.04131	0.4
217.04924	0.5
219.07910	0.1
221.05901	0.4
221.09686	0.2
223.07553	0.2
224.04633	0.2
225.05443	1.0
225.08994	0.2
226.06030	0.1
227.03410	1.5
227.06931	0.8
228.03896	0.1
229.04901	0.3
231.02856	0.2
233.04333	0.1
237.05432	0.9
237.09064	0.1
238.05931	0.2
239.03357	1.3
239.06891	0.8
240.04131	0.3
240.07587	0.2
241.04897	1.5
241.08496	0.1
242.05678	0.3
243.02905	0.3
243.06450	0.3
244.03624	0.2
245.04312	0.3
249.05460	0.4
250.06169	0.7
251.03285	0.2
251.06963	0.5
252.04135	0.4
253.04941	2.5
253.09514	0.3
254.05510	0.3
255.06464	0.4
257.04352	0.4
261.05460	0.2
263.06906	0.2
265.04959	0.8
266.05661	1.4
267.02841	0.4
267.06470	2.2
268.07068	0.1
269.04422	1.1
269.07590	0.2
270.05112	0.3
271.02341	0.4
271.05948	0.5
273.03903	0.4
275.06940	0.3
277.04935	4.9
278.05646	1.3
279.06509	1.4
279.09372	0.2
280.03534	0.1
281.04422	1.4
281.08713	0.5
281.15457	0.2
282.05051	0.4
283.05984	0.6
284.03156	0.7
285.03900	0.3
289.04919	0.2
290.05746	0.3
291.06479	0.3
293.04388	3.9
294.05142	1.4
295.05972	4.0
296.06573	0.2
297.03885	1.8
297.07452	0.4
298.04703	0.6
299.05402	0.6
299.10150	1.0
303.06430	0.4
305.04398	1.2
306.05182	20.6
307.05841	2.9
308.03192	0.3
308.06616	0.3
309.03992	1.6
309.07440	0.2
309.14920	0.3
310.04504	0.4
311.05429	1.8
311.16391	0.4
313.03351	0.4
313.06799	0.2
313.17929	0.1
315.04852	0.3
318.05457	0.2
319.06104	0.8
320.06619	0.2
321.03983	1.1
321.07449	0.2
322.04691	4.2
323.05447	6.2
323.16483	0.5
324.06046	0.4
325.03345	2.1
325.07111	0.9
326.03943	0.3
327.04861	0.9
329.17496	1.0
333.03915	0.3
334.04840	0.7
335.05560	1.0
337.03348	2.3
337.07111	0.5
337.14178	0.6
339.04941	1.6
340.05789	0.2
341.06464	0.5
341.17197	0.1
342.20590	0.3
347.05453	0.7
349.03305	0.3
350.04129	2.7
351.04938	10.7
351.08173	0.5
351.15775	1.0
352.05341	0.5
353.06500	5.7
353.10965	0.2
353.17438	0.3
354.06909	0.3
357.16791	0.7
361.06982	0.5
363.04913	0.3
365.06473	0.3
365.17410	0.3
367.08011	0.6
375.08401	0.2
379.07990	0.9
379.15381	0.3
379.19385	0.2
381.09454	0.2
393.09509	0.4
397.16360	1.7
397.20667	0.1
407.11295	0.2
407.18356	0.4
417.17026	0.2
419.18481	8.8
420.18817	0.5
435.17999	4.3
445.16165	0.3
453.19022	1.8
463.17441	100.0
464.17847	4.2
481.17963	3.5
481.28821	0.8
482.18912	0.2
495.20251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1846
Annotation	7-Oxostaurosporine
Peak:m/z	Relative Intensity
53.03909	0.4
55.01852	1.4
55.05503	4.4
57.06822	0.4
57.07063	3.9
65.03952	0.5
66.35578	0.3
67.01865	1.9
67.05495	4.1
68.06779	0.3
68.99773	4.5
69.03400	1.5
69.06740	0.4
69.07064	5.7
71.08627	2.5
71.10586	0.8
71.10927	0.4
71.52931	0.4
79.05488	1.9
81.03378	0.6
81.07050	6.3
83.08595	1.7
85.02884	0.9
85.10162	0.7
91.05446	1.0
93.06999	1.5
93.95555	0.3
95.04938	0.5
95.08588	3.6
97.02862	1.1
99.04451	0.7
103.03924	0.7
103.05504	0.3
105.03370	0.9
105.06995	0.8
105.10705	0.4
107.08571	0.8
109.02842	0.7
111.00771	2.8
115.05424	1.2
117.06967	0.4
121.02859	0.4
121.06583	0.4
123.04395	1.1
123.11720	0.5
127.03895	1.5
128.06247	0.6
129.06961	0.7
129.49808	0.4
131.04912	1.1
133.06529	0.4
133.10139	0.3
137.02309	1.2
139.03905	2.3
139.05354	0.7
141.03314	0.4
141.06935	0.7
143.04855	1.9
145.04980	0.5
145.06439	0.7
147.04379	2.8
149.02437	0.4
149.05991	0.9
152.06158	0.4
153.01802	100.0
154.02133	1.0
155.04886	1.5
157.06477	0.7
159.04417	0.8
161.02292	0.6
161.05952	5.1
163.03860	0.9
163.05975	0.8
165.01842	3.0
165.06944	0.7
166.02570	0.3
167.04926	0.8
167.08568	0.6
171.02869	1.2
171.04420	1.3
173.05946	4.2
175.03874	2.1
175.07550	0.6
176.04646	0.5
177.05429	1.8
179.03404	0.9
179.08459	0.6
181.01289	0.9
181.06465	1.4
183.04417	1.2
183.07961	0.6
185.05969	1.5
187.03831	5.3
187.05089	0.5
187.07384	0.5
189.01831	0.6
189.05443	15.2
189.07150	0.8
190.05908	0.5
191.03455	0.7
193.06471	0.5
195.08051	0.8
197.02415	0.4
197.05954	3.3
199.03882	0.9
199.07544	2.1
200.04733	1.0
201.05452	3.1
203.03384	4.4
203.07111	0.5
205.05006	0.4
207.02863	0.9
207.08128	0.5
210.06697	0.5
211.03928	1.5
211.07513	1.3
212.04819	0.4
212.08063	0.4
213.05411	3.2
213.09021	0.5
215.03394	4.1
215.07019	1.2
217.04889	1.4
219.02794	0.5
221.06018	0.8
223.02361	0.6
225.05443	2.7
225.09073	0.9
226.06194	0.6
227.03491	0.4
227.06970	1.9
229.04906	3.0
229.08604	0.8
231.02879	1.2
231.06361	0.4
233.04361	0.5
235.07349	0.5
237.05424	2.4
239.03400	1.9
239.07033	1.7
241.04869	2.0
242.05621	0.9
243.02873	1.9
243.06551	1.6
249.05504	0.6
251.06969	0.7
252.04214	1.2
253.04919	6.8
254.05559	0.5
255.06520	1.4
257.04407	3.4
259.05841	0.7
263.07010	0.8
265.04883	3.0
266.05594	1.1
267.06415	1.8
269.04391	1.5
270.05225	0.6
271.06070	1.4
273.03903	0.6
277.04877	0.9
279.06552	0.9
281.04373	5.3
281.07809	0.6
281.15244	0.7
282.05173	0.5
283.06088	1.4
285.03992	1.7
287.05164	0.4
287.16348	2.8
288.17136	2.1
291.06454	1.0
293.04361	2.0
295.06039	3.1
297.03900	7.3
298.04645	9.0
299.05396	7.1
299.16461	1.0
301.17978	0.9
305.04425	1.1
306.05103	0.7
307.06018	0.7
309.04074	1.8
309.07257	0.5
309.14728	0.8
310.04413	1.0
311.05438	25.6
311.16321	2.2
312.05887	1.1
313.03427	7.3
313.07062	1.0
314.03992	0.4
315.04822	2.0
319.05899	1.9
321.03839	0.7
321.07385	0.5
322.04633	0.9
323.05444	9.7
324.06274	0.7
325.06985	1.4
326.04001	0.8
327.04953	27.1
327.15811	6.4
328.05411	0.7
329.17462	1.7
335.05600	0.5
336.06058	0.4
337.03506	0.8
337.07065	2.5
337.14175	3.0
339.04971	7.2
340.05466	0.9
341.02890	0.7
341.06534	4.9
343.04276	0.6
347.05334	2.1
349.07047	0.7
350.04041	0.8
351.05017	1.6
353.06592	1.5
355.04495	0.5
355.15363	4.8
361.06964	1.0
363.04950	1.0
364.05811	0.6
365.06458	4.8
365.10541	0.5
379.08014	0.7
397.16336	0.6
423.17841	0.5
425.19458	0.9
435.18048	5.1
445.16397	1.0
453.18958	8.3
463.17487	17.4
464.17969	0.5
481.18539	79.8
482.18860	3.9
493.30206	0.4
505.47742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.4
56.05013	6.1
57.07064	18.3
67.05489	6.9
68.05017	2.7
69.07056	6.3
69.73821	10.9
71.08616	26.7
79.05475	2.2
80.05009	2.9
81.07043	15.6
82.06567	28.5
84.04474	4.2
84.08132	2.9
85.10159	12.1
86.62957	1.5
86.77791	1.5
87.04452	4.9
93.07047	2.4
95.08595	21.1
100.07590	2.9
105.07045	3.1
110.06025	47.5
122.06059	1.7
123.06801	3.4
128.07069	16.9
130.04956	3.8
137.13216	1.7
138.05473	3.7
155.14284	7.5
156.06531	28.4
172.09676	5.1
208.17009	1.6
220.20503	2.7
236.20035	46.3
237.33113	1.9
238.21585	10.8
280.22568	1.5
282.20599	57.8
308.22220	10.7
310.20062	100.0
326.23236	17.4
361.31018	13.4
480.36807	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	480.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03931	1.9
55.01851	0.3
55.05504	1.1
57.03408	0.3
57.07056	0.6
65.03918	0.3
67.05475	0.7
68.50249	0.2
69.07067	1.4
70.51499	0.9
71.08632	0.2
73.02889	0.2
77.03921	0.7
79.05444	0.3
80.18459	0.2
81.03421	0.3
81.07037	1.0
83.08591	0.7
86.09697	0.3
91.05464	11.6
93.07027	16.8
95.04373	0.4
95.04951	4.5
95.08588	1.0
97.10168	0.6
103.05449	13.0
105.04486	0.7
106.06554	0.5
107.04913	0.4
107.08561	0.3
109.10098	0.4
121.06484	100.0
122.06832	1.6
135.06760	0.9
135.11673	0.4
148.07568	0.8
162.09076	0.2
177.74571	0.2
206.19084	0.5
248.20090	5.7
260.20145	1.0
265.08481	0.6
283.09433	0.3
285.10028	0.3
339.28864	6.3
340.29257	0.4
360.32541	55.5
361.32864	2.1
474.59952	0.2
480.38303	75.4
481.38657	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	480.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.1
55.05493	3.3
56.05019	3.4
57.03411	0.9
57.07064	13.3
67.05495	7.4
68.05016	0.9
69.07053	5.2
70.02927	1.5
70.06593	0.9
70.75819	0.8
70.98116	1.0
70.98462	1.9
71.08617	22.4
79.05457	1.8
80.05006	1.6
81.07043	14.3
82.06567	27.2
83.04958	0.9
83.08606	1.6
84.04501	3.3
84.08128	3.3
85.10158	11.4
86.09670	0.8
87.04445	6.9
93.07030	1.9
94.34927	1.0
95.08585	16.1
96.04505	0.8
100.07580	2.7
102.05508	0.9
106.06479	0.8
108.08125	1.0
108.33460	0.7
110.06024	40.6
112.07578	1.7
114.81666	0.7
121.10113	0.9
122.06003	2.0
123.06817	2.3
124.07586	2.1
126.09090	0.9
128.07057	13.9
130.04970	3.0
137.13271	1.5
138.05446	2.2
155.14288	6.5
156.06526	26.1
157.09753	1.0
172.09663	3.3
194.19038	1.3
198.18567	1.1
199.16924	1.0
208.16974	2.5
220.20535	1.4
236.20052	44.2
238.21623	5.6
246.18506	0.9
264.19495	1.1
282.18112	0.6
282.20584	47.0
308.22137	7.6
310.20071	100.0
311.20547	1.2
326.23184	14.1
361.30927	1.1
440.03732	0.9
480.36731	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.31
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09075	0.3
53.03925	0.8
55.05500	0.4
57.07062	2.0
66.21411	0.3
67.05479	1.1
68.05003	2.0
69.07061	0.7
70.07361	1.7
71.08612	1.1
79.05474	1.3
81.07036	1.2
85.10163	1.1
91.05475	1.8
93.07018	2.0
95.04962	1.5
95.08607	2.0
103.05460	2.3
105.04483	0.4
105.07003	4.6
105.07620	0.5
107.04935	37.4
107.08559	0.3
108.05299	0.3
109.10149	0.7
115.05440	7.1
117.07015	1.0
121.02845	0.7
121.06477	9.3
130.06465	0.3
131.04904	1.4
133.06476	1.3
137.05956	4.2
143.04897	7.2
144.05763	0.3
145.06448	5.7
145.07530	0.4
147.04451	0.6
150.06670	0.5
151.07515	0.7
160.05222	0.6
161.04738	0.4
161.06004	0.9
162.05519	0.7
162.06767	1.1
163.06274	1.8
163.07558	1.0
165.06870	0.3
166.07782	0.4
172.07521	0.4
175.07516	4.3
176.07045	3.4
176.08374	0.4
177.07813	4.5
177.09181	0.5
178.08601	11.8
179.08948	0.3
181.06458	0.5
181.10117	0.6
186.09114	0.6
188.07085	0.8
189.07855	1.2
190.08611	0.9
191.08595	0.4
191.09608	0.5
194.07269	1.4
195.08078	0.6
204.10156	13.3
205.10925	1.5
206.11731	0.6
207.08205	0.4
209.09592	3.2
210.09181	0.7
211.07564	0.3
213.07939	0.6
214.08580	2.0
216.10240	0.3
217.07265	0.7
218.08070	0.8
219.08022	0.8
222.18591	0.8
223.07408	0.3
228.10172	4.7
229.10970	3.1
230.11766	1.0
231.08948	0.4
232.09639	13.5
233.10185	0.5
235.07367	0.3
237.09079	3.7
239.07004	0.7
240.07776	0.4
242.11652	0.4
246.11198	8.2
247.11964	3.1
251.10730	0.4
254.09369	0.5
260.12744	4.0
269.11661	5.3
274.14468	0.4
288.15973	0.4
296.12738	7.7
302.17587	0.9
312.15894	2.2
315.50183	0.3
316.19150	0.3
332.80490	0.3
356.25909	0.4
360.32526	4.3
372.25464	1.2
373.26038	2.2
480.31085	100.0
480.38089	9.6
481.31375	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	480.3079
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03889	0.8
55.05502	11.9
55.05751	0.9
57.03426	6.8
57.07066	5.4
64.67142	0.4
66.18657	0.4
67.05495	9.0
69.07055	20.1
69.52071	3.8
71.08619	3.1
79.05483	3.8
80.62651	0.4
81.07038	11.3
83.04924	0.4
83.08607	12.6
85.06512	0.5
85.10183	2.1
91.05470	5.0
93.07029	12.9
95.04948	2.2
95.05412	0.4
95.08588	11.1
97.06470	1.5
97.09570	0.5
97.10143	6.5
101.10753	0.4
103.05442	5.2
107.05753	0.4
107.08557	3.7
109.10143	4.2
111.08022	1.2
111.11682	2.2
112.22026	0.4
116.68985	0.4
121.06483	40.1
121.10117	4.9
123.11711	0.6
125.09628	0.6
126.40205	0.4
134.24185	0.4
135.11671	3.8
137.13162	0.6
139.11095	0.8
149.13170	1.6
151.14748	0.5
153.12720	0.8
154.52084	0.4
155.39598	0.5
176.57545	0.4
177.16202	0.5
216.06325	0.8
220.23244	0.5
247.24168	0.9
248.20047	2.0
265.08414	1.3
265.25174	0.8
308.29550	2.4
324.11667	0.5
339.28888	100.0
340.29214	4.1
360.32532	21.7
480.27362	0.9
480.38333	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	480.3079
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03920	0.8
55.05268	0.6
55.05506	10.5
57.03427	3.4
57.07071	5.3
61.50605	0.6
62.06077	26.7
67.05489	8.5
69.07055	15.2
69.40514	0.7
70.10128	2.8
71.08605	2.4
79.05491	2.9
79.92850	0.6
81.06598	0.7
81.07046	9.7
81.64942	0.6
83.04942	0.6
83.08154	1.0
83.08609	9.9
85.06544	0.7
85.10149	1.3
91.05457	3.4
93.07034	8.5
94.72820	0.6
95.04952	1.0
95.08595	10.7
97.06502	1.4
97.10163	6.1
98.06019	1.7
98.21441	0.9
98.98445	6.0
103.05441	1.8
105.03373	0.9
105.06999	1.3
107.08565	3.9
109.10140	5.3
111.08055	1.5
111.11694	2.6
112.04489	0.6
112.32785	0.6
121.06485	19.0
121.10137	5.8
123.11668	1.6
124.01597	1.8
135.11696	3.6
142.02596	1.5
149.13229	1.7
155.01027	7.3
155.39554	0.6
163.14806	0.6
170.86327	0.6
173.02098	1.0
198.05275	0.7
216.06297	3.1
236.34908	0.6
247.24236	1.2
265.25183	4.1
308.29440	13.5
318.24210	6.3
318.97202	0.6
339.28888	100.0
340.29208	4.1
360.32605	10.5
419.25565	4.4
462.29694	5.3
480.30804	3.9
480.38269	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.05499	0.7
57.07072	2.8
67.05495	2.8
69.03413	0.8
69.07056	1.7
71.04367	0.5
71.08616	0.4
73.02905	0.3
79.05472	0.9
81.03400	0.5
81.07041	29.3
82.07372	0.4
85.02886	2.6
87.00805	1.4
91.05440	0.2
93.07049	0.2
95.08591	35.0
96.08926	0.5
97.02891	1.2
104.22851	0.2
105.01847	2.9
109.02847	0.7
109.10139	2.0
127.03893	2.2
137.13229	100.0
138.13562	2.3
145.04936	1.2
197.15338	25.4
198.15680	0.9
231.04930	0.9
249.06026	1.3
250.49529	0.2
284.09790	0.6
315.25528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01863	0.3
69.03387	0.3
71.80445	0.2
71.80794	0.2
83.44314	0.2
85.02887	1.1
88.03975	0.2
88.19159	0.2
91.05467	2.4
93.07039	4.5
95.04944	1.3
97.02871	0.6
100.21732	0.2
103.05457	2.9
104.70659	0.2
105.04507	0.3
117.03334	0.2
119.01910	0.3
121.06487	100.0
122.06835	1.0
123.04438	0.4
127.03893	0.6
131.01862	0.2
135.04407	0.7
136.06166	0.3
136.07570	0.4
137.05963	0.8
138.09120	34.9
139.09459	0.3
140.69513	0.2
145.02884	0.3
145.04958	0.4
147.04288	0.3
149.66075	0.2
151.00285	0.2
152.07062	1.2
154.08586	0.3
161.02936	0.3
163.03902	2.8
164.04199	0.3
165.95430	0.2
173.02979	0.2
182.08115	0.3
198.98535	1.4
201.00636	0.2
203.04007	0.3
204.03990	0.2
216.99542	0.5
219.01701	0.2
221.04970	0.4
236.97806	0.2
240.99612	0.2
245.05075	0.6
263.08740	0.2
268.09601	0.4
273.07974	0.3
275.06024	0.3
301.01584	0.6
319.02667	0.2
481.14102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14598	1.6
55.05484	2.0
57.03429	16.3
57.07059	2.5
59.04981	5.7
67.05485	5.1
69.03416	73.1
69.07055	44.1
70.23240	1.4
70.23532	8.0
71.04972	2.6
75.04449	2.2
76.74683	1.3
77.04036	1.4
79.05470	3.8
81.03403	5.5
81.07048	16.5
82.07369	2.4
83.04968	2.3
85.02895	53.6
87.04452	50.1
91.05478	3.6
93.07022	5.1
94.07320	1.6
95.04972	3.6
95.06086	4.4
95.08582	6.9
97.02877	80.7
99.04441	2.7
103.03933	1.6
103.69765	1.6
105.07031	2.8
107.08587	4.1
109.02853	2.6
109.06439	2.0
109.10159	7.5
115.03913	100.0
121.10146	2.7
123.11684	53.0
127.03902	9.4
133.04947	96.2
133.10083	3.3
135.04346	1.6
135.11638	4.6
136.12027	2.9
137.02307	2.5
137.13235	4.2
138.10188	1.9
144.06493	2.3
145.04929	7.8
150.07651	2.2
151.11160	47.7
163.03856	4.3
169.04955	2.0
169.12231	7.7
187.11188	2.2
195.13748	2.5
197.14465	1.9
199.87688	1.7
201.12659	2.9
219.13745	3.8
237.14777	1.8
241.07121	2.3
247.13326	6.5
259.08047	3.3
265.14139	3.9
277.08878	2.9
283.15396	11.1
295.10220	3.1
297.04059	1.9
313.16425	3.9
345.07703	2.2
347.09482	9.5
398.03397	1.7
481.20544	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	480.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01867	11.3
57.03415	4.4
57.07066	8.9
59.04972	1.9
62.54176	1.3
62.82602	1.2
64.81733	1.4
67.05492	7.7
69.03413	8.5
69.07049	9.0
70.02926	4.9
70.06571	1.4
70.70291	1.7
71.01314	4.7
71.04967	5.6
71.79340	2.4
72.04106	1.9
72.04500	25.2
73.02912	13.3
81.03391	16.5
83.04955	9.3
84.04484	1.9
84.08109	1.7
85.02885	19.5
85.06523	8.2
86.09682	5.3
87.04427	2.9
87.08068	4.4
90.05537	41.5
95.04953	10.3
96.08108	2.1
97.02872	15.2
98.02401	16.2
98.21001	1.6
99.04435	18.2
100.03973	6.9
103.03912	4.1
103.07555	3.8
105.06994	1.6
107.04958	1.9
109.02145	3.0
109.02851	34.5
111.04391	3.4
112.07646	1.5
113.05967	6.8
116.03438	24.6
117.05476	4.2
121.02818	2.8
121.06505	1.9
124.06744	2.3
124.07570	27.2
125.05993	1.3
127.03886	19.4
132.06531	14.8
135.04440	1.4
137.02252	2.2
138.05438	5.0
139.03882	2.5
142.08604	23.2
145.04935	15.1
145.05997	2.2
147.04494	1.7
148.09663	1.5
154.08681	1.6
156.10159	3.3
157.04918	5.4
160.09705	9.5
162.05496	3.2
162.07417	1.9
163.03899	4.7
166.08612	5.1
172.09688	3.7
174.11246	8.4
178.01689	1.4
181.04907	2.2
182.08139	3.7
184.09660	34.7
187.05980	1.8
187.07503	2.0
192.08617	2.5
198.07553	4.4
199.05922	5.6
202.10701	100.0
203.11180	2.3
207.06497	2.5
211.09608	6.4
216.08563	5.0
217.07063	3.3
220.11754	22.8
225.07480	4.9
230.10187	9.7
234.09665	8.8
244.11755	3.6
262.12787	19.2
282.13254	2.0
297.09567	3.0
304.13919	2.5
310.12881	8.8
315.10629	12.9
320.03485	1.5
322.14767	4.9
328.13840	78.1
329.13885	1.6
332.13397	1.9
346.14908	24.9
350.14487	10.8
350.18243	2.3
364.15952	71.2
365.16422	3.2
378.96594	1.5
389.20593	1.4
426.17178	2.0
444.18454	7.4
462.19662	9.9
480.21133	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	480.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01867	11.3
57.03415	4.4
57.07066	8.9
59.04972	1.9
62.54176	1.3
62.82602	1.2
64.81733	1.4
67.05492	7.7
69.03413	8.5
69.07049	9.0
70.02926	4.9
70.06571	1.4
70.70291	1.7
71.01314	4.7
71.04967	5.6
71.79340	2.4
72.04106	1.9
72.04500	25.2
73.02912	13.3
81.03391	16.5
83.04955	9.3
84.04484	1.9
84.08109	1.7
85.02885	19.5
85.06523	8.2
86.09682	5.3
87.04427	2.9
87.08068	4.4
90.05537	41.5
95.04953	10.3
96.08108	2.1
97.02872	15.2
98.02401	16.2
98.21001	1.6
99.04435	18.2
100.03973	6.9
103.03912	4.1
103.07555	3.8
105.06994	1.6
107.04958	1.9
109.02145	3.0
109.02851	34.5
111.04391	3.4
112.07646	1.5
113.05967	6.8
116.03438	24.6
117.05476	4.2
121.02818	2.8
121.06505	1.9
124.06744	2.3
124.07570	27.2
125.05993	1.3
127.03886	19.4
132.06531	14.8
135.04440	1.4
137.02252	2.2
138.05438	5.0
139.03882	2.5
142.08604	23.2
145.04935	15.1
145.05997	2.2
147.04494	1.7
148.09663	1.5
154.08681	1.6
156.10159	3.3
157.04918	5.4
160.09705	9.5
162.05496	3.2
162.07417	1.9
163.03899	4.7
166.08612	5.1
172.09688	3.7
174.11246	8.4
178.01689	1.4
181.04907	2.2
182.08139	3.7
184.09660	34.7
187.05980	1.8
187.07503	2.0
192.08617	2.5
198.07553	4.4
199.05922	5.6
202.10701	100.0
203.11180	2.3
207.06497	2.5
211.09608	6.4
216.08563	5.0
217.07063	3.3
220.11754	22.8
225.07480	4.9
230.10187	9.7
234.09665	8.8
244.11755	3.6
262.12787	19.2
282.13254	2.0
297.09567	3.0
304.13919	2.5
310.12881	8.8
315.10629	12.9
320.03485	1.5
322.14767	4.9
328.13840	78.1
329.13885	1.6
332.13397	1.9
346.14908	24.9
350.14487	10.8
350.18243	2.3
364.15952	71.2
365.16422	3.2
378.96594	1.5
389.20593	1.4
426.17178	2.0
444.18454	7.4
462.19662	9.9
480.21133	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	479.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.9
53.03922	5.8
55.01865	2.9
55.05501	16.3
56.25015	1.8
57.03424	9.4
57.07064	2.9
61.02901	1.8
65.03922	3.8
67.05495	52.1
68.05845	1.5
69.03389	2.5
69.07053	15.5
71.04971	6.0
71.10558	1.5
71.10894	3.4
77.83842	1.7
79.05482	43.1
80.05800	1.9
81.03407	30.9
81.07043	65.8
82.07364	2.1
83.04975	9.5
83.08614	16.5
85.02889	13.4
85.06519	3.5
91.05463	37.4
93.07030	45.9
94.07307	1.6
95.04958	23.6
95.08585	19.8
96.05309	1.9
97.02866	2.2
97.06519	7.4
97.10165	5.2
101.68192	1.8
103.05462	2.6
105.03379	28.0
105.07007	21.9
106.03703	15.3
107.03918	2.3
107.04950	5.6
107.08588	20.8
109.06487	4.8
109.10126	5.0
109.40242	1.5
111.04419	4.5
111.08060	8.8
113.09592	2.0
117.07002	8.5
119.08566	12.8
120.08079	8.1
121.02848	100.0
121.06484	2.8
121.10132	18.5
122.03167	2.2
123.08083	1.9
123.11723	1.5
129.06993	5.8
131.08553	16.4
133.10146	12.4
135.07973	2.4
135.11671	8.9
139.00250	3.4
142.07797	2.0
145.10109	2.7
147.11685	10.1
149.05997	2.3
149.09552	3.1
149.13216	15.5
155.08432	1.9
157.10103	6.5
159.11626	7.8
165.12660	2.3
170.01131	1.4
175.11227	7.7
177.12791	2.7
193.12228	30.3
195.13812	7.0
200.12074	1.7
211.11249	1.8
211.13254	32.3
213.14803	1.6
240.10182	38.2
267.15906	10.4
269.17474	5.0
274.04797	1.8
287.05457	6.6
302.04279	3.0
303.05023	2.1
315.05148	7.0
317.06665	4.8
351.22797	2.4
357.13345	2.0
358.13480	6.0
369.24347	1.8
387.25107	2.4
404.36395	1.6
438.90930	1.5
443.27591	1.7
461.28949	11.6
479.13364	11.9
479.18512	2.4
479.29910	76.2
480.13480	3.3
480.30569	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1178
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.66193	0.2
53.03913	0.2
55.01851	0.2
57.03416	0.7
61.02916	5.4
69.03419	1.4
69.87437	1.1
72.45022	0.1
73.02905	1.4
74.08068	0.1
81.03396	0.6
83.04906	0.2
85.02893	5.7
91.03948	2.6
93.03355	0.2
93.07002	0.2
95.04973	0.4
97.02875	2.7
98.21407	0.3
99.04419	0.3
99.18916	0.1
109.02865	0.5
121.02831	1.1
123.04416	1.4
124.01582	0.4
125.02336	0.6
127.03903	1.0
135.04314	0.2
137.02315	2.6
139.03870	0.2
141.05437	0.3
145.04936	0.7
149.02341	0.4
150.03078	0.2
151.03931	0.8
163.03908	0.5
167.03375	4.0
179.03354	1.6
180.04243	0.2
185.74162	0.1
187.07538	0.3
191.03340	0.2
193.04929	0.2
197.04422	0.8
200.04637	0.5
209.04427	0.2
215.06995	1.5
219.02975	0.2
228.04211	0.4
233.08122	0.3
243.06502	3.6
256.03732	0.3
257.04260	0.4
261.07568	0.4
271.05981	1.9
273.03906	0.4
274.04727	3.2
288.06216	0.7
289.07001	0.2
299.05493	0.7
302.04126	2.2
317.06506	100.0
318.03464	0.3
318.06897	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	479.1177
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.37670	0.2
69.03386	0.2
69.76332	1.4
72.07805	0.2
75.53162	0.2
83.96001	0.2
85.02868	0.4
149.05974	0.2
153.39381	0.2
169.01280	1.7
219.40778	0.2
233.90137	0.2
238.42650	0.2
245.04347	0.2
246.05315	0.2
274.04669	11.6
275.04962	0.6
302.04153	33.9
303.04492	2.3
317.06497	100.0
318.06848	5.2
322.49524	0.2
460.82724	0.2
479.11761	14.8
480.12021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1178
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
50.15416	0.5
53.03920	2.0
54.82551	0.5
55.01863	0.7
55.05505	0.7
57.03417	1.2
59.04971	0.9
60.31981	0.6
61.02906	0.9
67.05472	1.3
68.99764	1.1
69.03404	2.5
69.07022	0.8
70.06547	0.6
71.01347	3.0
71.04964	2.5
71.14861	1.3
71.15237	1.1
73.02901	8.6
73.06572	0.7
79.05476	0.9
81.03400	2.8
81.07039	2.7
83.01323	0.8
83.04919	0.5
85.02892	39.9
85.06530	2.6
87.04449	4.0
91.05434	1.1
93.07021	1.2
95.04941	0.9
95.08583	2.0
97.02869	2.3
97.06514	1.4
99.04435	6.4
101.02400	1.3
101.05968	0.8
103.03953	1.3
105.07005	1.3
107.04933	0.8
107.08543	1.0
109.02855	2.2
109.10156	0.7
113.05979	0.8
114.53757	0.5
115.03869	1.0
119.08566	1.0
121.02814	1.8
121.06446	0.7
121.10135	0.8
123.04394	1.1
125.02319	0.6
126.57733	0.6
127.03879	4.8
133.10095	1.0
135.04399	0.8
137.02324	5.2
137.05936	2.4
137.09584	0.6
139.03889	0.8
141.05449	1.9
145.04930	3.5
147.04390	0.9
151.03870	0.9
151.07492	1.5
153.01796	4.9
155.04759	0.6
155.14281	3.2
161.05963	0.8
163.03871	1.7
165.01828	1.9
167.03403	1.8
173.05896	0.9
173.15300	3.9
179.03354	0.8
183.04463	0.6
187.03897	0.7
191.14316	0.7
195.10097	0.8
195.78047	0.6
197.24127	0.6
201.05360	2.7
203.03409	0.8
215.07068	1.4
228.04158	0.9
229.04886	4.7
237.09151	1.5
238.09389	1.3
243.06548	1.8
247.06076	0.6
252.10982	0.8
257.04355	3.3
259.09601	0.7
265.08429	0.7
269.04483	0.6
271.05896	1.1
273.03851	5.1
274.04672	5.2
285.03918	2.4
286.04568	0.8
301.03354	2.7
302.04175	20.2
303.04941	100.0
304.05215	5.0
315.05048	1.5
317.06512	60.8
318.06702	2.6
343.04398	3.8
345.06049	7.5
361.05466	5.7
411.06805	0.8
419.08478	0.6
425.08572	0.7
461.10715	2.3
479.11688	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	479.1173
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03943	0.2
56.11180	0.1
57.03413	0.3
61.02902	0.7
69.03419	1.2
70.40648	0.1
71.04971	0.2
71.29797	0.4
73.02905	0.3
81.03403	0.5
85.02888	3.8
87.04462	0.2
89.48264	0.1
91.03932	0.4
92.02625	0.3
93.03393	0.4
97.02872	1.3
99.04444	0.2
109.02857	0.4
112.18190	0.1
115.68720	0.2
121.02882	0.3
123.78059	0.1
127.03904	0.6
145.04953	0.6
151.03847	0.2
153.01788	2.3
165.01840	0.2
166.02513	0.2
169.01265	0.9
201.05481	0.2
217.05023	0.4
218.05649	0.2
228.04219	0.5
229.04939	1.2
245.04436	0.5
246.05194	0.7
257.04431	0.8
260.03152	0.3
273.03879	0.8
274.04657	9.2
275.05069	0.4
284.03058	0.2
285.03925	1.7
286.04456	0.2
302.04153	24.5
303.04599	1.0
317.06491	100.0
318.06842	3.5
351.70758	0.2
479.11664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1177
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
57.03427	0.5
58.52596	0.2
58.95669	0.2
61.02917	7.3
65.03940	0.2
67.77170	0.2
69.03419	1.2
70.08350	0.9
73.02908	2.1
73.95191	0.2
81.03419	0.2
85.02892	5.9
90.98962	0.2
91.03942	4.2
92.02621	0.8
93.03385	1.0
97.02876	3.3
98.20729	0.3
99.04412	0.4
101.02399	0.2
109.02882	0.4
111.00763	0.2
115.03928	0.4
121.02865	0.9
126.03123	0.4
127.03912	0.8
137.02342	0.3
139.03859	0.7
145.04910	0.7
151.03883	0.9
153.01794	6.7
163.03877	0.2
165.01811	0.6
166.02562	0.2
177.05443	0.2
183.02843	0.2
201.05449	0.6
203.03375	0.6
217.04926	0.8
218.05739	0.4
219.02818	0.3
228.04158	1.1
229.04919	4.0
231.02730	0.3
245.04428	1.3
246.05171	1.8
257.04419	2.6
260.03198	0.4
261.07458	0.4
271.05942	0.3
273.03842	1.5
274.04684	4.7
275.04892	0.3
284.03018	0.4
285.03897	4.6
286.04434	0.3
302.04160	11.8
303.04568	0.5
317.06503	100.0
318.06805	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	478.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
57.07063	3.1
58.07982	0.2
67.05499	1.6
68.53683	0.2
69.07055	1.9
71.08609	2.2
71.79700	0.3
75.50362	0.2
77.25871	0.2
79.05474	1.3
81.03368	0.9
81.07034	2.3
83.04955	0.4
83.08581	0.5
85.10167	1.1
91.05465	0.8
93.07011	0.8
95.04953	2.0
95.08604	2.0
105.07028	0.8
107.08563	0.7
109.02860	2.1
109.06505	0.6
109.10138	0.6
119.08550	0.3
121.06480	0.3
123.04404	1.9
123.08042	0.3
125.05925	0.5
133.10098	0.4
137.05927	0.5
149.80524	0.2
180.04323	0.2
207.17378	2.3
235.16861	1.4
249.18480	2.1
278.24707	0.3
283.80008	0.3
317.24103	0.3
321.30157	0.2
324.25247	1.5
361.30923	100.0
362.31226	4.7
478.37863	0.4
479.37869	0.3
500.52756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.05507	5.9
56.05843	0.9
57.07058	3.8
67.05495	6.6
68.05011	2.0
68.05833	1.2
69.07056	2.9
70.02950	1.6
70.10011	0.8
71.08619	2.9
71.78989	1.3
79.05489	4.5
80.05007	0.9
81.07038	8.5
82.07364	1.3
83.08585	1.9
84.04466	2.2
85.10172	1.9
91.05473	2.3
93.07031	2.4
95.08572	8.2
97.10139	1.9
98.10468	1.0
105.07029	1.6
107.08583	3.1
108.45126	0.9
109.10159	1.6
112.07616	1.0
119.08563	1.4
121.10093	1.3
125.09570	2.1
129.65479	0.7
131.08621	0.8
164.89351	0.8
165.06989	1.4
165.08992	0.8
167.08559	0.9
177.03018	0.9
178.07803	3.6
179.08559	1.8
179.88982	0.8
181.06477	1.7
188.08307	0.9
191.08560	2.8
192.17482	2.8
193.10089	1.5
194.07343	2.0
195.08031	5.7
199.11685	0.7
203.04688	0.9
205.06587	1.6
206.07233	4.1
207.08005	14.9
208.08812	2.9
209.05959	2.2
209.09633	3.6
210.06795	1.4
210.10269	0.9
210.18498	16.0
210.20345	1.5
218.07332	1.7
219.08096	2.2
221.09549	4.7
222.06972	1.0
222.10359	16.9
223.07530	9.8
223.11317	1.1
224.08356	1.7
225.09085	3.6
229.67862	0.7
233.05980	1.8
234.06816	3.0
235.07448	9.9
237.05353	1.2
237.09065	9.8
238.09837	19.8
248.08397	1.2
249.09111	3.8
250.09865	30.4
251.06996	23.5
251.09915	1.2
251.10753	1.1
252.07884	2.5
253.08432	1.7
253.12195	35.2
254.12459	1.8
266.09320	27.3
266.18427	0.8
267.10098	2.4
279.10062	1.1
281.11673	52.5
282.12103	1.8
293.10516	1.6
303.04922	1.0
308.12747	24.5
324.15860	16.6
337.27411	2.5
435.25494	2.6
460.34894	1.3
478.29507	100.0
478.35992	10.2
479.20853	1.6
479.29828	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	478.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
57.07058	1.7
63.66325	0.5
67.05479	2.1
68.04739	0.4
68.05016	4.2
69.07048	0.6
70.91710	1.0
71.08619	2.5
78.26278	0.4
79.05463	1.0
80.19112	0.4
81.07040	2.6
82.06551	1.3
83.08586	0.4
85.10159	1.4
93.07011	0.5
95.08581	2.4
96.04452	1.3
105.07018	5.4
109.10116	0.7
121.02881	0.5
155.14270	1.2
180.31766	0.4
189.06898	1.0
194.93605	0.4
198.18495	10.1
202.07701	1.1
203.08531	1.5
205.06439	4.3
207.08067	0.5
208.16852	1.9
215.08476	1.6
216.05678	1.4
217.06429	8.2
218.07193	2.1
219.08022	3.0
220.08618	0.6
221.09528	1.3
223.07509	0.7
230.09573	1.0
231.08044	1.5
232.08807	31.3
233.05928	30.6
233.09343	3.0
234.06311	1.0
234.10208	0.5
235.07559	0.5
237.09061	1.0
240.19498	2.4
243.10231	0.4
245.09673	0.9
246.09111	1.4
247.07466	1.0
247.09915	0.6
248.08275	51.2
249.08893	2.4
250.09760	0.4
251.10722	0.6
257.08585	0.6
258.09207	1.2
259.07431	1.1
259.09946	0.9
260.07053	1.3
260.10593	1.1
262.08438	0.8
263.10620	100.0
264.10910	2.7
265.12155	0.6
270.09158	0.6
272.10645	0.5
273.11542	0.5
274.08582	9.3
274.12186	3.1
275.09238	2.7
277.12149	1.5
284.10571	0.6
289.12213	3.8
290.11685	23.5
291.12064	0.5
306.14813	3.0
393.24265	1.2
428.25635	2.4
442.27460	2.4
460.28387	30.9
461.28946	0.8
478.29416	7.0
478.40213	1.7
487.13577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2923
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03941	0.7
55.05304	0.7
55.05505	7.7
55.15918	0.6
55.20828	0.7
57.03418	3.2
57.07070	2.0
60.24557	0.7
62.06081	33.9
67.05495	22.6
69.07056	12.4
70.07795	1.5
70.08210	3.2
77.86935	0.8
79.05480	6.6
80.82560	0.7
81.07046	25.5
83.08606	5.6
91.05477	4.0
93.07028	8.3
95.04996	0.8
95.07990	1.0
95.08593	19.1
97.06511	1.1
97.10160	3.0
98.06005	0.9
98.98450	8.6
105.03371	5.1
105.07013	3.7
106.03732	1.2
107.08578	4.7
109.10141	6.7
119.08544	2.7
121.02857	6.9
121.10134	4.1
122.03164	1.5
123.11685	3.2
124.01583	1.5
133.10172	2.4
135.11646	2.2
137.13245	1.1
142.02629	1.5
147.11652	1.8
149.13275	0.9
151.14864	0.9
155.01004	5.2
163.14841	1.0
173.02101	1.5
177.16272	0.9
198.05241	1.8
203.07253	0.7
216.06248	3.6
229.26274	0.8
240.10074	1.6
241.10468	1.1
245.22598	2.7
249.52394	0.8
263.23672	6.6
306.27875	11.2
319.26227	1.1
337.27316	100.0
338.27591	3.5
395.15775	0.7
409.50443	0.7
417.24280	1.5
421.04276	0.9
460.28268	7.1
478.29105	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2922
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03928	0.8
55.05502	10.5
57.03424	6.6
57.07054	1.6
63.53199	0.5
64.29143	0.3
65.03930	1.2
67.05493	22.8
67.84546	0.4
69.07056	13.1
69.95736	2.0
71.04964	0.4
71.08611	0.8
73.01204	0.4
74.73436	0.4
74.90199	0.4
75.68694	0.4
76.20336	0.4
79.05478	6.3
81.07041	22.3
83.08602	7.4
83.56659	0.4
85.06509	0.4
86.57299	0.4
91.05470	3.5
93.07030	6.1
95.04922	0.4
95.08588	18.3
96.00594	0.3
97.06487	1.5
97.10150	2.5
97.86987	0.4
100.15681	0.5
105.03358	1.4
105.07006	3.2
107.08576	3.3
109.10136	6.1
110.75931	0.3
111.08056	0.5
119.08556	2.5
120.08079	0.6
121.02842	13.2
121.08463	0.4
121.10127	2.6
122.03187	4.2
123.08020	0.5
123.11702	2.3
124.01522	0.5
131.93987	0.4
133.10109	2.5
135.11641	1.3
137.13226	0.7
138.24686	0.5
147.11688	1.3
149.13245	1.2
161.13242	0.9
163.14664	0.4
175.14809	0.8
180.26382	0.4
198.05168	0.6
216.06305	0.9
217.19708	0.4
238.70711	0.4
240.10118	2.8
241.10506	3.0
245.22614	0.6
252.51210	0.4
263.23593	0.9
306.27850	2.1
337.27301	100.0
338.27679	1.7
420.78879	0.5
420.84314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
55.01862	1.7
55.05502	3.7
57.03416	1.8
57.07043	1.6
61.02923	2.3
67.05492	7.6
68.05847	1.0
69.03415	6.0
69.07060	4.2
70.07325	1.0
70.25662	5.0
71.04974	2.4
79.05476	13.4
80.05805	1.8
81.03397	8.1
81.07041	100.0
82.07383	2.5
83.04986	1.6
83.08630	2.4
85.02892	31.4
85.06528	1.2
87.04459	1.3
88.93858	1.0
91.05454	6.9
92.05805	1.9
93.07034	18.8
95.04962	6.1
95.08604	11.1
96.63010	0.9
97.02873	7.9
97.10172	3.1
99.04437	14.6
103.03922	43.8
105.01855	1.4
105.03381	22.2
105.07005	4.6
106.03698	5.3
107.04976	2.2
107.08571	12.2
109.02868	5.3
109.10133	2.2
110.76458	0.9
117.07059	1.0
119.08585	1.7
121.06516	1.4
121.10126	1.9
123.08051	1.4
123.11770	0.9
125.09621	1.9
127.03893	40.1
127.04839	2.2
129.06956	1.6
131.08499	2.1
133.06529	1.3
133.10092	1.8
135.08058	1.7
135.11678	11.9
137.13232	24.6
145.04927	33.1
145.10120	1.3
147.11681	1.5
149.09625	1.1
149.13258	2.4
151.07542	4.6
153.23575	0.9
163.04608	2.1
163.05986	43.8
171.07961	1.0
175.11206	2.0
185.13141	0.9
187.05939	2.4
189.11253	1.8
191.10619	1.7
193.12238	1.3
194.12537	1.2
199.11195	1.3
205.07048	1.4
232.10413	1.2
268.16171	1.3
271.08109	4.3
278.92548	1.0
281.17352	2.0
289.09128	4.6
295.86456	0.9
307.10153	24.3
307.13428	1.6
317.06509	2.1
350.21790	1.5
356.12830	2.5
357.13110	4.3
368.22949	4.3
386.23917	7.0
404.25101	1.8
442.26306	1.7
460.27625	9.9
478.28369	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	478.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
53.03956	4.1
53.04157	1.0
55.01863	1.8
55.05497	6.7
56.96883	1.0
57.03421	2.1
57.07084	1.1
61.02912	2.3
65.03939	1.0
67.05489	8.8
68.05820	0.8
69.03417	7.4
69.07057	4.9
70.99471	1.7
70.99802	1.1
71.04991	2.1
73.02923	1.0
79.05477	25.6
80.05814	1.6
81.03406	8.9
81.07041	100.0
82.03728	1.4
82.07372	2.5
83.04937	1.5
83.08601	3.2
84.08932	1.0
85.02892	33.6
85.06561	1.1
87.04444	1.4
91.05467	14.2
92.05764	1.6
93.07028	68.5
94.07363	2.4
95.04959	9.9
95.08590	10.2
97.02874	11.8
97.10158	4.9
99.04440	16.4
103.03927	42.2
105.01861	1.4
105.03374	30.0
105.04461	1.9
105.07012	5.4
106.03713	8.0
106.07359	1.0
107.04936	3.6
107.08575	37.7
108.08900	1.9
109.02857	7.6
109.06491	2.1
109.10101	2.3
111.84034	0.9
115.03938	1.3
117.07000	1.9
119.08558	4.3
121.02892	0.8
121.06496	2.1
121.10123	2.4
123.08046	1.2
123.11693	1.5
125.09610	2.6
126.10005	1.1
127.03894	47.5
129.06946	1.4
131.08556	2.1
133.06435	1.1
133.10136	2.2
135.04300	0.8
135.11671	52.0
136.12030	1.8
137.13232	23.0
145.04939	30.5
145.06552	1.5
147.07953	1.0
149.13225	2.2
151.07500	4.2
153.09093	1.0
159.02856	1.2
163.05995	46.0
175.11061	1.0
187.06050	1.8
191.10696	1.1
193.12198	1.2
194.12581	1.3
205.07092	2.1
205.12195	1.1
228.30447	0.8
267.15872	1.1
271.08014	6.3
281.17422	3.3
289.09097	5.1
307.10187	22.5
323.18256	1.3
350.21747	1.2
356.12939	1.8
357.13242	6.4
358.24466	1.8
368.22888	3.5
386.23984	9.3
404.24933	2.1
442.26572	1.2
460.27548	9.5
478.16174	1.0
478.28683	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	478.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14410	1.1
53.03938	4.9
55.01866	2.6
55.05496	5.6
56.05822	1.3
57.03429	1.8
57.07057	1.6
59.29740	1.1
61.02915	1.8
67.05494	6.6
68.05826	1.5
69.03420	7.7
69.07056	4.0
71.04961	2.2
71.78751	1.2
71.79215	1.8
77.03911	1.1
79.05070	1.8
79.05482	20.6
80.05814	2.0
81.03408	8.2
81.07043	100.0
82.03706	1.1
82.07381	1.4
83.04981	1.4
83.08624	2.8
85.02890	34.6
85.03378	2.0
85.06524	1.3
87.00790	1.3
91.05469	9.6
92.05834	2.0
93.07029	58.0
95.04951	8.3
95.08602	12.0
96.05293	1.8
96.08948	1.8
97.02861	10.2
97.10162	4.4
99.04440	15.9
101.64661	1.3
103.03928	39.6
105.01871	1.3
105.03378	28.5
105.04448	1.3
105.07010	4.1
106.03702	9.6
107.04916	2.3
107.08582	32.4
107.09309	1.8
109.02847	7.7
109.06503	1.5
109.10153	2.9
111.04362	1.4
115.03925	1.6
119.08542	2.7
121.02856	1.7
121.10111	2.5
125.09647	1.2
127.03895	41.6
133.10135	1.7
135.08171	1.2
135.11670	45.3
136.11998	2.5
137.13228	23.6
145.04932	33.4
145.10106	1.2
147.11716	1.5
149.13243	2.5
151.07523	5.7
163.05989	49.6
171.11792	1.2
175.11195	1.3
187.05995	2.3
187.11177	1.4
189.11186	1.5
193.12254	1.5
205.07005	1.8
205.12213	1.1
260.09744	1.3
268.16147	1.8
271.08121	6.3
274.15042	1.8
281.17325	2.7
289.09079	7.1
307.10202	21.9
357.13000	5.9
368.22842	4.2
386.23926	8.2
403.24921	1.5
404.25003	3.3
460.27652	9.6
478.28680	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
53.16616	1.1
55.01854	3.8
57.03428	24.2
59.04983	5.0
60.04509	3.0
61.02896	3.6
65.32050	1.0
67.05484	2.2
69.03417	79.2
69.07050	3.1
70.16307	7.6
73.02901	3.9
75.04465	6.4
79.05478	7.9
81.03401	4.5
81.07026	4.4
83.04959	2.3
85.02889	63.9
87.04452	63.0
89.64281	1.3
91.03931	1.5
91.05450	5.8
93.07029	23.9
95.04957	3.9
95.08561	4.2
96.04462	1.3
97.02876	77.4
97.06451	1.8
97.10137	3.1
98.29935	1.2
99.04444	3.3
103.03949	1.5
105.03394	2.3
105.07020	5.4
107.08585	6.5
109.02846	2.2
111.04436	2.2
111.08074	3.0
115.03909	100.0
117.07050	2.3
119.08527	3.6
121.06499	2.1
121.10125	40.4
123.08028	2.3
123.11700	1.9
125.05909	1.9
125.09608	2.0
127.03910	8.5
131.08527	2.0
133.04944	97.6
133.10071	2.0
135.11655	4.1
136.38202	1.2
139.11163	9.2
143.08557	1.6
144.06512	2.1
145.04930	8.3
145.10112	2.6
147.11618	2.0
149.09602	5.3
150.07602	5.0
151.03937	1.4
159.11702	1.6
161.09526	1.3
163.11174	2.2
167.10678	13.5
169.04964	2.1
171.11734	1.6
180.08774	1.8
185.08092	4.4
187.05963	1.6
191.10670	5.1
193.04968	1.5
233.11502	2.0
241.07027	3.8
245.11810	3.2
253.14331	3.6
259.08005	3.1
263.12817	2.1
277.09299	3.3
281.13785	8.4
294.10971	1.2
302.04260	2.4
317.06488	30.0
331.08032	2.8
332.08386	6.7
368.22903	1.3
386.23950	2.4
406.35306	1.5
460.27518	3.7
478.13647	1.6
478.28564	2.0
489.48874	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
52.01575	0.6
52.68160	0.6
53.03938	4.5
55.01853	1.3
55.05502	5.6
56.05834	1.1
57.03443	0.9
57.07051	0.8
57.73573	0.6
61.02913	0.9
65.03939	0.9
66.55706	0.5
66.92262	0.6
67.05490	5.0
68.05820	1.0
69.03404	3.6
69.07066	3.3
69.91314	1.6
69.91724	2.8
71.04972	1.0
73.02901	0.8
75.93647	0.6
79.05483	27.1
81.03394	4.9
81.07042	11.4
82.07397	0.9
83.04982	1.0
83.08612	1.4
85.02892	8.1
87.00813	2.5
91.05464	18.4
92.05759	0.8
93.07029	100.0
94.07359	1.5
95.04948	8.6
95.08569	1.6
96.05250	0.6
97.02892	4.3
97.10148	3.0
98.10487	0.7
99.04427	2.1
103.03899	2.2
105.01849	2.6
105.03375	23.1
105.04516	1.7
105.07014	5.6
106.03690	7.1
107.04955	2.6
107.08576	64.6
109.02852	2.9
109.06516	2.4
109.10152	1.2
112.66585	0.7
117.07018	1.0
119.08569	2.2
121.02858	1.1
121.06469	1.5
121.10119	0.9
122.06841	0.6
125.09619	2.7
127.03890	6.3
129.06990	1.4
132.08827	0.9
133.10118	2.0
135.11671	84.4
136.11990	1.3
137.13248	1.3
145.04898	3.4
151.07491	0.7
151.11139	0.9
153.12724	0.9
159.02853	1.7
163.05991	2.3
176.47078	0.7
189.11090	0.9
191.10612	0.8
194.12575	0.7
195.13805	1.1
211.13304	0.9
231.05040	1.0
267.16101	0.7
271.07156	1.1
274.14905	1.3
290.03348	0.7
307.10074	0.7
317.06345	0.9
340.23663	0.7
350.21994	1.5
356.12918	1.1
357.13107	5.0
358.24289	0.8
368.22870	4.1
386.24069	5.8
404.24905	2.0
442.26321	1.3
460.27689	7.6
478.16068	1.4
478.28775	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	478.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50583	0.9
57.03413	1.0
58.20058	1.1
61.02927	1.5
69.03417	3.3
71.01336	1.0
71.79719	1.6
79.05473	1.2
84.08135	0.9
85.02876	8.1
89.03875	1.1
91.05463	16.3
95.04962	6.5
97.02876	2.8
99.04457	2.3
101.05982	1.4
103.05501	1.1
108.08099	5.7
109.02852	1.2
117.05521	2.3
117.26878	1.0
119.04926	23.3
121.06484	2.1
123.04411	31.2
123.65401	0.9
124.07524	0.9
127.03915	2.7
131.18741	1.1
135.04463	0.9
136.07552	77.5
137.05971	12.2
137.07904	1.4
137.47859	1.1
145.04967	2.3
147.04366	14.1
152.07071	6.2
154.06018	1.8
154.08559	5.3
157.03406	1.5
161.02937	1.9
161.05478	1.1
163.03897	4.0
165.05453	54.5
170.08272	1.0
173.02904	1.1
182.08101	100.0
183.08440	2.2
188.50847	0.9
245.05013	2.3
250.07874	2.1
314.12137	2.6
314.76849	1.2
316.11191	1.1
321.10208	1.9
332.13367	5.6
385.74222	0.9
399.92294	0.9
478.18912	2.7
479.11603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26027	1.1
53.03931	5.2
55.01858	3.6
55.05502	7.6
57.03415	2.4
57.07061	1.9
59.04982	1.2
61.02895	1.8
65.03908	1.3
67.05492	8.3
69.03423	10.0
69.07053	7.5
70.25462	3.8
71.04982	7.5
73.02899	2.2
74.86341	1.2
79.05483	23.3
80.05793	2.7
81.03407	14.7
81.07042	67.5
82.07395	1.8
83.04964	1.2
83.08607	3.0
85.02895	26.8
85.06479	1.3
87.00822	10.6
91.03936	1.4
91.05457	16.5
92.05761	1.2
93.07029	64.0
94.07346	1.2
95.04963	5.7
95.08609	7.5
97.02872	12.1
97.06518	2.3
97.10136	3.7
98.10514	1.3
99.04440	4.4
103.03925	2.4
105.01843	9.5
105.03372	1.3
105.07014	7.7
107.04917	3.2
107.08573	60.5
108.08932	2.6
109.02851	8.5
109.06488	7.2
109.10134	5.2
110.95220	1.1
115.03899	1.4
117.01817	1.5
117.07046	1.2
119.08551	4.9
121.06500	2.3
121.10149	1.3
123.07977	2.2
125.09615	3.0
127.03893	20.7
129.05353	1.0
133.06490	1.2
133.10124	1.2
135.11671	100.0
136.12021	2.9
137.02266	2.8
137.09583	6.8
145.04935	9.6
145.06004	1.5
145.06445	1.4
147.02884	1.2
147.11646	2.3
149.13225	2.5
151.07585	1.7
153.12727	19.2
159.02913	5.1
163.11195	1.8
189.11234	2.1
189.12773	1.6
193.12233	1.2
194.12498	1.4
195.13777	74.5
213.14804	4.3
224.14278	1.0
231.05037	3.7
280.10501	1.5
297.03900	3.5
316.60733	1.2
317.06540	2.1
358.24478	1.2
368.22952	4.9
383.16879	1.6
386.23965	7.4
404.25150	1.9
426.50217	1.3
460.27698	11.1
478.29092	7.1
479.09067	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	9.0
55.18362	1.2
57.03421	1.4
57.06783	2.4
57.07061	37.4
57.56573	1.2
65.46929	1.1
67.05493	20.9
69.07047	14.7
71.04974	1.5
71.08616	45.3
71.83176	1.7
73.02898	2.1
79.05479	15.1
81.07040	39.4
83.04966	5.1
83.08593	4.3
85.02892	8.1
85.06513	2.5
85.10168	22.4
85.56377	1.3
91.05449	4.5
93.07024	12.7
95.04950	2.2
95.08590	41.9
97.06497	3.5
105.06997	7.0
107.04927	1.4
107.08580	8.9
109.02859	5.4
109.06481	2.9
109.10125	6.8
111.04433	2.0
119.08567	4.7
121.06475	2.3
121.10125	4.7
123.08062	3.1
123.11686	2.4
125.09628	5.6
131.08540	3.9
133.10104	3.9
135.08047	3.9
135.11679	3.2
137.13214	3.6
139.11177	2.0
142.40561	1.3
145.10060	1.6
149.09532	2.1
149.13179	1.6
153.09081	3.5
155.14276	39.9
156.97574	1.4
199.16898	9.7
211.16991	1.5
221.18971	8.6
235.16856	11.6
238.18005	1.9
251.23642	15.3
261.22098	20.1
279.23135	100.0
280.23489	2.5
287.23657	3.7
289.21704	1.5
305.24564	7.0
323.25653	5.4
327.82553	1.6
350.06113	1.4
415.33850	5.3
429.31906	2.5
441.37256	3.5
447.33167	1.9
477.33731	27.8
478.34738	2.0
502.47507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.2
55.01856	12.3
55.05499	48.6
57.03426	15.0
57.07048	2.2
57.26240	1.3
59.04983	1.7
64.90794	1.6
65.03928	4.6
67.05491	55.4
69.03417	8.6
69.07051	14.0
70.24991	8.3
71.04974	5.6
79.05009	2.5
79.05476	65.1
81.03401	74.9
81.07036	52.5
82.87565	1.5
83.04962	17.3
83.08607	36.0
85.02893	10.1
85.06516	2.7
91.05460	54.0
93.07021	33.5
95.04950	31.7
95.08587	24.1
97.02877	1.8
97.06525	5.9
97.09556	3.1
97.10151	40.9
99.08124	2.1
105.07009	41.4
107.04942	27.7
107.08573	28.8
109.06493	10.0
109.10131	13.3
111.04427	1.9
111.08070	9.8
113.05962	1.7
115.05412	3.4
117.06995	16.6
119.04895	4.2
119.08557	28.7
121.06486	26.0
121.10126	10.1
123.04443	1.7
123.08060	8.5
123.11694	3.5
125.05906	2.3
125.09612	31.2
128.06232	4.8
129.06987	20.3
131.04918	5.7
131.08537	24.0
133.06487	11.2
133.10104	15.3
135.04413	1.8
135.08028	10.0
135.11714	2.1
137.06003	2.0
137.09616	2.8
141.06973	5.7
142.07750	2.4
143.08524	8.5
145.06453	21.0
145.10089	12.5
147.04384	2.8
147.08028	9.2
147.11676	15.5
149.05936	2.4
149.09613	8.3
151.07536	2.4
151.11223	1.7
153.09084	7.1
155.08543	5.2
157.06494	3.1
157.10124	16.9
159.08037	6.3
159.11691	4.6
161.05977	2.0
161.09604	5.5
161.13283	1.8
163.11157	6.3
165.12743	3.7
167.08504	1.8
169.06546	1.9
169.10100	5.9
171.08047	5.2
171.10292	1.8
171.11668	7.0
173.09526	3.0
175.11150	14.6
177.12807	2.0
181.10120	2.9
183.11749	2.5
185.09628	3.1
185.13239	3.8
187.11214	2.5
187.14809	3.5
189.11197	19.0
189.12735	4.2
193.12216	42.1
195.11726	3.7
197.13164	2.9
199.11205	4.0
203.14258	2.6
205.12106	1.8
209.13297	2.7
211.11322	3.1
211.13193	20.8
211.14803	1.8
213.12744	2.0
215.14345	3.5
216.87190	1.5
217.12276	3.8
223.11171	3.3
223.13142	1.6
225.12724	1.9
227.12628	12.6
231.13832	3.1
233.15334	12.6
237.12688	2.3
241.14365	4.0
243.13808	4.6
245.15450	2.9
249.14803	4.9
255.13800	3.2
259.13159	3.5
267.15863	38.7
269.15247	2.6
271.16953	2.2
273.14835	11.3
275.16455	2.5
291.15942	3.6
323.20053	1.7
323.29825	1.7
329.24655	1.8
339.23203	7.4
341.21072	5.3
349.21521	15.2
357.24072	9.9
367.22644	44.2
368.23141	1.9
375.25372	2.2
385.23657	65.5
386.23898	2.9
403.24661	25.0
415.24759	3.5
431.27682	2.0
433.25964	12.2
441.26483	5.3
459.27316	100.0
460.28046	3.8
477.28415	84.2
478.28812	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.284
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
53.03930	6.4
55.01877	11.3
55.05504	42.9
57.03433	11.3
59.04974	2.6
67.05497	40.3
69.03409	4.4
69.07056	12.9
70.99032	7.2
79.05020	2.6
79.05482	47.7
81.03406	46.4
81.07042	34.8
83.04961	7.2
83.08592	24.1
91.05462	35.9
93.07029	29.9
95.04949	25.4
95.08598	17.4
97.06520	7.7
97.10151	36.0
101.09647	2.7
105.07037	24.8
107.04940	20.4
107.08588	20.3
109.06489	8.0
109.10171	10.5
111.08056	6.6
113.06004	2.8
115.05474	2.5
117.06998	12.0
119.08584	13.6
121.06485	25.4
121.10111	8.6
123.04501	2.6
123.08070	8.3
125.09619	29.5
129.06970	11.7
131.04884	3.0
131.08542	21.5
133.06451	10.0
133.10112	7.6
135.08008	11.9
135.11681	3.7
137.05983	4.0
137.09558	2.3
141.06950	3.6
141.18199	2.3
143.08499	12.7
145.06465	16.6
145.10094	9.4
147.04407	3.4
147.08038	9.3
147.11681	8.9
149.09596	7.5
153.09064	5.8
155.08546	4.3
157.06458	5.3
157.10083	10.9
159.08005	5.1
159.11601	3.4
161.05959	2.5
161.09622	4.8
163.11182	4.6
169.10120	5.1
171.07982	3.3
171.11670	6.5
173.09633	3.2
175.11195	7.3
177.12776	3.9
183.11668	3.6
185.09613	3.3
185.13268	4.7
187.11183	4.2
189.09570	2.6
189.11217	15.5
189.12671	3.7
193.12187	19.0
195.11726	3.4
197.13257	2.2
199.11118	4.2
201.12761	2.4
205.12178	2.0
211.11398	2.5
211.13263	4.6
213.12793	3.4
215.14310	6.0
219.13727	3.4
223.13313	4.2
225.12589	3.1
227.12672	14.7
231.13644	3.1
233.15373	13.4
241.14284	3.6
245.15498	3.3
249.14803	3.0
255.13756	2.8
265.24509	2.6
267.15875	40.3
273.14886	10.1
318.48907	2.5
323.19974	2.5
339.23053	5.7
341.20984	7.3
349.21515	12.1
357.24216	8.7
367.22653	32.0
385.18585	3.1
385.23615	58.7
403.24634	22.1
415.24570	6.0
433.25867	23.5
441.26215	5.8
459.27316	100.0
460.27899	3.0
477.28418	54.5
478.28806	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.2
53.03939	0.3
55.01855	0.2
55.05501	0.2
65.03928	1.7
67.05490	0.4
68.99773	0.2
69.03465	0.1
69.07047	0.3
79.05479	0.3
81.03397	0.1
81.07065	0.5
83.08611	0.3
83.68789	0.1
84.04339	0.1
91.05440	0.5
93.07015	0.4
95.04950	1.1
95.08580	0.4
97.10175	0.1
98.21435	0.3
103.05449	0.3
105.03374	15.0
105.07018	0.4
106.03709	0.1
107.04940	0.3
107.08577	0.4
109.10156	0.1
111.04432	1.5
111.08058	0.1
117.07027	0.1
119.04916	0.1
119.08596	0.2
120.07156	0.1
120.08088	8.4
121.02844	100.0
122.03172	0.8
131.08592	0.1
133.10115	0.1
135.04411	0.2
135.11716	0.2
141.37389	0.1
145.10025	0.1
152.90697	0.1
163.11127	0.1
197.09529	0.1
234.09151	0.2
238.08514	0.5
238.18010	0.2
239.09254	0.2
240.10153	38.1
241.10512	0.7
262.01801	0.1
307.33902	0.1
336.26184	0.1
356.12665	0.5
414.01950	0.1
459.26831	0.2
477.18286	0.2
477.28342	0.5
477.36148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.7
55.05478	0.5
57.07052	0.6
67.05475	0.5
69.07048	0.6
70.06540	0.2
71.01321	0.3
71.08612	0.3
71.55053	0.4
73.02890	0.4
79.05478	0.4
81.07034	0.5
83.08630	0.2
84.37530	0.1
85.10159	0.1
85.48357	0.2
91.05461	0.4
93.05782	0.8
93.07021	0.4
94.06539	0.3
95.04934	0.2
95.08566	0.4
99.00783	0.4
103.85956	0.2
105.03371	0.7
105.07005	0.9
106.06540	1.0
107.04935	0.2
107.07305	0.5
109.10115	0.2
112.11181	0.3
115.03594	0.2
118.06519	0.3
120.04441	1.4
120.08067	1.0
121.02856	0.9
121.10104	0.2
122.06007	0.8
132.08112	0.2
133.10118	0.2
134.06018	0.2
134.09642	0.3
135.06770	2.9
136.07507	0.5
146.09584	0.2
148.07538	1.8
149.08321	0.5
150.09125	0.2
150.72368	0.2
160.07558	0.3
162.09102	0.8
162.12769	0.2
174.09125	0.2
178.08569	0.3
188.07149	0.2
190.12227	0.2
191.55998	0.2
206.08177	0.3
206.19044	0.8
208.09520	0.2
210.18880	0.1
218.18976	0.4
220.09589	0.4
220.20406	0.2
222.07567	0.2
232.16936	0.3
232.20544	0.5
234.18529	0.5
240.10147	0.2
246.18477	0.2
248.17432	0.3
248.20058	5.7
249.20432	0.3
260.20023	2.9
261.20547	0.2
267.25143	0.2
272.20041	0.5
274.21585	1.7
284.20090	0.2
286.21576	0.5
288.23340	0.2
293.48288	0.2
300.19635	0.4
318.20508	2.6
320.21951	0.8
332.22101	0.9
335.25735	0.6
342.31552	0.2
358.31143	0.3
360.32547	12.1
361.32840	1.0
364.21155	1.5
384.32550	0.2
386.34152	2.2
387.34555	0.3
430.33081	5.9
431.33435	0.3
432.34634	4.6
433.35101	0.4
458.26221	0.3
458.32553	0.9
476.33615	100.0
477.33981	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.7
57.07066	4.6
67.05479	2.2
69.80546	3.8
69.80951	1.6
71.08622	1.4
81.07025	1.9
82.67791	0.6
83.08603	1.2
84.04489	2.0
85.10159	1.2
87.73557	0.6
87.90434	0.7
95.08611	3.3
98.06030	0.9
105.07000	0.8
109.10136	1.6
112.07539	0.9
147.11693	0.9
153.29109	0.8
159.54536	0.7
178.07758	1.7
179.08551	4.1
189.06836	1.6
190.07738	3.3
191.08540	5.5
193.06430	1.3
193.10107	1.1
202.07701	1.2
203.08522	4.0
204.09360	0.9
205.06479	1.5
205.10112	3.2
206.07285	0.9
206.18938	1.8
207.07999	7.6
208.08698	0.8
217.06467	1.9
218.07210	6.0
219.08002	11.1
220.08824	1.1
221.06160	3.6
221.09555	20.2
222.10379	1.0
224.20059	18.3
232.08777	1.5
233.09604	7.0
234.10359	45.3
235.07491	41.6
235.10992	1.4
236.08255	7.1
237.09023	1.7
238.17973	0.9
249.09058	3.8
250.09845	57.1
251.04558	1.7
251.10249	0.8
252.04915	1.6
263.10324	0.7
265.12189	79.5
266.12531	2.0
276.10260	1.3
276.13730	0.8
292.13272	18.1
308.16388	11.6
364.17419	1.6
393.69730	0.8
420.23859	1.3
476.31464	100.0
477.31735	2.8
481.17834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.4
56.05022	0.8
56.73106	0.4
57.06824	0.6
57.07063	6.7
63.66507	0.4
67.05483	2.7
68.05011	0.9
69.07037	1.4
70.02922	0.7
70.03120	0.6
70.03531	2.4
70.06575	0.5
70.07459	0.4
71.08625	3.1
79.05468	0.8
81.07026	2.2
83.08589	1.5
84.04490	3.8
84.95806	0.4
85.10162	1.3
87.36431	0.4
93.07016	0.9
95.08588	4.1
98.06017	0.7
98.21340	0.7
99.06813	1.2
105.06998	0.5
107.08523	0.7
109.10117	1.4
112.07568	1.1
113.35949	0.4
123.11696	0.5
136.73805	0.5
159.47398	0.5
165.06990	1.7
167.08621	0.7
178.07753	0.5
179.08493	2.4
180.09264	2.3
181.06419	0.6
183.17358	1.2
189.06978	3.0
190.07745	10.6
191.08527	99.3
192.08951	1.9
195.08032	1.1
196.20523	0.4
202.07721	0.4
205.06523	1.0
205.10078	3.1
207.08038	5.0
208.08838	6.0
217.06563	0.6
217.10068	0.7
218.07338	2.2
218.09378	0.5
219.08017	57.2
220.08804	8.7
220.20564	1.1
221.09125	0.5
223.07516	2.1
224.08315	0.9
226.21632	1.2
233.09546	1.5
236.08292	16.4
238.21622	13.7
245.09671	0.9
251.10641	39.6
261.11417	0.5
262.12216	6.2
263.09351	7.7
276.10190	2.3
278.11716	36.1
279.12277	0.8
294.14804	7.4
304.09644	3.3
304.23257	0.5
306.07559	0.8
322.10715	2.6
345.69901	0.5
420.22626	0.6
444.28931	9.4
476.31509	100.0
477.31979	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01854	0.6
55.05512	7.8
57.03431	3.3
57.07067	1.5
62.06082	34.9
65.03921	1.2
67.05496	26.3
69.07059	8.2
71.04980	1.3
71.07147	1.4
71.07510	1.1
77.04286	0.5
79.05481	16.6
81.03399	0.6
81.07045	24.1
83.04946	1.0
83.08613	2.3
85.06516	0.7
91.05470	9.5
93.07031	18.0
95.04957	1.7
95.08592	18.8
97.06500	1.3
97.10153	1.5
98.06059	1.4
98.98455	8.5
99.08006	0.9
105.03380	3.8
105.07014	8.5
107.08580	9.6
109.06454	0.7
109.10150	7.3
111.08051	0.9
113.13792	0.6
117.07019	2.0
119.08557	5.2
121.02851	1.0
121.10123	7.4
123.08041	0.9
123.11683	1.6
124.01617	2.1
131.08569	3.1
132.53139	0.7
133.10152	3.5
135.11681	3.8
137.13303	0.8
142.02635	1.9
145.10100	2.2
147.11702	1.5
149.13257	3.1
153.38155	0.6
155.01019	3.0
159.11697	1.8
161.13248	1.9
164.46584	0.7
173.02063	2.6
173.13271	1.1
187.14925	1.1
193.31544	0.9
198.05264	2.0
216.06287	3.3
219.06047	0.6
243.21146	1.8
253.35159	0.6
261.22058	6.9
261.24414	0.8
304.26321	18.9
317.24832	1.6
335.25760	100.0
336.26071	3.1
390.12619	0.5
415.22202	1.8
424.27228	0.6
430.94019	0.6
435.00641	0.7
439.59784	0.7
458.26630	8.3
476.27560	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	476.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
55.05504	4.0
55.95638	0.7
56.05025	29.4
57.07062	16.0
67.05482	7.6
68.05004	3.7
69.07063	5.1
70.02941	3.6
70.06578	1.5
70.38838	2.2
71.08613	18.4
79.05481	1.8
79.99179	0.7
80.04996	1.7
81.07035	17.1
83.08587	1.8
84.04495	7.1
84.08130	0.9
85.10165	11.4
90.76336	0.8
91.05468	0.8
93.07053	1.1
94.06572	2.1
95.04982	1.1
95.08590	18.3
96.04478	1.9
98.06083	1.0
101.05375	0.8
105.07047	0.9
109.00315	0.8
109.10149	0.9
112.07578	3.2
137.13280	2.9
137.63545	0.9
155.14279	31.6
165.07054	2.1
166.07796	3.4
178.07684	1.0
179.08574	1.3
192.17473	4.7
194.07173	3.9
207.08038	0.8
208.08812	1.5
210.18477	46.4
217.06538	1.0
218.07329	1.8
219.08035	3.7
221.05995	1.5
221.09628	1.5
222.06738	1.6
233.05949	1.6
233.09602	1.0
234.10362	6.0
235.07472	6.3
236.08388	1.6
238.17966	8.1
239.18388	1.2
248.08368	5.4
249.05495	2.4
249.08990	0.9
250.09839	6.0
251.06963	2.0
251.10701	3.4
258.09119	1.4
261.09070	1.1
264.07834	1.1
265.08704	15.6
265.12173	100.0
266.12585	3.4
272.10971	0.8
273.11545	2.1
274.08575	1.0
277.08987	1.0
278.11731	1.1
279.10031	1.7
285.07843	1.3
291.04910	0.8
300.10120	1.1
304.13425	2.2
306.11337	2.9
307.11444	1.5
308.12012	3.4
309.13077	1.4
314.11758	1.0
322.14297	14.8
419.25754	24.5
458.26947	1.9
476.27960	62.8
476.35233	2.4
477.28568	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
53.03929	1.5
55.05499	6.4
57.03425	5.5
57.07067	3.7
65.03921	1.3
67.05491	26.1
69.07058	7.0
69.58980	3.1
69.59407	2.3
71.08610	2.8
75.52585	0.5
77.03922	0.6
79.05480	16.1
81.07042	22.7
83.04963	1.2
83.08611	3.5
85.10152	2.0
91.05467	5.8
93.07021	13.1
95.04955	3.2
95.08591	18.9
97.06477	0.9
97.10135	1.1
98.98457	0.7
99.15319	0.6
99.46976	0.5
103.05454	3.1
105.03447	0.7
105.07011	79.8
106.07330	1.7
107.08569	6.0
109.06469	0.7
109.10136	5.7
117.07011	1.1
119.08551	2.2
121.10128	3.4
122.09666	0.7
123.11613	1.3
131.08540	1.8
132.08078	2.2
133.10085	1.7
134.09532	0.8
135.11705	2.0
138.01823	0.7
145.10123	1.2
147.11664	1.0
149.13242	1.4
155.14268	0.8
173.13361	1.0
184.07516	0.5
186.09099	0.8
188.10730	1.4
198.09233	0.9
200.10616	0.6
214.08633	2.8
214.12268	4.2
216.06226	0.6
216.10277	0.8
222.55307	0.6
224.10674	1.1
242.08025	2.0
242.11731	14.6
260.12790	1.4
270.11652	0.6
304.26331	2.0
306.13486	0.8
332.11267	0.5
335.25745	100.0
336.26077	6.0
358.23737	0.7
368.22119	34.9
369.22519	2.5
378.24344	1.1
396.20331	1.1
396.25290	14.5
396.30481	0.9
414.26306	4.1
430.25879	1.2
440.24097	0.7
458.25272	6.0
459.25299	0.7
476.26331	28.3
477.26694	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	476.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
52.32763	0.2
52.93229	0.2
53.03926	0.8
55.01858	0.9
55.05497	2.5
57.03428	1.3
57.06824	0.3
57.07069	3.9
57.37444	0.2
65.03934	0.4
65.48405	0.2
67.05494	8.7
69.07053	3.6
70.18723	1.3
71.04935	0.2
71.08618	5.5
77.03885	0.3
79.05477	9.0
80.05016	0.3
81.03404	0.4
81.07041	8.8
83.04964	0.4
83.08608	1.0
83.74001	0.2
85.10175	2.2
85.73240	0.2
91.05464	2.3
93.07040	3.2
94.06520	0.4
95.04951	2.6
95.08594	8.9
97.06517	0.3
97.10118	0.3
98.06067	0.3
103.05444	4.3
105.03391	0.7
105.07012	100.0
106.07339	0.7
107.04993	0.4
107.08569	2.2
109.06503	0.3
109.10156	1.5
110.02399	0.6
110.05997	0.5
117.07035	0.3
119.08562	0.8
121.10130	1.1
122.06036	0.3
122.09635	0.3
123.11661	0.3
129.06976	0.3
130.06532	0.5
131.08574	0.4
132.08072	4.3
133.10159	0.5
135.11678	0.6
137.13229	0.2
138.01825	0.8
138.05499	0.3
145.10109	0.4
148.07536	0.3
150.09195	0.3
153.12723	0.6
155.14284	0.7
156.38437	0.2
174.09146	0.7
175.14772	0.3
184.11223	0.3
185.08406	0.3
186.09052	2.0
186.12764	0.6
188.10687	1.9
196.11182	0.3
198.09116	1.0
200.10655	0.6
212.10760	0.6
214.08656	4.8
214.12213	4.7
216.10201	0.8
224.10678	1.3
228.10065	0.4
230.11809	0.6
242.08157	2.7
242.11711	19.0
243.11972	0.3
254.11786	0.3
260.12769	1.4
261.22159	0.3
264.15982	0.6
270.11267	0.4
304.11771	0.3
304.26175	1.3
306.13324	0.9
312.23141	0.5
332.11282	0.5
335.25754	20.1
336.26251	0.4
340.22888	1.3
340.26508	0.5
342.24188	0.6
354.24265	0.3
358.23782	1.1
368.22131	45.2
369.22571	1.1
370.23706	1.1
378.24152	1.5
384.25366	0.5
386.23117	0.3
396.25281	16.0
397.25583	0.5
414.26349	5.2
430.25781	0.8
440.24396	1.1
458.25323	8.9
459.25540	0.3
476.26373	33.0
477.26678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
54.68842	0.4
55.01851	1.2
55.05492	1.9
57.07066	6.9
60.78289	0.4
67.05493	6.6
68.01754	0.5
69.07055	1.8
69.56745	1.1
69.57148	4.2
71.08620	8.0
79.05482	9.2
81.03394	1.4
81.07041	6.8
82.07367	0.5
83.04963	1.3
83.08587	0.8
84.22861	0.5
85.10162	3.4
86.43054	0.5
91.05473	2.3
92.79996	0.5
93.03384	0.5
93.07041	1.9
94.06523	0.7
95.04961	2.9
95.08591	6.9
97.06521	0.8
97.10138	0.7
100.13925	0.5
100.65717	0.4
103.05447	5.0
103.41894	0.5
105.03405	2.7
105.07014	100.0
106.07347	1.2
107.04905	0.9
107.08583	1.2
109.02876	0.5
109.10156	0.7
116.37684	0.5
119.08596	0.6
121.02847	2.1
122.05992	0.7
124.35690	0.5
129.06973	0.7
131.04927	1.3
132.08067	11.4
135.11687	0.6
143.08536	0.6
144.54347	0.6
145.06519	0.8
155.14258	1.9
156.53136	0.4
160.11162	0.7
163.11040	0.5
179.08577	1.0
184.07530	1.0
186.09203	1.9
186.12787	0.8
188.10666	2.0
193.25798	0.5
196.11153	1.1
198.09096	2.5
212.10617	1.0
214.08633	6.0
214.12201	6.3
224.10672	7.1
226.08614	5.7
228.10155	0.7
238.08517	1.2
239.09105	0.6
240.10147	1.6
242.07869	1.4
242.11728	34.1
250.08670	0.7
252.10153	3.7
268.09833	0.9
274.17722	0.5
279.87262	0.5
286.10736	3.6
304.11731	3.3
304.96869	0.5
340.22589	1.4
342.24170	2.8
350.20908	0.6
352.22760	3.0
354.24329	0.7
368.22104	22.1
368.25574	1.5
369.22635	0.6
378.24219	10.8
384.22623	1.5
386.23245	12.1
396.25278	8.8
402.23737	0.8
440.24274	35.4
441.24417	1.0
458.25400	6.0
476.26334	8.8
477.28305	1.1
489.92831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.8
53.03948	7.0
55.05499	11.1
57.03418	2.0
65.03959	1.6
67.05492	4.6
69.03432	7.8
69.07047	6.0
71.04966	4.5
71.47762	2.6
71.48140	2.6
71.76565	1.1
79.05477	47.1
81.03385	6.6
81.07038	4.6
83.08582	1.5
85.02890	48.0
91.05462	25.3
93.07029	100.0
94.79295	1.4
95.04960	10.2
95.08575	2.7
97.02876	13.0
97.10141	1.6
99.04447	18.3
103.03232	3.1
103.03925	61.8
105.06999	7.0
107.04945	1.6
107.08575	87.6
109.02856	8.9
109.06503	3.1
119.06053	1.8
119.08537	2.8
121.02815	2.0
127.03894	66.7
128.63101	1.7
133.10091	2.2
135.11670	82.1
145.04927	45.1
148.82765	1.5
163.05995	70.0
193.12016	1.3
205.07138	3.5
271.08023	7.4
289.09143	9.1
307.06976	2.1
307.10190	24.2
476.27008	4.4
477.28122	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	1.7
67.05502	1.0
67.06329	0.6
69.24221	0.5
71.08623	0.9
72.04499	0.6
81.07033	1.0
85.10143	0.9
95.08604	1.0
119.08633	0.6
124.78703	0.5
136.51958	0.5
144.26677	0.6
197.67737	0.5
220.16716	0.6
232.07494	0.6
235.06177	1.4
236.07167	0.6
246.50150	0.7
248.07127	1.8
250.08553	3.2
260.07050	1.3
261.07855	2.0
262.08484	1.1
263.05783	6.0
263.09430	0.9
264.06534	2.2
274.08554	1.2
277.07343	1.5
278.08087	22.9
279.08719	1.6
286.08762	0.6
288.06546	3.8
288.09430	0.7
289.07260	2.6
290.08102	1.3
291.08786	0.6
292.09509	1.4
298.08508	0.6
301.07227	1.1
302.08032	4.5
303.08801	2.8
304.09540	3.3
306.07501	4.8
307.08325	12.4
315.08960	0.6
316.06183	1.2
316.09668	3.2
318.10947	0.9
322.10699	14.5
327.09052	0.7
330.07501	5.1
331.08224	0.8
340.09827	1.0
344.09225	2.1
345.09808	1.2
414.20581	7.4
415.21304	1.7
430.23700	1.4
433.22449	0.9
442.20038	12.6
443.20865	26.5
444.21133	1.3
448.24844	2.0
458.23224	15.2
459.23685	1.0
460.20920	0.6
461.22064	2.7
476.24265	100.0
477.24405	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	476.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
54.52185	1.0
55.01861	2.2
55.05504	7.6
61.02919	1.4
65.03925	2.8
67.05178	1.3
67.05484	8.6
68.05830	1.2
69.03426	10.0
69.07060	4.0
69.56987	12.1
71.04963	3.3
73.02905	2.4
77.03905	1.2
79.05479	16.5
80.05796	1.7
81.03407	12.7
81.07059	6.6
83.04974	1.9
83.08587	2.9
85.02891	44.3
91.05459	28.3
92.05804	1.4
93.07028	94.2
95.04946	12.7
95.08598	2.4
97.02874	15.0
97.10152	1.7
99.04435	25.9
103.03930	59.0
105.07013	10.3
106.56599	1.2
107.04921	3.0
107.08574	100.0
109.02849	11.7
109.06475	4.5
109.10110	1.6
117.07025	1.4
119.08556	3.9
120.70444	1.4
121.06482	2.4
121.10140	2.5
125.09600	1.7
127.03892	62.9
129.06978	1.8
131.08582	2.2
133.06453	1.3
133.10129	2.1
135.11670	36.4
145.04936	44.5
145.10094	2.4
147.08020	1.6
148.40553	1.3
152.06277	1.2
153.12761	1.2
159.11737	1.6
161.05948	2.8
162.06264	1.6
163.05994	36.3
163.07301	2.4
173.09590	1.4
175.11139	1.6
177.12828	1.4
187.05966	4.6
193.12274	1.5
205.07117	4.1
213.12669	1.2
225.12775	1.4
226.60683	1.5
243.13849	1.7
261.14746	1.8
271.08124	6.5
272.13693	1.5
281.40372	1.4
289.09045	3.2
290.14731	2.2
307.10132	8.9
366.21344	1.3
384.22385	11.5
402.23541	5.3
458.26218	11.6
459.27295	1.4
476.27112	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02160	0.3
70.27798	0.3
70.58187	0.3
70.58524	1.2
79.05474	3.0
88.75677	0.3
92.23521	0.3
95.04935	0.8
98.21381	0.3
103.05433	2.3
105.07014	100.0
106.07339	1.7
122.09647	54.4
123.09975	0.8
163.03885	1.0
177.44810	0.3
178.36182	0.3
291.58237	0.3
314.13705	0.7
476.18549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.7
53.03924	1.0
55.01856	0.7
55.05500	7.9
57.03424	0.7
57.06790	1.2
57.07064	24.3
67.05492	15.5
69.03413	0.7
69.07055	5.9
70.22948	2.8
71.01319	0.8
71.04988	1.0
71.08615	31.1
79.05474	8.1
81.03391	1.1
81.07041	41.2
82.07371	0.9
83.04972	4.3
83.08592	2.7
85.06501	1.2
85.10168	15.3
91.05473	8.1
93.07018	7.4
95.04958	3.9
95.08588	27.6
97.10138	0.8
103.05431	0.9
105.07017	8.3
107.04931	3.6
107.08586	5.0
109.02848	1.0
109.06502	1.5
109.10139	3.1
111.08065	0.7
117.07006	3.0
119.04887	1.2
119.08560	6.0
121.06487	2.5
121.10109	2.6
123.04417	0.9
123.08038	3.8
125.09589	0.7
128.06145	1.2
129.06973	1.5
130.07707	0.6
131.04883	0.8
131.08530	5.2
133.06447	2.8
133.10117	3.9
135.04376	1.3
135.08046	4.8
137.09569	1.8
137.13229	3.4
143.08560	2.0
145.06493	1.1
145.10063	3.2
147.04355	1.4
147.08022	1.8
147.11728	1.6
149.09586	11.8
151.07544	0.9
155.14268	13.6
155.15469	1.1
157.06439	0.9
157.10117	1.6
159.08020	1.8
159.11635	1.3
161.09608	3.1
165.09132	3.4
173.09639	1.8
175.14781	0.8
177.09091	0.7
179.07988	0.9
185.13191	1.0
197.15375	2.2
199.16795	0.9
205.06416	1.6
206.06982	1.9
207.07674	1.2
220.52187	0.6
223.16812	2.3
234.06726	3.5
235.07056	3.9
235.16853	1.1
238.17987	2.1
241.19473	1.2
245.18889	1.2
249.07782	1.1
249.18483	1.4
249.22079	16.4
250.08122	2.0
251.04477	0.8
259.20490	5.1
261.18405	2.3
263.06506	0.9
273.18420	1.1
275.23596	7.0
277.08295	5.5
277.21579	100.0
278.08673	9.3
278.21951	1.6
285.22076	7.4
292.09647	4.7
293.09991	8.3
293.24683	1.3
302.11719	0.8
303.12009	2.0
303.23129	45.7
304.23450	0.8
305.09982	1.1
320.09161	7.4
320.12531	1.1
321.09445	13.3
321.13025	1.1
321.24207	5.2
322.09671	1.2
334.11349	0.7
343.08304	0.8
387.36316	1.5
389.30475	1.9
399.32465	0.9
429.37106	5.1
439.35901	3.5
457.36688	24.2
475.26587	5.5
475.34921	1.9
476.37021	0.8
485.33643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2682
Annotation	(+)-Lucidenic acid B
Peak:m/z	Relative Intensity
53.03930	2.7
55.01855	5.4
55.05499	17.9
55.92808	1.0
57.03418	4.2
58.32564	1.1
59.04989	1.1
65.03921	2.1
66.20956	0.9
67.05494	22.1
69.03419	2.1
69.07053	5.1
71.04975	2.0
76.10247	1.0
79.05476	20.9
81.03393	8.7
81.07043	17.2
81.07519	1.2
81.88789	0.9
83.04967	3.4
83.08594	8.3
91.05466	14.0
93.07025	12.2
95.04933	9.7
95.08596	9.6
97.06518	1.1
97.10153	13.7
105.06999	11.0
107.04938	8.6
107.08558	8.4
109.02848	5.4
109.06518	2.4
109.10139	9.5
111.04420	1.9
111.08077	1.1
115.05429	1.2
117.07021	7.0
119.04945	2.9
119.08542	6.8
121.06480	6.5
121.10119	3.0
123.04406	3.4
123.08052	2.8
125.02341	2.9
125.09599	7.6
128.06210	1.4
129.06966	9.3
131.04890	3.8
131.08554	7.3
133.06447	6.6
133.10156	2.7
135.04366	1.8
135.08046	2.8
135.11713	2.4
137.05988	1.8
137.09660	1.2
141.07007	2.4
142.07744	0.9
143.08546	5.0
145.06450	8.8
145.10112	8.8
147.04379	4.9
147.08047	4.4
147.11671	2.0
149.05937	2.5
149.09612	2.4
153.09001	1.4
155.08540	4.1
157.06493	2.8
157.10088	3.8
159.08037	6.0
159.11659	1.3
160.05188	2.8
161.05951	20.0
161.09616	3.1
163.07462	1.4
163.11137	6.0
167.08505	1.7
169.06451	1.9
169.10098	3.4
171.08072	4.2
171.11633	2.1
173.05936	3.1
173.09531	5.8
173.11815	1.0
173.13182	1.4
175.07544	3.1
175.11150	2.2
179.08524	1.3
181.10243	1.5
183.08075	2.5
183.11725	2.0
185.05986	1.4
185.09645	2.8
185.13272	1.9
187.07535	3.9
189.09229	1.9
189.11221	4.4
189.12744	1.5
191.10638	1.3
193.10229	2.0
193.12213	4.3
195.11670	1.8
197.09572	2.2
197.13280	1.7
199.11159	1.4
201.09056	1.7
201.12758	2.0
203.14236	1.1
205.12291	1.6
207.11641	1.1
209.09639	1.7
211.11226	3.2
211.77316	1.0
213.09120	1.7
213.12584	1.9
223.11177	1.5
225.12831	2.3
229.12199	2.5
231.13840	5.1
235.11238	1.5
237.11153	2.1
241.15941	1.0
243.13867	3.1
253.12083	1.1
257.15436	1.6
258.66479	1.0
269.15366	4.7
271.13242	5.5
273.14871	5.2
285.14859	2.2
287.16400	1.9
289.14307	12.2
303.15704	2.6
319.20435	1.4
327.23050	1.1
337.21585	1.5
347.20193	1.7
355.22678	6.7
365.21094	9.0
383.22101	54.5
384.22287	1.8
393.24203	1.6
401.23199	24.3
401.28207	1.7
402.23297	2.2
403.22562	2.3
419.24222	3.4
421.23691	3.3
431.24042	5.8
439.24854	5.8
457.25775	53.1
458.26028	2.0
475.26852	100.0
476.27136	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	474.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	1.9
55.19073	0.6
57.07058	1.6
67.05457	1.7
69.07051	1.1
71.08588	2.5
71.82279	0.9
79.05458	0.7
81.07006	3.1
83.08604	0.8
85.10151	1.5
95.08554	2.3
103.05421	1.2
105.06991	2.0
120.08071	3.0
132.08023	1.1
178.07750	14.3
179.08565	0.8
199.56566	0.7
205.06468	11.7
206.07266	10.1
208.17020	0.8
221.05968	0.7
233.05995	1.8
234.06732	31.0
235.07236	1.5
249.09105	3.7
250.24060	0.7
252.66318	0.7
256.07367	0.8
258.22043	4.5
261.05359	3.9
262.06134	6.9
262.08542	0.8
265.08533	1.1
271.09955	2.8
276.10211	1.2
277.08575	100.0
278.08911	2.5
286.08575	2.3
287.09283	1.3
292.09521	1.1
300.10522	0.9
302.11746	10.2
303.10046	1.3
304.09705	6.7
304.22690	8.8
305.10385	1.1
314.07996	1.7
319.12030	0.9
320.09338	1.0
320.12753	13.0
328.09726	0.8
330.11121	1.9
432.98590	0.8
440.21881	1.1
443.02908	0.7
456.25345	4.5
457.23627	0.8
474.26392	31.1
474.39523	2.8
475.20584	0.7
475.26721	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	0.8
55.05498	1.3
57.07017	0.9
58.38362	0.2
59.04980	0.4
63.63191	0.2
67.05457	0.5
69.07050	4.0
71.08578	0.5
73.02908	2.5
73.06543	1.9
81.07014	0.4
87.04402	0.2
91.05472	0.3
93.05750	0.9
93.06982	0.3
94.06506	0.4
97.06472	0.7
98.21449	0.5
105.06962	0.3
106.06523	1.3
107.07262	0.7
108.04405	0.3
118.06487	0.4
119.08540	0.2
120.04414	0.3
120.08092	1.2
121.08836	0.4
122.05988	1.8
125.04691	0.4
131.07269	0.2
131.08482	0.2
133.95314	0.2
134.09599	0.3
135.06779	2.8
136.07526	0.4
148.07538	1.7
149.08272	0.6
155.53102	0.2
162.09119	0.4
166.89333	0.2
176.14359	0.4
204.13846	0.2
206.18971	1.5
218.19038	1.7
220.20529	0.3
232.16978	0.2
232.20557	1.3
234.18434	1.7
238.18015	0.3
244.20543	0.7
248.20047	11.5
249.20599	0.3
260.20007	2.2
262.21585	0.4
272.23779	0.2
275.27466	0.2
276.23227	0.4
288.23193	0.3
342.31494	1.2
358.31113	0.3
360.32538	51.8
361.32919	1.7
388.35709	0.6
474.39359	100.0
475.39987	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	474.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39040	0.8
53.88650	0.7
55.05494	2.5
57.07066	19.1
67.05497	4.9
67.05785	0.8
67.30648	0.8
69.07053	1.6
69.60072	8.1
69.66000	0.8
71.08614	7.7
73.53656	0.7
75.12484	0.8
81.07047	5.3
83.08589	1.9
85.10136	2.4
90.37725	0.8
91.05485	1.0
95.08600	6.9
109.10141	2.3
193.08871	0.9
200.12439	0.9
221.08310	3.1
249.07796	22.0
249.10239	1.6
250.06223	1.6
264.10284	1.0
276.06738	1.1
277.07288	82.6
278.07782	2.7
286.08667	2.5
292.09622	91.1
293.09888	1.6
302.08127	0.9
314.08099	8.3
320.09250	1.3
362.18280	1.0
456.25366	0.9
474.26318	100.0
475.26685	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.1
55.05504	11.1
56.05030	9.4
57.03429	2.7
57.07070	22.6
65.03929	1.7
65.76426	1.3
67.05497	14.7
68.05013	4.0
69.07059	14.6
70.81384	1.4
70.84464	2.4
70.84861	3.7
71.08622	26.8
74.06062	5.7
79.05495	7.8
80.05001	3.3
81.03410	7.0
81.07047	19.9
81.18690	1.3
83.04952	1.5
83.08617	3.9
84.04507	11.2
85.02886	1.7
85.06499	1.4
85.10165	12.7
86.06055	2.6
87.71201	1.3
91.05461	3.9
93.03397	1.8
93.07045	7.6
94.02917	3.1
94.96114	1.2
95.04955	4.8
95.08595	23.5
96.04472	5.6
97.06519	1.8
97.10144	3.8
102.05534	14.4
105.07063	6.4
106.06534	2.3
107.04944	2.1
107.08566	4.8
108.04454	1.5
109.02850	1.5
109.10148	3.9
110.06029	3.7
117.06978	2.1
119.08569	2.1
120.04452	2.6
120.06596	2.3
120.08109	3.1
121.06505	3.9
121.10128	2.3
122.06027	6.7
123.04391	1.8
124.03909	2.2
125.02252	1.3
129.06970	2.9
130.04990	49.7
131.08554	1.7
133.06432	2.7
134.06030	3.2
135.11661	2.7
136.03914	1.6
137.13254	1.4
138.01831	1.4
138.05469	9.2
138.09052	2.0
139.03876	1.8
140.07027	2.2
142.04951	2.9
143.08575	2.0
145.06459	2.4
145.10092	1.6
146.05934	1.8
147.08037	2.0
148.03905	6.2
148.07545	4.8
149.09534	1.9
150.05495	6.1
152.07062	2.2
153.12717	3.6
155.14287	5.1
156.06538	1.7
157.89571	1.3
160.07512	1.9
161.05951	2.6
162.05472	1.9
164.03427	3.2
166.04979	37.1
166.08598	3.5
168.06503	4.2
173.09642	1.6
174.05524	1.7
176.03423	3.4
176.07086	8.2
178.04997	4.7
180.06577	1.7
182.04515	4.0
184.06017	2.4
186.07599	3.7
188.03448	1.8
188.07043	1.7
192.02968	1.3
194.04483	6.1
194.08105	10.8
196.06073	2.9
204.06560	2.6
212.05574	3.8
212.09142	1.5
222.07611	8.9
227.12718	1.7
228.05040	5.1
236.05553	2.1
238.07114	2.3
240.08664	17.5
248.16483	2.5
256.08188	3.8
258.09741	5.2
273.14783	1.7
274.18036	4.5
276.16058	1.8
284.07657	2.0
292.15729	1.6
292.19028	3.5
302.08682	12.1
302.17435	7.3
304.10120	1.9
312.07126	2.7
318.52899	1.5
320.18542	19.7
327.17990	4.0
330.08206	4.7
330.16946	4.0
338.19763	2.8
348.17972	9.8
348.21805	2.1
350.19751	1.6
356.20737	3.3
364.17395	1.6
365.21127	1.6
366.19061	55.3
367.19412	1.5
368.20712	2.1
376.21228	4.8
382.18695	1.7
383.22256	6.6
384.20114	4.6
394.22281	31.7
396.19986	2.8
401.23169	2.6
410.21652	3.2
412.23846	7.7
428.22644	10.0
438.21194	5.1
449.57178	1.6
456.22266	53.0
457.25693	5.3
474.23303	100.0
475.27173	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	474.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.2
53.36019	0.2
55.05500	0.2
57.07067	3.7
63.77739	0.2
67.05503	1.8
68.23371	0.2
69.07033	0.4
69.47822	2.4
71.08236	0.3
71.08617	4.7
75.32097	0.2
79.05453	0.3
81.07043	3.1
83.08587	0.2
85.10183	2.2
95.08591	3.1
98.20626	0.5
109.34228	0.2
141.34607	0.2
155.14294	1.6
193.08795	1.3
204.08037	0.3
220.07451	0.4
221.08270	2.0
248.07031	0.3
249.07814	19.1
250.08331	0.9
264.10208	0.5
273.07870	0.2
276.06467	0.7
277.07297	74.1
278.07672	2.4
286.08691	0.5
288.06461	0.4
292.09628	53.5
293.09912	2.3
300.06381	0.2
301.07352	0.5
305.06805	0.4
314.07996	2.2
315.08768	0.3
320.09119	100.0
321.09488	4.5
342.07547	3.6
357.10083	0.4
446.23199	0.8
456.21759	1.7
474.22693	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	472.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
56.05016	0.3
57.07064	8.8
58.06553	1.0
67.05464	0.5
70.06579	14.0
70.84363	0.8
71.08617	5.0
72.08090	0.3
73.02899	1.5
81.07007	1.1
85.09736	0.2
85.10152	2.2
88.07613	20.0
95.08601	1.2
102.08502	0.6
102.09161	10.1
106.08643	6.1
134.08162	0.3
137.13145	0.3
155.14259	1.7
199.16908	0.5
200.78221	0.2
212.23724	0.6
230.24785	1.4
252.02223	0.3
256.26309	57.4
257.26620	2.2
274.27350	100.0
275.27722	3.7
302.26852	8.5
303.27292	0.3
325.70145	0.3
454.42511	6.9
472.43549	14.4
473.43826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2528
Annotation	Akiferidinin
Peak:m/z	Relative Intensity
53.03933	4.8
55.01857	8.7
55.05499	14.9
57.03402	3.9
57.07053	3.5
57.72674	2.3
67.05499	21.4
69.03421	3.0
69.07053	7.8
70.06555	2.9
71.08625	4.5
71.28705	4.9
79.05484	22.1
81.03410	14.6
81.07046	16.7
83.04986	4.5
83.08610	5.4
84.08092	3.3
91.05450	15.1
93.07024	12.6
95.04964	10.5
95.08602	17.3
97.10166	8.1
98.22650	2.6
99.08083	2.7
105.03424	3.5
105.06995	14.6
107.04929	18.6
107.08582	10.4
109.02864	4.3
109.06467	3.9
109.10152	6.3
117.07009	7.8
119.04929	3.0
119.08578	9.1
121.02824	3.3
121.06501	8.4
123.04415	3.6
123.08063	8.0
125.02337	8.7
125.09582	8.9
129.06992	8.7
131.04872	4.3
131.08482	6.1
133.06528	6.4
133.10121	5.5
135.08052	2.6
135.11681	3.6
141.07016	4.2
142.07735	3.2
143.08569	5.8
145.06447	12.8
145.10094	6.2
147.04419	4.1
147.08025	8.0
155.08440	3.7
157.10100	3.8
159.08078	5.3
160.05266	4.4
161.05945	10.5
161.09598	6.9
163.11194	8.1
165.07036	2.7
167.08540	4.6
169.06398	4.5
171.08000	2.8
173.06006	3.6
173.09581	4.6
185.06000	4.3
185.09547	2.9
189.09106	30.3
189.11038	5.0
191.10765	3.5
209.09511	2.6
211.11122	4.1
227.10866	3.1
237.11230	4.9
245.11668	2.7
247.13181	4.4
289.14392	12.8
353.21054	7.7
363.19455	8.8
381.20529	41.7
393.14587	2.5
399.21671	8.3
417.22556	4.7
437.23712	2.9
455.24338	23.8
473.19598	9.7
473.25327	100.0
473.31961	4.7
474.25668	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	472.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84897	1.1
51.25645	1.1
55.01859	5.3
55.05503	15.3
55.66735	1.2
57.07066	16.9
67.05494	8.9
69.07056	13.6
70.06573	2.4
70.52834	3.6
71.08616	20.2
71.33655	1.2
72.08141	14.3
77.13259	1.1
79.05475	4.1
81.07045	13.5
82.06570	2.2
83.04971	1.8
83.08613	3.6
84.08136	3.6
85.10170	11.5
85.49181	1.2
93.05721	1.1
93.07024	3.6
94.06529	2.4
95.04950	2.5
95.08585	15.5
96.04465	2.1
96.08121	1.7
97.06517	1.7
105.07024	1.3
107.08562	2.1
108.08084	2.5
109.10150	1.9
110.02373	4.1
110.06022	1.6
110.09660	1.5
115.36854	1.2
118.08660	1.7
121.06539	2.8
122.02434	1.4
122.06026	2.8
122.09581	1.4
123.04390	3.2
124.07562	2.9
134.06012	2.6
135.11606	1.3
136.03918	1.3
136.07547	4.9
136.11186	2.5
137.05902	1.2
138.01875	6.4
138.09111	5.6
139.03972	1.5
148.07539	1.7
150.05528	1.6
150.09120	2.2
153.12737	3.4
154.08636	2.4
155.14293	3.3
162.05487	1.3
164.07013	15.5
164.10724	7.4
166.08635	3.4
170.08095	2.1
171.32825	1.2
176.07150	1.6
178.08710	1.8
180.10179	1.7
184.09673	4.7
192.06499	11.0
192.10158	28.7
206.08168	1.7
208.09544	2.0
210.07623	2.0
210.11220	2.9
220.09622	7.0
220.16859	1.5
224.08971	1.4
227.87653	1.2
234.07533	1.3
236.09155	2.5
238.10721	18.0
246.07431	1.3
248.09097	1.5
254.06621	2.5
254.10257	5.1
256.11786	18.1
262.21652	2.5
264.08719	1.7
264.15692	1.6
272.11292	3.4
274.17834	1.5
283.14832	1.1
300.11002	1.8
302.12344	5.7
308.22455	1.4
310.09033	3.6
318.20609	82.7
318.23743	3.0
319.21021	2.8
328.10199	5.2
334.20004	1.4
336.21521	1.8
354.22711	4.2
362.23169	1.6
364.21118	46.6
366.22659	3.3
374.23215	4.1
392.24243	34.3
393.24802	1.4
394.22144	1.5
405.02054	1.3
408.23859	7.9
410.25400	7.9
418.22287	3.3
426.24850	11.0
436.23273	6.8
454.24338	55.5
455.24536	2.0
472.25375	100.0
473.25659	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	471.2007
Annotation	Tomentodiplacol
Peak:m/z	Relative Intensity
55.05491	1.8
57.07054	2.1
57.89759	0.7
67.05481	2.0
68.99770	1.4
69.03414	0.7
69.07042	3.0
70.10635	2.2
70.11066	2.1
71.08606	1.9
81.07035	2.8
85.10150	1.4
95.04965	1.0
95.08607	1.7
102.22369	0.7
109.10162	0.7
111.00777	1.0
117.06974	0.8
129.06842	0.7
139.03922	0.8
147.04291	1.6
153.01807	15.1
154.33684	0.7
161.05948	0.9
163.03812	0.7
164.81760	0.7
175.03850	1.7
187.03876	2.0
189.05472	0.8
193.04912	1.0
197.05954	0.8
201.05440	1.0
203.03316	5.0
205.82001	0.7
213.05478	1.3
215.59410	0.7
224.04913	0.8
229.05013	1.3
242.05727	3.0
252.04163	2.1
253.04938	3.1
269.04465	3.3
270.05209	1.4
271.05859	0.9
280.03659	1.3
281.04538	3.9
285.03882	1.5
295.05933	1.7
297.04092	3.4
297.14865	1.3
298.04678	33.0
299.05484	19.3
309.22424	1.3
311.05353	1.4
313.03412	9.8
313.06866	1.4
315.04993	4.5
323.05408	2.5
327.05014	2.9
341.06705	1.2
435.17844	1.1
453.19025	100.0
454.19257	3.0
471.13147	1.0
471.19675	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	470.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	0.2
64.95296	0.2
67.32930	0.2
69.03441	0.3
69.07048	0.2
71.10320	0.3
71.10693	0.3
76.12903	0.2
81.03405	0.2
85.02905	0.8
93.54675	0.2
95.04982	0.2
97.02899	0.3
97.06555	0.8
163.03847	0.9
167.64211	0.2
175.04123	0.2
215.07161	0.3
216.07347	0.3
235.06168	0.8
236.07024	0.9
237.07898	0.3
247.06268	0.6
248.07068	0.3
252.06665	0.5
259.09656	0.4
260.09924	0.9
261.11218	0.9
263.05801	0.5
264.06512	13.4
265.07138	1.3
275.05618	0.3
276.06476	2.4
278.04514	0.2
278.10953	0.5
279.05179	1.3
291.05142	0.4
292.01193	0.2
292.05997	13.0
293.06763	23.6
294.07162	0.6
308.09100	100.0
309.09436	2.7
374.36853	0.2
470.22937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2214
Annotation	Terreulactone C
Peak:m/z	Relative Intensity
53.03915	0.8
53.76113	0.5
55.01872	0.9
55.05507	3.3
57.07054	2.5
63.87697	0.5
65.03917	1.9
67.05495	5.0
68.99773	1.9
69.03400	0.6
69.07058	7.3
69.95259	3.5
70.06586	0.7
71.08609	1.8
79.05470	2.4
81.03423	0.6
81.07040	4.9
83.04978	1.4
83.08613	1.4
85.10148	1.1
91.05467	1.8
91.27517	0.5
93.03401	1.2
93.07024	2.0
95.04950	1.9
95.08582	4.2
95.09990	0.5
97.02859	0.7
97.10116	0.7
105.07015	1.9
107.04911	1.2
107.08570	1.0
109.06496	0.8
109.10128	1.4
111.04417	3.7
115.05431	1.6
117.06944	1.3
119.08572	0.9
119.66535	0.5
121.02850	1.3
121.06486	9.8
121.10137	0.9
123.04373	0.8
127.03809	0.6
128.06157	1.3
129.06993	1.5
131.04900	4.0
131.08566	0.8
133.06468	1.8
135.04416	1.2
135.08046	1.0
137.05937	8.7
137.13199	0.8
139.03874	100.0
140.04231	1.0
143.08554	0.6
145.06410	3.8
147.04372	1.7
147.07994	3.3
149.05957	3.4
149.09619	0.6
151.03848	0.6
155.06113	0.6
157.06468	2.1
157.10139	0.6
158.07268	0.5
159.04364	1.2
159.08055	1.4
159.11652	0.7
160.05200	3.3
161.05954	19.3
161.09560	1.1
162.22755	0.6
163.03896	4.9
163.07536	0.9
167.03378	5.6
169.06444	0.6
171.04160	0.7
171.08020	1.1
173.05937	4.0
175.03891	6.0
175.07481	3.3
175.11206	0.8
177.05411	1.1
181.04785	0.6
184.05057	0.7
185.05986	2.1
185.09615	0.7
187.07463	1.6
187.11111	0.9
189.05397	6.8
189.09071	1.8
189.12688	1.2
197.05969	0.7
197.09656	0.8
199.07542	1.8
199.11261	1.7
201.05458	1.7
201.09082	3.1
203.06964	2.8
203.10670	1.5
213.09186	1.3
213.12640	0.7
215.10602	1.6
243.13942	0.6
245.19072	0.7
255.17398	2.0
273.18445	20.9
283.16946	2.1
285.18390	0.9
301.17908	39.0
302.18204	0.7
303.19492	3.4
313.18109	2.6
315.04865	0.9
315.15973	0.6
315.19473	1.0
325.17862	0.9
331.18970	25.6
332.19327	1.3
343.18997	13.3
347.48514	0.6
367.19000	0.9
442.00372	0.7
451.21228	3.2
469.22101	1.8
469.32800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3082
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05493	0.6
56.05031	0.9
57.03423	0.9
57.07068	3.1
58.06599	1.5
60.08154	15.8
65.85629	0.3
67.05490	1.1
68.31741	0.3
68.37209	0.4
69.07053	1.0
70.06587	0.4
70.89161	0.8
70.89497	0.4
71.07359	5.5
71.08623	2.5
79.63652	0.3
81.07027	1.3
83.04966	0.4
83.08591	0.6
84.08131	0.4
85.10159	1.3
86.09694	47.0
89.06036	0.4
91.05482	0.4
95.08553	1.8
98.98453	2.7
104.10728	100.0
105.03368	1.5
109.10166	0.6
113.21486	0.4
124.99988	24.8
143.01031	0.3
163.01576	0.9
184.07318	93.8
185.07787	0.5
227.33870	0.4
258.10974	1.2
285.24170	2.9
382.11813	0.4
391.22287	0.4
394.65350	0.4
404.89130	0.3
431.96756	0.4
450.29770	9.7
468.30820	39.8
469.31158	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3078
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
50.32727	1.4
55.05489	2.2
57.03416	3.4
57.06826	1.5
57.07069	19.4
57.82035	1.0
58.40091	1.3
60.31376	1.2
62.06079	24.3
67.05486	4.8
69.07053	4.1
70.50974	2.6
70.51355	2.5
71.08624	19.7
81.07040	6.8
83.08605	4.0
85.10172	10.2
89.06004	5.2
93.07042	1.5
95.08602	8.9
97.10130	1.9
98.98439	4.6
105.94040	1.2
109.10126	4.7
133.08537	2.9
155.01053	5.5
157.64774	1.1
165.12085	1.1
177.11246	1.6
198.05295	2.9
216.06332	3.5
283.17496	2.6
296.29379	12.6
314.27649	1.9
327.28888	100.0
328.20410	1.4
328.29471	1.4
407.25610	6.9
409.11139	1.2
416.91821	1.2
447.71396	1.3
450.29910	6.0
451.36462	1.5
468.31381	8.0
468.37738	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57606	1.1
55.05504	10.2
55.48375	1.2
57.03470	1.3
57.06783	1.9
57.07068	33.5
59.04984	3.6
62.31035	1.2
65.03933	2.1
67.05495	85.1
69.07051	7.9
71.04969	2.6
71.08625	24.7
71.79644	2.0
79.05460	3.9
81.07045	24.3
83.08613	12.3
85.10176	10.6
89.05988	3.0
91.05462	5.4
93.07018	3.5
95.04946	1.6
95.08594	26.2
97.10154	5.0
105.07030	1.6
107.08562	3.0
109.10140	66.3
111.08084	2.4
119.08539	5.9
123.11702	3.0
125.58233	1.4
133.08530	2.4
137.09624	1.4
137.13219	2.8
143.15483	1.3
155.10588	2.6
173.11707	22.1
206.49400	1.2
239.23672	6.7
304.05057	1.4
451.36569	1.5
467.37274	100.0
468.37668	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	468.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.05495	3.2
56.46192	1.0
57.03415	1.9
64.23031	1.1
65.03938	1.2
67.05495	5.7
69.03413	3.2
69.07061	7.0
70.05882	4.2
70.06565	2.5
71.01342	2.9
73.02937	1.5
79.05481	5.4
83.04948	7.2
85.02877	3.6
85.06528	1.3
86.09680	5.8
89.03901	1.7
91.05479	1.5
92.91267	1.2
93.07057	1.6
95.04951	11.2
97.06512	37.1
99.04505	1.3
100.96883	1.3
103.03930	2.1
104.10752	8.1
107.04921	1.4
109.02861	1.8
109.10077	1.6
111.04416	3.1
115.05434	2.7
117.03362	2.9
122.61534	1.2
123.04388	3.2
124.99992	2.7
127.03897	4.6
127.11188	2.4
129.05472	2.1
129.06970	3.4
135.04428	5.5
141.06963	3.8
142.07883	1.3
143.04904	1.7
143.08458	2.1
145.02856	2.4
145.04962	2.1
147.04337	1.7
147.06436	1.2
152.06244	2.9
157.05072	1.3
157.06447	3.9
157.10103	3.4
160.05185	8.5
161.02271	1.5
161.05951	26.8
163.03883	53.5
167.08510	9.0
169.06435	2.8
171.08029	2.1
173.02391	1.3
173.05928	9.0
174.06743	2.2
175.03903	5.1
175.07555	4.6
177.05452	2.9
184.05209	4.6
184.07300	10.3
185.05980	4.5
185.09595	5.4
187.07523	4.5
189.01761	1.4
189.05429	6.1
189.09084	26.5
193.07056	1.9
195.08018	13.5
197.05968	2.9
200.04646	1.6
201.05400	1.6
201.09035	3.9
202.06189	1.3
203.06978	3.5
203.10637	1.9
207.02866	3.0
209.04350	1.3
213.09074	23.1
215.07008	24.5
215.10526	2.5
217.08595	12.0
223.07536	2.5
226.06252	1.4
229.08609	1.5
231.10097	13.0
241.08574	14.5
259.09625	100.0
277.10703	10.2
279.31656	1.3
304.05417	2.5
305.05560	2.9
306.05786	4.0
433.14798	3.9
451.15701	2.0
468.22745	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	466.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79278	0.5
55.05497	2.5
57.07066	3.8
67.05491	6.7
69.07057	3.2
71.08622	2.3
71.82253	0.8
79.05470	1.3
81.07040	3.8
83.08600	1.3
85.02879	0.8
85.06516	0.8
85.10155	1.7
87.04437	0.5
89.05997	1.0
91.05485	1.3
93.07024	1.0
95.04945	1.9
95.08585	2.5
97.10194	0.8
105.07014	1.1
107.08578	0.6
109.02862	2.0
109.06496	0.7
109.10129	3.2
111.11724	0.5
118.31911	0.4
119.08547	0.6
121.06438	0.5
123.04401	2.0
135.60745	0.5
142.83873	0.5
173.11691	1.1
207.17419	2.2
235.17036	1.5
243.21101	0.5
249.18454	1.8
278.19885	0.4
304.05093	1.1
312.21609	1.0
347.27094	0.5
361.30948	100.0
362.31213	3.9
466.35831	4.1
467.37311	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1177
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.05498	2.0
57.03434	2.4
61.02921	12.7
68.00355	1.8
68.99769	2.2
69.03401	4.3
70.58447	7.0
73.02892	4.0
81.03426	2.5
85.02874	15.9
88.00816	1.8
91.03926	5.1
95.04944	5.1
96.77599	2.0
97.02845	6.5
111.04402	6.5
121.02834	6.9
123.04411	51.7
127.03917	4.6
129.07013	2.0
132.47206	1.9
133.02779	3.4
135.04396	4.0
137.02303	4.8
139.03876	3.9
149.02321	63.9
151.03856	3.7
153.01797	90.1
157.06467	4.3
161.02312	5.9
161.05919	2.3
163.03865	3.1
164.81076	1.9
165.01785	2.7
167.03429	11.5
175.07515	2.6
177.05450	2.3
177.08940	2.0
179.03358	4.0
185.06001	7.2
189.05351	2.4
191.03300	2.3
195.02843	18.7
201.09052	6.8
203.07043	3.5
206.04507	2.5
211.07458	3.2
213.05473	10.7
229.08623	2.3
231.06479	51.1
233.08002	5.6
241.04863	4.8
257.07883	2.9
259.05994	59.7
275.09113	13.8
287.05457	35.5
305.06503	100.0
306.06985	2.4
325.07123	2.4
371.07587	4.0
467.15384	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	466.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
56.02774	0.4
56.05015	0.6
57.07065	11.8
58.38255	0.3
65.65969	0.4
67.05486	2.9
67.41122	0.3
68.05003	1.8
69.07040	1.8
70.02930	1.3
70.22897	0.8
70.23312	1.4
71.08615	4.7
71.12312	0.4
79.05483	2.6
80.05010	0.4
81.07053	3.1
83.08604	2.2
85.10169	2.2
91.05459	9.0
93.07034	0.6
95.08573	3.6
96.04462	6.0
97.10146	1.2
103.05422	1.6
104.04945	0.5
105.03376	1.0
105.07008	15.5
106.06525	1.3
106.07330	1.5
107.04903	0.4
109.10136	1.8
110.06014	1.1
111.04381	0.3
115.05432	0.9
117.06982	2.6
118.06525	1.3
119.08553	0.4
120.08082	1.6
121.02843	4.2
124.07554	0.5
128.06180	2.2
129.06981	13.1
130.06497	10.9
143.08530	1.4
144.08070	7.6
145.06444	0.8
146.09616	21.3
147.09950	0.5
156.08054	1.0
168.08046	0.7
169.08798	0.8
170.09566	1.1
173.11819	0.4
174.09126	1.8
183.17445	0.8
201.00349	0.3
203.06236	0.3
212.28830	0.3
220.20494	0.5
236.20032	5.1
237.20488	0.6
300.23160	0.6
304.05203	1.1
310.25189	4.0
328.26285	100.0
329.26614	5.6
338.40601	0.3
346.27307	0.6
466.29318	1.7
466.39682	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01863	0.2
55.05499	0.4
56.05027	0.2
56.11786	0.1
57.07063	1.8
63.23316	0.1
67.05490	0.9
68.05017	1.4
69.07050	0.7
70.02937	0.4
71.08620	2.5
71.78998	0.2
79.05482	1.1
80.04971	0.2
81.07030	1.6
82.06583	0.3
83.04966	0.3
83.08604	0.3
84.04488	0.3
84.32838	0.1
85.06499	0.1
85.10165	1.2
86.05986	0.2
91.05463	1.4
93.07016	0.7
95.04940	1.3
95.08591	1.9
96.04474	0.5
103.05460	1.4
105.07022	0.2
105.24496	0.1
107.04934	56.6
108.05250	0.8
108.32710	0.1
109.06509	0.3
109.10170	0.2
112.11210	0.3
113.15405	0.1
115.05435	4.7
117.06998	1.4
119.04944	0.5
119.08579	0.2
121.06487	2.8
122.03599	0.2
129.07053	0.2
130.04121	0.4
131.04904	3.1
132.05699	0.2
133.06453	0.4
134.05949	0.2
135.04353	0.1
137.05945	6.1
143.04893	7.7
144.05692	0.9
145.06462	6.7
146.05965	0.2
147.04399	0.5
147.08022	0.5
150.06746	0.6
151.07532	1.2
153.06949	0.2
155.06039	0.4
155.14305	0.2
157.06438	0.1
159.08072	0.2
160.05170	3.5
160.06418	0.2
161.05936	0.9
161.09470	0.2
162.05481	2.8
162.06757	1.9
162.09076	0.3
163.06239	1.2
163.07536	2.5
165.05585	0.2
165.06998	0.6
166.07762	0.6
167.08528	0.2
169.06439	0.1
172.07503	0.4
173.05986	0.1
174.05499	0.5
175.07512	10.9
176.07028	2.2
176.08330	0.3
177.07820	4.6
178.08601	8.3
179.08681	0.3
181.06461	0.9
181.10100	0.6
182.07144	0.1
183.08072	0.2
186.09038	0.1
187.07428	0.3
189.07805	1.4
189.09091	0.2
190.08698	2.1
191.08310	1.9
192.10170	0.4
192.17377	0.3
194.07231	2.4
195.08061	0.6
197.05991	0.4
197.09738	0.2
198.18533	1.1
200.07094	0.2
201.09085	0.2
204.10164	8.1
205.10921	1.8
206.11774	0.3
207.07988	0.2
208.08751	0.2
208.16982	0.4
209.07591	0.3
209.09572	5.9
210.09987	0.2
210.18494	1.6
211.07553	0.5
212.08192	0.2
212.29935	0.1
214.08607	0.2
215.09297	0.1
216.10152	0.2
217.07278	0.3
218.07927	0.5
219.08008	1.4
220.08708	0.3
222.06752	0.4
223.07529	0.5
225.05453	0.2
228.10123	1.3
230.11749	0.8
231.08827	0.4
232.09639	6.3
233.10336	0.6
235.07442	0.2
236.08247	0.3
237.09061	6.6
238.09743	0.6
239.06950	0.7
240.07787	0.3
241.08337	0.1
246.11221	8.7
247.11972	3.0
252.07672	0.2
254.09302	1.4
260.12759	3.1
260.15280	0.2
266.24823	0.2
267.10059	0.3
269.11667	7.8
270.12048	0.2
274.14258	0.3
275.20059	0.1
288.15866	0.4
288.19391	0.2
295.13211	0.2
296.12741	2.3
302.17480	0.6
302.20847	0.3
303.04990	0.4
304.05350	0.7
304.22824	0.3
312.15872	3.8
316.19028	0.4
316.22668	0.3
330.20660	0.2
342.24374	0.2
344.22119	2.1
358.23569	1.3
359.20126	0.2
359.24472	2.7
359.28790	0.2
448.28259	0.1
466.29440	100.0
467.29779	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	466.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01863	0.2
55.05505	0.3
57.07069	1.2
67.05482	0.6
68.05017	1.9
69.03402	0.3
69.07052	0.4
70.02935	0.3
70.62111	0.2
70.91235	0.4
70.91611	0.4
71.08619	1.9
79.05479	0.7
81.07049	0.9
82.46455	0.2
83.08604	0.3
85.10159	1.1
88.71870	0.2
91.05466	1.2
93.07018	0.6
95.04937	1.1
95.08592	1.3
96.04478	0.2
96.94162	0.2
102.04688	0.2
103.05453	1.2
105.06975	0.2
107.04937	36.5
108.05281	0.7
109.06499	0.2
113.39156	0.2
115.05434	6.4
117.07011	1.1
119.04914	0.3
121.02888	0.4
121.06484	3.6
122.03671	0.2
131.04903	1.4
133.06473	1.1
137.05956	3.9
143.04893	8.4
144.05432	0.2
145.06458	5.2
147.04399	0.7
147.07957	0.2
149.05954	0.2
150.06714	1.0
151.07527	1.0
155.06012	0.3
155.14281	0.4
157.06528	0.2
158.05989	0.2
160.05222	0.7
161.04729	0.3
161.05963	0.7
162.05504	0.7
162.06743	1.4
163.06270	2.0
163.07549	1.2
165.06941	0.4
166.07762	0.5
169.06413	0.3
171.06769	0.4
173.08380	0.2
174.05566	0.3
175.06125	0.3
175.07529	3.4
176.07002	2.8
177.07837	5.3
178.08611	11.2
179.08873	0.2
181.06511	0.5
181.10152	0.3
184.07596	0.3
186.09109	1.0
187.09953	0.2
188.06993	1.0
188.10666	0.3
189.07832	1.6
189.09213	0.2
190.08737	1.1
191.08546	0.9
191.09630	0.2
192.10165	0.6
194.07222	1.4
195.07948	0.5
198.18449	0.2
200.06908	0.2
201.09196	0.2
202.08736	0.3
204.10170	13.4
205.10924	2.2
206.11703	0.3
207.08025	0.4
208.16962	0.6
209.06000	0.2
209.09590	3.8
210.09067	1.0
210.18512	0.5
211.07642	0.3
211.09666	0.3
211.11462	0.2
213.07838	0.4
214.08607	1.8
216.06584	0.2
216.10118	0.4
217.07388	0.8
218.07959	0.4
218.11646	0.4
219.08026	0.7
222.06799	0.3
223.07425	0.2
228.10156	4.7
229.10915	3.3
230.11681	0.8
231.08916	0.5
232.09641	13.3
233.10175	0.8
235.07571	0.4
236.08458	0.2
237.09059	3.8
237.80035	0.2
238.09720	0.3
239.07056	0.8
240.07762	0.4
242.11812	0.3
246.11215	9.8
247.11955	3.7
252.64021	0.2
254.09419	0.8
260.12793	4.2
261.13077	0.2
269.11664	5.3
274.14337	0.5
280.09726	0.2
288.15839	0.6
296.12759	8.5
297.13126	0.3
302.17459	0.9
302.20966	0.4
304.05322	0.4
310.14453	0.2
312.15817	2.0
312.26038	0.3
316.19037	0.4
335.26382	0.2
341.23495	0.3
342.24283	0.2
344.22244	0.5
358.23669	1.7
359.24500	2.3
466.29456	100.0
467.29773	4.8
467.36420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06014	0.3
53.03935	0.4
55.05490	1.1
57.07070	5.2
61.02893	0.9
61.56113	0.3
65.03955	0.3
66.87457	0.3
67.05490	1.7
67.22030	0.3
67.90256	0.3
69.03410	1.2
69.07038	1.4
71.04993	0.3
71.08622	6.0
71.28415	0.6
71.28741	0.3
79.05465	0.4
81.03381	0.5
81.07048	2.9
81.44077	0.2
81.88959	0.3
83.08601	0.8
85.02876	2.4
85.10173	3.0
87.04465	0.3
91.05455	3.2
91.05958	0.4
91.15849	0.3
93.07030	0.4
95.08591	4.0
97.02865	1.0
105.06962	0.4
106.06541	3.3
107.04905	0.4
109.02853	0.4
117.05702	1.3
118.06511	0.5
120.08019	0.3
127.03951	0.3
130.06508	12.5
132.08069	14.1
134.05960	1.3
140.59575	0.3
143.07289	1.5
150.09178	0.3
155.14262	1.0
156.08087	0.8
160.07545	4.3
193.28838	0.3
198.76085	0.3
268.20538	1.1
286.21606	100.0
287.21945	5.7
303.05011	1.1
304.05310	2.5
304.22659	22.5
305.05521	0.4
305.22882	1.0
307.93515	0.4
312.08829	0.3
350.39014	0.3
448.28867	0.3
463.07672	0.3
466.27927	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
54.94202	0.9
55.01861	1.9
55.05490	2.3
57.03422	13.2
57.07056	2.4
59.04980	1.9
61.02919	5.0
67.05491	6.8
69.03415	37.5
69.07049	4.8
70.06578	1.5
70.82419	2.7
71.01325	1.3
71.04981	1.4
73.02908	8.5
79.05488	7.8
81.03411	4.1
81.03803	0.7
81.07037	100.0
83.04946	1.1
83.08594	1.9
85.02887	43.0
85.06521	0.8
87.04449	25.0
91.03931	3.1
91.05447	2.3
93.07021	4.2
95.04942	1.8
95.08584	27.7
97.02871	34.8
97.06487	1.2
97.10148	1.0
99.04388	2.2
105.06985	1.8
107.04909	1.1
107.08570	2.4
109.02862	2.4
109.10139	2.4
111.04395	1.8
111.11696	0.7
115.03903	42.8
119.08530	1.1
121.02822	1.2
121.06410	1.0
121.10107	2.6
123.04411	1.4
123.11668	4.7
125.13240	1.6
127.03901	10.9
132.06541	1.0
133.04938	47.7
133.10086	1.7
135.11649	2.0
137.02312	2.6
137.13223	76.7
138.13611	1.1
139.03885	0.8
145.04926	15.0
147.04393	2.9
148.04680	0.9
149.33157	0.8
150.07602	7.3
153.01688	1.9
154.96655	0.8
155.14296	1.9
157.05023	1.1
159.11603	1.6
161.06007	1.3
161.13275	1.5
163.03876	3.5
163.05989	6.3
165.12737	1.9
169.04915	1.0
175.05946	1.2
177.12727	2.3
179.05510	1.0
179.14243	1.4
195.13696	2.2
223.05998	1.3
230.05293	1.1
233.15350	1.8
241.07159	2.8
248.12593	0.9
251.16435	4.2
257.17365	1.4
259.08130	4.5
262.02621	1.0
269.17389	5.9
275.09177	1.3
277.09137	2.3
295.10037	4.9
299.18338	1.8
303.04959	14.6
304.05258	28.7
305.05405	1.6
317.19598	9.0
328.31296	0.8
355.04343	2.7
356.04712	6.2
443.92966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.05497	1.7
57.03424	4.8
57.07063	2.0
61.02904	1.3
63.07331	0.6
65.03960	0.6
67.05502	5.4
69.03419	18.0
69.07060	4.8
70.91930	1.9
72.78786	0.6
73.02926	1.4
79.05482	8.4
79.78570	0.7
81.03415	1.3
81.07045	100.0
82.07378	0.7
83.08623	1.1
85.02893	16.3
87.04456	14.0
91.04006	0.7
93.07047	1.2
95.07989	1.0
95.08594	19.8
95.09187	1.1
97.02872	16.4
99.04429	1.1
105.07017	1.2
107.08569	1.6
109.02866	0.6
109.10130	1.5
111.04440	0.8
115.03913	28.1
123.11701	0.8
127.03896	2.9
133.04945	31.0
137.13240	24.5
138.13646	0.9
145.04915	4.1
150.07610	3.7
161.13348	0.6
163.06081	1.1
175.03914	0.6
196.25230	0.5
241.07126	2.0
256.59827	0.6
259.08066	3.1
269.17560	1.3
277.09219	1.1
295.10168	3.5
303.05005	5.2
304.05264	11.0
304.08386	1.1
305.05560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01864	4.6
55.05486	1.5
55.85921	0.7
57.03189	0.8
57.03427	10.8
57.07055	3.1
59.04968	1.2
60.51561	0.7
61.02911	4.9
63.31331	0.7
67.05499	4.9
69.03419	15.7
69.07050	4.5
70.26350	3.6
71.01326	1.7
71.04990	1.4
72.04507	1.0
73.02903	14.1
79.05463	3.5
81.03403	3.6
81.07043	49.5
81.18852	0.7
83.04973	0.7
83.08614	1.5
83.78335	0.7
85.02892	47.5
87.04459	3.7
91.03947	2.1
91.05431	0.9
93.07034	1.8
95.04927	1.2
95.07983	1.7
95.08592	34.8
97.02880	22.0
97.06476	1.1
97.10145	2.5
98.21463	0.8
98.99915	0.7
99.04443	1.2
103.03891	2.4
107.08566	2.0
109.02858	4.6
109.10129	2.1
111.04403	1.3
111.11686	1.5
115.03918	12.3
121.10114	1.5
123.11678	4.9
125.13238	2.3
127.03894	12.8
129.05418	0.9
131.08615	0.8
132.06540	2.1
133.04950	19.0
135.11586	0.9
137.06013	0.8
137.13231	100.0
138.13562	1.0
139.73666	0.7
145.04936	23.4
147.04405	1.8
147.11783	1.2
149.13213	2.0
150.07574	4.5
155.14273	3.3
157.10123	0.7
161.13228	1.2
163.03951	1.0
163.05986	16.1
163.07297	1.2
167.14273	0.8
175.06021	1.9
179.14319	0.8
191.14302	1.5
191.26006	0.7
193.05107	0.9
203.42491	0.7
204.08699	0.8
209.15295	1.8
209.99254	0.7
216.07570	3.2
217.07993	3.0
218.08690	1.3
223.06006	2.0
233.15332	1.8
239.16394	1.1
241.07024	1.7
245.03081	0.7
251.16368	4.3
257.17545	1.4
259.08139	3.2
263.16354	2.2
269.17459	2.6
277.09204	1.2
281.17535	3.1
287.18491	1.1
295.10223	2.9
297.10226	0.9
299.18558	3.9
303.04858	3.9
304.05292	8.5
317.19495	11.0
356.04855	3.0
369.81418	0.8
377.64694	0.7
422.14978	6.0
466.14020	24.7
467.14160	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01866	5.7
55.05491	1.9
57.03428	10.8
57.07054	2.5
59.04975	1.7
61.02913	6.9
66.96590	0.6
67.05496	6.7
69.03418	16.1
69.07047	4.1
71.01328	3.2
71.04971	1.7
71.43865	0.5
71.79013	0.8
73.02906	19.4
78.49895	0.6
79.05482	4.3
81.03414	3.1
81.07040	70.3
83.04975	1.5
83.08588	2.0
85.02890	42.7
85.06535	0.8
87.04465	2.9
91.03951	1.8
91.05450	2.2
93.07018	4.2
95.04959	1.5
95.07985	1.2
95.08588	20.3
97.02871	19.9
97.10139	2.6
99.04424	1.5
103.03909	2.6
105.07031	2.9
107.08559	4.5
109.02848	2.8
109.10134	5.1
111.04423	1.0
111.11716	0.8
114.25999	0.6
115.03911	11.5
119.04944	1.5
119.08533	2.9
121.10112	3.4
123.04416	0.8
123.08036	1.0
123.11681	6.7
125.13234	1.7
127.03899	12.4
129.05444	1.1
129.19629	0.7
131.08543	2.4
132.06540	1.1
133.04941	13.7
133.10092	2.6
135.08028	1.2
135.11652	2.6
137.13228	100.0
138.13564	0.9
143.08606	0.7
145.04944	20.6
145.10112	1.2
147.04375	4.3
147.11668	2.4
149.13229	2.7
150.07588	3.8
151.11198	1.3
153.01828	1.4
155.14313	1.4
159.11678	2.7
161.13147	3.1
163.05981	12.3
163.11174	0.8
167.14403	0.8
170.88297	0.6
171.11577	0.7
173.13161	1.3
175.06009	1.1
177.12720	0.8
179.14265	0.9
187.14803	0.9
191.14299	1.4
191.17981	0.8
191.26300	0.7
203.14314	1.1
209.15323	0.7
215.17943	2.6
221.15369	0.8
223.05983	1.8
230.05206	1.1
233.15381	1.5
233.19061	1.7
239.16408	1.6
241.07039	2.6
245.15372	1.0
251.16397	2.5
251.19930	2.6
257.17453	2.8
258.04727	0.6
259.08017	3.7
263.16415	3.0
269.17587	2.2
269.21057	15.4
277.08945	0.6
281.17487	2.1
287.18915	1.3
287.22156	3.3
295.10251	2.4
299.18512	1.6
303.04984	9.9
303.08368	0.6
304.05249	21.1
305.05606	1.3
317.19540	6.9
466.26364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93514	1.9
57.03425	18.7
59.04983	5.7
60.04497	2.7
69.03419	74.9
69.67032	13.8
70.06584	2.8
73.02911	1.7
75.04449	3.2
81.03409	3.8
85.02889	58.6
87.04453	56.2
91.03970	2.1
97.02872	64.1
109.02840	2.3
111.04416	4.9
112.86924	1.6
115.03909	91.3
120.08049	3.2
121.06519	1.9
123.04410	5.2
125.05960	2.8
127.03876	7.4
131.04938	2.0
133.04947	100.0
135.04372	3.5
137.02315	50.8
137.05936	1.8
145.04926	6.6
150.07581	21.6
151.03888	3.4
151.39635	1.6
153.01859	3.8
153.05486	2.3
155.03357	70.1
163.03897	12.9
165.01979	1.6
180.08710	2.5
223.05949	1.9
229.04951	2.2
230.05106	2.6
241.07082	2.8
259.08029	3.0
277.09033	3.5
286.04132	2.3
303.04904	20.2
304.05286	56.9
305.05533	3.6
404.16049	5.0
406.13855	2.4
466.16061	29.1
483.61594	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
54.09186	0.8
55.01852	3.0
55.05488	2.3
56.42233	0.7
57.03424	5.0
57.07064	1.1
61.02908	3.2
67.05495	6.1
69.03415	9.3
69.07056	4.0
70.06575	1.0
71.04995	1.5
71.79491	1.0
73.02918	6.8
79.05473	9.2
81.03387	2.6
81.07042	100.0
82.07350	1.0
83.08608	1.0
85.02892	19.7
85.54337	0.7
86.09692	1.9
87.04453	3.2
91.03967	1.7
91.05470	2.5
93.07037	3.7
95.04952	1.1
95.06059	1.2
95.08592	17.6
97.02873	14.8
97.06493	2.3
100.11271	1.3
103.03934	1.2
104.10741	1.0
105.03384	1.5
105.07011	1.9
107.08583	1.1
109.02876	3.3
109.10145	2.2
115.03914	10.7
119.04930	3.0
119.08576	1.6
121.06499	1.3
121.10128	1.2
123.04379	0.9
127.03870	7.2
129.06906	0.9
133.04944	14.2
133.10149	1.2
137.02415	1.2
137.13229	28.4
145.04965	8.4
147.04379	10.3
149.13258	1.0
150.07593	2.9
153.01842	1.9
155.14301	1.1
159.11655	1.0
163.03871	2.0
163.05991	2.4
165.01883	1.1
177.05484	0.9
177.12744	1.4
184.07269	1.0
193.04970	1.1
216.07178	0.8
223.05995	1.6
230.05260	1.2
241.06961	1.9
248.06923	1.2
259.08191	1.4
269.17404	6.0
277.09122	1.0
295.10193	1.6
303.04962	11.4
303.08176	1.4
304.05255	25.8
305.05618	1.8
306.64105	0.9
318.07574	1.8
347.07999	1.2
348.08798	1.2
446.61496	0.9
466.10983	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	465.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01851	4.5
55.05505	9.1
57.07067	14.8
58.77922	1.1
59.08541	1.0
62.98011	1.0
65.03915	2.1
65.63285	0.8
66.13127	0.9
67.01830	1.2
67.05492	16.0
69.03407	1.1
69.07053	12.4
69.57417	1.2
69.57758	10.6
71.08614	12.1
79.05470	3.6
81.07052	8.1
83.01340	2.5
83.04967	2.5
83.08596	8.1
85.06544	1.2
85.10169	5.6
89.06009	1.2
91.05424	1.3
93.07011	3.0
94.57455	0.9
95.04922	1.2
95.08588	5.0
95.70195	1.1
97.06516	2.0
97.10152	5.2
99.00792	4.0
99.04430	7.1
105.06984	2.1
107.08549	2.4
107.12484	1.0
109.02841	1.2
109.06451	2.3
109.10132	10.7
111.04404	3.5
111.11693	2.5
119.08564	1.6
121.10108	2.2
125.05940	2.5
125.13260	1.3
127.03867	4.0
135.04437	1.3
135.11662	1.1
137.05949	5.1
139.03876	74.6
139.07559	1.5
141.05438	1.6
145.10065	1.4
149.09648	1.0
151.03836	2.1
151.07445	1.5
153.05424	17.2
159.11679	1.4
163.03864	2.4
167.07005	2.3
169.04906	5.3
173.11690	2.9
177.09155	1.7
181.04927	100.0
182.05254	2.9
191.10649	1.5
195.06422	1.2
209.08072	1.6
223.09613	2.3
226.18727	1.0
237.11113	2.2
251.12740	2.9
265.14255	2.4
279.15820	2.0
293.17499	2.4
303.05020	8.4
307.19119	1.9
321.20456	2.0
335.22006	1.9
349.23608	1.6
377.26392	1.4
391.28394	1.1
401.33994	4.2
405.33246	2.2
419.35141	5.0
429.33661	5.4
447.34482	10.3
465.35757	13.0
466.46191	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.01861	3.4
55.05255	1.0
55.05499	11.2
57.01937	1.0
57.03417	3.7
57.07063	22.6
61.02902	1.3
62.20830	0.7
65.03917	2.9
65.55443	0.6
67.05490	13.5
69.03391	1.8
69.07053	15.4
71.08239	1.2
71.08615	20.8
71.28770	1.5
79.05475	5.5
81.03379	0.9
81.07034	9.5
83.04958	10.4
83.08601	11.5
85.06516	0.9
85.10163	10.1
89.06043	0.9
91.05459	1.3
93.03379	1.7
93.07030	5.3
95.04937	2.4
95.08585	8.6
97.06501	4.3
97.10140	8.2
99.00783	0.8
99.04432	5.7
99.11685	1.6
105.06997	2.7
107.04925	4.4
107.08573	4.3
109.02851	1.4
109.06504	4.5
109.10142	8.5
111.04422	16.1
111.08048	2.4
111.11680	3.5
112.04836	0.7
113.09595	0.8
116.46789	0.7
117.06950	0.7
119.08517	2.6
121.06472	2.3
121.10108	3.1
123.04405	1.9
123.08027	3.1
123.11664	2.7
125.02327	9.9
125.05956	14.5
125.09615	1.4
125.13306	0.9
127.03883	8.0
131.08527	1.7
133.10098	2.8
135.04372	3.7
135.08014	2.1
135.11641	2.5
137.05925	3.9
137.09590	2.2
137.13260	0.7
139.03873	4.5
139.07518	2.7
139.11050	0.7
141.05447	1.4
145.10101	2.0
147.11694	1.7
149.06015	0.8
149.09596	3.0
149.13240	1.3
151.03882	2.2
151.07495	2.8
151.11142	1.2
153.05435	100.0
154.05763	0.8
155.06931	1.6
159.11592	1.3
161.09564	1.4
161.13222	1.5
163.03854	2.1
163.07480	1.2
163.11104	2.1
163.14810	1.1
165.09090	2.9
165.12729	1.9
167.07014	8.8
167.10626	1.7
169.04935	3.3
173.11746	1.3
173.13235	1.4
177.09105	3.8
177.12706	1.5
179.10703	1.6
181.04951	5.9
181.08578	7.6
181.12143	1.0
183.11577	0.9
187.05937	3.7
189.12672	1.2
191.10661	1.9
193.12239	2.0
195.06502	1.4
195.10121	7.9
199.05975	88.8
200.06351	1.8
205.15865	0.8
207.13783	1.4
208.40337	0.7
209.08028	1.1
209.11670	6.6
209.15283	0.8
213.07509	6.0
221.15306	2.3
223.09656	2.2
223.13167	4.2
223.17010	0.9
227.08997	5.0
235.16879	1.1
237.11134	1.4
237.14795	2.7
237.18449	0.9
240.08649	2.9
241.10686	6.7
251.12648	1.5
251.16478	2.4
255.12238	8.0
265.14130	1.2
265.17966	3.0
269.13800	7.2
279.19455	2.8
283.15366	5.1
293.17340	1.9
293.21039	2.8
297.16946	5.9
303.04840	4.4
307.19022	0.9
307.22623	1.3
311.18411	7.8
321.20755	1.1
321.24203	1.4
325.20065	9.3
329.27832	1.0
335.25757	1.0
339.21539	9.4
347.29303	3.4
353.23080	8.3
363.25146	1.2
367.24930	6.1
381.26263	5.2
391.32220	3.4
395.27805	5.4
401.33533	1.0
409.29456	6.6
419.35104	7.8
447.34692	3.1
465.35675	92.2
466.35916	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01846	5.3
55.05496	11.9
57.03419	2.3
57.06819	1.9
57.07066	22.6
61.23860	1.6
65.03925	2.1
67.05496	13.0
69.07052	15.0
69.59420	13.8
69.59832	2.8
69.60590	1.4
71.08622	20.0
79.05476	5.5
81.07035	11.0
83.04949	9.7
83.08600	12.2
85.06531	1.9
85.10159	9.7
89.06013	1.8
91.05446	1.7
93.03389	2.2
93.07043	2.6
95.08576	10.7
97.06504	3.1
97.10153	6.4
99.04449	4.1
99.11688	2.2
105.06992	3.9
107.04916	4.6
107.08567	5.1
109.02822	1.7
109.06506	3.0
109.10110	7.4
111.04433	12.8
111.08061	2.5
111.11713	4.1
121.06491	3.1
121.10094	3.4
122.24624	1.4
123.04449	2.5
123.08083	3.0
125.02329	10.2
125.05967	13.7
125.09635	2.6
126.96036	1.5
127.03893	7.0
133.10162	3.3
135.04375	3.1
135.08049	1.6
135.11722	2.2
137.05981	4.3
137.09560	2.5
139.03877	3.6
139.07523	2.9
141.05467	1.8
144.44801	1.5
149.09578	3.7
149.18456	1.4
151.03867	1.8
151.07634	2.3
153.05437	95.3
155.07011	2.1
163.03929	1.7
163.11172	2.8
165.09015	2.0
165.12741	1.8
167.07042	6.9
169.05005	2.7
177.09048	4.6
181.04955	6.7
181.08583	7.4
187.05904	3.9
193.12256	2.4
195.06459	2.0
195.10165	7.5
199.05981	86.4
207.13713	2.2
209.08096	2.4
209.11707	5.8
213.07626	7.5
223.09712	2.7
223.13222	4.7
227.09091	2.8
237.11176	2.5
237.14771	2.3
240.08641	3.4
241.10725	2.7
251.16425	1.9
255.12254	8.2
265.17963	1.8
269.13724	7.5
279.19388	2.4
283.15298	4.5
293.21228	2.2
297.16965	5.7
303.04913	9.2
311.18466	3.9
325.19958	10.3
339.21558	9.9
347.29453	4.5
353.23300	7.2
367.24680	4.4
381.26471	5.0
391.32120	4.6
395.27823	5.7
409.29404	5.3
419.35175	8.9
447.34781	4.3
465.35669	100.0
466.36008	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	465.3105
Annotation	112648-68-7
Peak:m/z	Relative Intensity
53.03952	0.5
55.05499	1.3
57.07064	4.2
61.02903	0.7
67.05482	2.8
69.03384	0.5
69.07040	2.1
71.02212	0.5
71.08611	2.8
71.82220	0.9
79.05481	3.4
81.07056	3.6
82.06528	1.0
83.08606	0.7
85.02889	0.7
85.10165	2.3
89.06002	1.4
91.05501	0.6
93.07046	0.8
95.04951	1.1
95.08591	3.2
97.02872	0.7
98.09682	0.5
101.73341	0.5
103.05431	1.7
105.03399	1.1
105.07011	28.2
106.07351	8.4
107.08605	1.3
108.08067	1.0
109.10127	1.5
110.06023	0.8
110.09628	0.6
118.06499	3.3
119.08553	0.8
121.10139	0.7
122.09618	0.8
124.11186	1.2
128.06190	1.1
129.06976	7.8
130.06500	2.0
133.08565	0.6
133.10085	0.6
138.09113	0.8
142.06538	0.6
143.07336	0.6
143.08543	0.6
144.08037	3.5
146.05974	8.0
150.09126	1.4
153.01765	0.6
154.06491	3.4
156.08060	28.3
156.10153	1.2
158.09610	2.6
163.05502	0.5
168.08058	8.1
169.07538	1.2
169.08835	1.0
170.06017	1.1
170.09630	3.9
178.49997	0.5
179.03462	0.8
188.07025	6.6
196.07675	1.0
197.04410	0.8
214.08594	3.6
215.08099	1.4
236.20113	1.3
252.23180	1.1
257.08063	1.1
262.21500	1.1
265.16891	0.7
266.17447	0.7
276.23404	0.7
278.24750	2.2
303.04913	14.1
303.08133	1.1
304.05417	0.8
304.23285	0.6
308.22095	1.5
309.16153	0.6
310.23663	2.9
311.17538	2.3
321.75214	0.6
361.32639	0.6
379.18890	0.6
385.29208	3.3
403.84216	0.5
465.31021	100.0
465.38922	24.4
466.31339	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	465.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.0
50.46612	0.9
53.03935	5.2
55.01871	4.8
55.05500	26.5
57.03429	16.1
57.07053	1.5
61.02903	3.3
65.03931	3.1
67.05494	68.2
69.03411	5.0
69.07059	17.1
69.44666	10.0
70.16447	0.9
71.01344	3.8
71.04967	6.0
73.02907	1.5
77.03921	1.3
79.05479	58.8
80.05851	0.8
81.03406	50.2
81.07041	44.8
81.07523	2.3
82.07331	0.9
83.04971	19.1
83.08604	20.5
85.02373	1.4
85.02893	29.4
85.06522	5.6
91.03928	2.3
91.05466	45.4
92.05790	1.0
93.07030	62.7
94.07316	1.0
95.04952	37.9
95.08590	16.0
96.05279	1.1
97.02884	3.9
97.06527	11.8
97.10155	13.5
99.04485	1.6
99.08078	2.0
105.03388	1.3
105.04523	1.2
105.07020	24.9
105.20696	0.8
107.04951	7.8
107.08574	31.0
109.06493	5.7
109.10152	7.8
111.04485	2.3
111.08051	11.2
113.06002	3.6
115.05454	1.7
117.07016	7.3
119.05001	1.0
119.08563	21.5
121.02891	1.1
121.06506	4.2
121.10126	13.0
121.10959	1.5
123.08041	2.6
123.11707	1.6
125.05914	1.3
125.09627	3.6
129.06995	10.3
130.07739	1.4
131.08556	11.3
133.06461	2.6
133.10106	10.4
133.11018	1.2
135.08090	2.5
135.11676	45.1
136.78433	0.8
137.02303	2.0
137.09578	2.8
137.13199	1.1
141.06937	1.0
142.07800	2.8
143.08472	1.0
145.10098	10.7
147.08051	2.3
147.11650	12.4
149.09595	5.3
151.11183	1.3
153.01807	2.2
157.10104	10.6
159.11700	2.1
163.11162	6.8
165.01929	0.9
165.12701	1.8
169.10194	0.9
171.11758	1.0
175.11154	14.2
181.12201	8.3
183.11658	1.0
185.13184	1.1
187.11110	1.4
189.11266	1.8
193.12218	44.0
199.13268	1.5
201.18694	0.9
205.12306	1.1
211.13263	55.5
212.13533	1.7
223.13313	1.3
227.12770	1.2
229.04962	2.8
249.14969	1.8
255.15849	13.2
257.04303	1.1
267.15875	11.6
285.03836	1.5
285.16663	1.1
303.04944	50.9
304.05298	4.7
329.21152	2.9
355.22583	2.6
373.23703	4.5
403.25101	2.3
421.25803	3.1
429.26224	1.4
447.27380	19.3
450.81503	1.0
465.28430	100.0
466.28964	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1748
Annotation	Scorzodihydrostilbene A
Peak:m/z	Relative Intensity
53.03936	1.5
55.01857	2.4
55.05478	1.1
57.03426	4.2
60.08154	0.8
61.02918	6.7
65.03931	1.1
67.05476	0.9
68.28628	0.7
69.03075	1.1
69.03416	12.6
69.07057	1.1
70.42007	2.4
71.04965	1.1
73.02895	1.9
79.05468	2.2
81.03403	3.3
81.07050	1.4
82.77613	0.6
83.04958	1.8
85.02892	51.7
86.03214	0.9
86.09679	1.9
87.04436	2.0
89.03875	0.8
89.62325	0.6
91.03950	3.4
91.05476	5.1
93.07023	2.8
94.07331	1.2
95.04939	2.2
97.02875	16.1
97.06500	1.1
98.03191	0.7
98.20696	1.0
99.04433	8.6
103.03926	9.5
105.07042	1.3
107.04928	2.3
107.08583	3.1
108.08928	1.7
109.02865	5.0
109.10130	1.0
110.57706	0.7
111.00813	1.1
111.04426	4.6
115.03911	3.9
115.05430	5.9
116.04285	0.7
116.06192	1.5
117.06988	4.6
119.04929	2.7
119.08557	3.1
121.02853	2.5
123.04396	1.3
124.99969	0.8
127.03899	14.3
128.06195	1.6
128.15628	0.8
129.06998	3.7
130.41792	0.7
131.04901	1.7
131.08542	5.0
132.05692	5.3
133.04941	2.1
133.06470	2.0
133.10100	1.3
135.04381	1.2
135.11690	1.8
136.12007	1.2
137.02339	3.3
137.05904	1.0
141.06987	2.7
143.04904	2.2
143.08543	0.7
144.05682	6.6
145.02917	0.7
145.03816	0.9
145.04942	16.9
145.06430	5.7
146.07245	1.7
147.04381	7.8
147.08034	5.3
148.04654	0.7
149.02344	0.7
150.07585	0.9
151.07521	1.1
153.01781	4.3
153.06955	1.8
154.07777	1.3
155.08527	2.2
157.04999	0.7
157.06459	2.0
158.07253	2.5
159.04381	0.7
159.08051	7.6
160.05156	1.6
161.05939	1.8
162.06721	1.4
163.03885	4.9
165.01802	1.6
165.05473	0.7
165.06947	1.8
167.07002	5.9
167.08510	2.2
168.05661	1.0
169.07721	0.7
169.10097	2.0
170.07211	2.2
171.08035	1.8
172.05159	1.4
173.02461	0.8
173.05933	3.1
173.09566	2.1
174.06728	1.6
175.07512	14.3
177.05505	1.0
178.06151	0.7
178.07695	1.1
179.08525	6.1
181.06464	2.1
182.07231	7.7
183.02892	1.0
183.07974	2.8
184.07314	5.8
185.06010	1.2
185.07732	1.8
186.06703	1.0
187.04025	0.9
187.05946	1.1
187.07529	12.0
188.08244	0.8
189.05428	1.4
189.09109	1.4
190.06206	10.5
191.07010	2.6
192.07869	3.5
195.08044	1.8
196.08675	1.1
197.09595	9.7
198.06715	1.0
199.03955	0.6
199.07491	2.4
201.05405	2.5
201.09111	5.2
203.07048	2.4
204.07768	4.7
205.08578	46.4
206.09366	4.6
207.08205	1.4
207.10127	25.5
210.06718	5.8
211.07603	3.3
213.08989	1.2
214.09885	1.1
215.07063	2.0
215.10562	1.1
216.07774	1.9
217.08495	1.0
218.09279	1.8
219.10132	10.9
220.10588	0.9
221.11786	1.3
223.07466	0.8
223.09508	1.0
224.08261	1.3
225.09099	12.0
227.07083	2.4
228.07751	1.1
229.05038	4.6
229.08621	2.7
229.12164	0.9
231.06508	1.0
231.10155	8.7
232.10724	0.7
233.08023	1.2
233.11714	2.9
235.09628	5.2
239.06985	0.9
241.08759	1.1
242.09355	2.5
243.10095	5.4
247.06021	1.1
247.09589	2.4
247.13368	0.9
249.11179	1.9
253.08556	10.2
257.04398	2.6
257.11688	14.1
259.09671	2.2
261.11096	3.4
270.08875	1.0
271.09637	5.3
273.11169	1.2
274.04709	0.9
275.12723	5.2
285.04016	1.9
285.07919	1.1
285.11154	21.7
303.04953	100.0
303.12213	32.3
304.05334	6.0
321.13266	5.2
363.14371	7.3
447.16516	3.9
465.17798	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01857	2.4
55.05478	1.1
57.03426	4.2
60.08154	0.8
61.02918	6.7
65.03931	1.1
67.05476	0.9
68.28628	0.7
69.03075	1.1
69.03416	12.6
69.07057	1.1
70.42007	2.4
71.04965	1.1
73.02895	1.9
79.05468	2.2
81.03403	3.3
81.07050	1.4
82.77613	0.6
83.04958	1.8
85.02892	51.7
86.03214	0.9
86.09679	1.9
87.04436	2.0
89.03875	0.8
89.62325	0.6
91.03950	3.4
91.05476	5.1
93.07023	2.8
94.07331	1.2
95.04939	2.2
97.02875	16.1
97.06500	1.1
98.03191	0.7
98.20696	1.0
99.04433	8.6
103.03926	9.5
105.07042	1.3
107.04928	2.3
107.08583	3.1
108.08928	1.7
109.02865	5.0
109.10130	1.0
110.57706	0.7
111.00813	1.1
111.04426	4.6
115.03911	3.9
115.05430	5.9
116.04285	0.7
116.06192	1.5
117.06988	4.6
119.04929	2.7
119.08557	3.1
121.02853	2.5
123.04396	1.3
124.99969	0.8
127.03899	14.3
128.06195	1.6
128.15628	0.8
129.06998	3.7
130.41792	0.7
131.04901	1.7
131.08542	5.0
132.05692	5.3
133.04941	2.1
133.06470	2.0
133.10100	1.3
135.04381	1.2
135.11690	1.8
136.12007	1.2
137.02339	3.3
137.05904	1.0
141.06987	2.7
143.04904	2.2
143.08543	0.7
144.05682	6.6
145.02917	0.7
145.03816	0.9
145.04942	16.9
145.06430	5.7
146.07245	1.7
147.04381	7.8
147.08034	5.3
148.04654	0.7
149.02344	0.7
150.07585	0.9
151.07521	1.1
153.01781	4.3
153.06955	1.8
154.07777	1.3
155.08527	2.2
157.04999	0.7
157.06459	2.0
158.07253	2.5
159.04381	0.7
159.08051	7.6
160.05156	1.6
161.05939	1.8
162.06721	1.4
163.03885	4.9
165.01802	1.6
165.05473	0.7
165.06947	1.8
167.07002	5.9
167.08510	2.2
168.05661	1.0
169.07721	0.7
169.10097	2.0
170.07211	2.2
171.08035	1.8
172.05159	1.4
173.02461	0.8
173.05933	3.1
173.09566	2.1
174.06728	1.6
175.07512	14.3
177.05505	1.0
178.06151	0.7
178.07695	1.1
179.08525	6.1
181.06464	2.1
182.07231	7.7
183.02892	1.0
183.07974	2.8
184.07314	5.8
185.06010	1.2
185.07732	1.8
186.06703	1.0
187.04025	0.9
187.05946	1.1
187.07529	12.0
188.08244	0.8
189.05428	1.4
189.09109	1.4
190.06206	10.5
191.07010	2.6
192.07869	3.5
195.08044	1.8
196.08675	1.1
197.09595	9.7
198.06715	1.0
199.03955	0.6
199.07491	2.4
201.05405	2.5
201.09111	5.2
203.07048	2.4
204.07768	4.7
205.08578	46.4
206.09366	4.6
207.08205	1.4
207.10127	25.5
210.06718	5.8
211.07603	3.3
213.08989	1.2
214.09885	1.1
215.07063	2.0
215.10562	1.1
216.07774	1.9
217.08495	1.0
218.09279	1.8
219.10132	10.9
220.10588	0.9
221.11786	1.3
223.07466	0.8
223.09508	1.0
224.08261	1.3
225.09099	12.0
227.07083	2.4
228.07751	1.1
229.05038	4.6
229.08621	2.7
229.12164	0.9
231.06508	1.0
231.10155	8.7
232.10724	0.7
233.08023	1.2
233.11714	2.9
235.09628	5.2
239.06985	0.9
241.08759	1.1
242.09355	2.5
243.10095	5.4
247.06021	1.1
247.09589	2.4
247.13368	0.9
249.11179	1.9
253.08556	10.2
257.04398	2.6
257.11688	14.1
259.09671	2.2
261.11096	3.4
270.08875	1.0
271.09637	5.3
273.11169	1.2
274.04709	0.9
275.12723	5.2
285.04016	1.9
285.07919	1.1
285.11154	21.7
303.04953	100.0
303.12213	32.3
304.05334	6.0
321.13266	5.2
363.14371	7.3
447.16516	3.9
465.17798	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
61.02899	1.0
63.04457	0.3
68.99767	0.9
70.42957	0.3
71.01319	0.3
71.04948	0.4
71.59923	0.3
73.02899	21.7
74.52168	0.3
76.06734	0.3
77.82402	0.3
81.03392	0.5
81.68016	0.3
85.02885	4.0
87.04424	1.3
91.03944	0.4
95.04937	0.3
97.02859	0.5
99.04421	1.2
109.02878	0.5
111.00780	1.1
117.05460	0.5
121.02848	0.8
123.04384	0.4
127.03869	0.5
137.02307	3.0
147.04419	0.6
149.02393	0.4
153.01802	4.4
163.03851	0.6
165.01810	2.3
173.02209	0.3
173.05943	0.5
183.02829	0.7
187.03865	0.4
201.05441	2.0
203.03384	0.4
205.04823	0.4
229.04910	4.5
237.05408	0.5
243.02751	0.3
247.05876	0.4
253.05006	0.6
257.04391	3.3
271.02325	0.9
274.04575	0.5
281.04382	0.8
285.03839	2.2
299.05420	0.8
303.04919	100.0
304.05246	3.2
311.05630	0.3
313.03384	2.4
327.04913	0.4
355.04413	5.7
465.08047	3.3
466.08194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1019
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
57.03418	0.4
61.02916	6.3
65.03939	0.2
66.04886	0.2
68.18678	0.2
68.99785	0.7
69.03407	0.8
69.93536	0.2
70.17335	0.2
70.28094	0.8
73.02903	1.9
74.79854	0.2
81.03405	0.5
85.02895	5.2
91.03937	3.8
93.03397	0.3
97.02868	2.8
98.20831	0.3
99.04395	0.4
109.02884	0.5
111.00748	0.9
112.33104	0.2
115.03915	0.5
121.02852	1.0
123.04398	0.2
127.03890	1.1
127.48059	0.2
135.04395	0.2
137.02318	2.7
145.04942	0.7
149.02301	0.5
153.01790	3.8
155.04951	0.3
161.06052	0.3
163.03900	0.4
165.01826	1.9
173.06006	0.6
183.02866	0.8
183.04372	0.3
187.03902	0.2
195.02855	0.3
201.05402	1.6
229.04944	4.0
247.06003	0.7
257.04416	2.9
274.04623	0.5
275.05359	0.3
285.03894	1.5
303.04935	100.0
304.05307	2.8
343.20770	0.2
345.05780	0.2
470.41751	0.2
482.47906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
57.19420	0.3
61.02885	0.4
68.99768	0.3
70.47993	1.0
71.01344	0.4
71.37047	0.3
73.02903	22.8
78.25778	0.3
81.03387	0.3
81.69381	0.3
85.02885	4.3
87.04459	1.5
91.03930	0.4
97.02866	0.5
98.20738	0.3
99.04420	0.6
109.02849	0.4
111.00784	0.8
117.05476	1.1
119.74251	0.2
121.02824	0.7
123.04380	0.4
127.03932	0.3
137.02283	2.8
145.04968	0.4
149.02336	0.6
151.45792	0.3
153.01788	2.9
163.03912	0.8
165.01726	1.5
168.32892	0.3
173.05945	0.6
177.63445	0.3
179.18256	0.2
183.02928	0.5
187.03964	0.3
200.40221	0.3
201.05435	1.3
229.04906	3.9
247.05965	0.7
257.04355	2.3
274.04898	0.4
277.57971	0.3
285.03946	1.4
303.04938	100.0
304.05295	3.0
320.59048	0.3
489.59006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01845	0.6
57.03413	0.7
58.41589	0.2
61.02914	2.8
68.99777	0.6
69.03076	0.3
69.03416	2.8
71.03921	0.4
71.04968	0.3
73.02888	0.6
81.03400	1.7
83.01324	0.2
85.02888	9.4
87.04447	0.3
88.06522	0.2
91.03943	1.3
93.03403	0.3
95.04949	0.3
97.02877	3.2
99.04419	0.5
102.58547	0.2
109.02866	1.0
109.51777	0.2
111.00765	0.9
121.02831	1.0
123.04422	0.3
127.03887	1.6
135.04362	0.2
137.02318	3.6
139.27768	0.2
145.04927	1.5
149.02271	0.6
153.01808	4.1
155.04855	0.3
161.05951	0.3
163.03879	0.8
165.01817	1.9
166.02536	0.2
173.05952	0.4
179.03384	0.2
183.02843	0.7
183.04356	0.3
195.02794	0.3
201.05444	2.0
229.04929	4.8
238.00177	0.2
247.05942	1.0
257.04376	2.9
274.04688	1.0
275.05484	0.2
285.03897	1.3
303.04932	100.0
304.05295	3.3
315.04852	0.7
316.05896	0.2
345.05957	0.5
369.06097	0.3
447.08951	0.2
465.10156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01856	0.2
57.16415	0.1
59.08707	0.1
65.03919	0.3
67.01848	0.1
68.99777	0.6
69.03401	0.2
69.75928	0.3
69.76348	0.2
81.03387	0.3
85.02887	0.2
85.52657	0.1
93.03373	0.4
95.04935	0.4
97.02863	0.1
98.20670	0.1
105.03355	0.1
109.02852	0.5
111.00780	1.0
121.02849	1.1
123.04410	0.3
127.03854	0.2
131.04860	0.1
135.04391	0.2
137.02310	3.3
137.03316	0.1
137.35393	0.1
145.02812	0.1
145.06441	0.2
149.02313	0.5
153.01790	4.4
155.04897	0.2
161.05936	0.3
163.03880	0.6
165.01807	2.5
166.02574	0.4
173.05959	0.5
177.01923	0.1
177.05418	0.1
179.03320	0.1
183.02847	0.9
183.04370	0.4
187.03915	0.3
191.03333	0.2
191.06929	0.1
195.02864	0.2
201.05417	2.0
205.04927	0.3
207.02835	0.2
211.03923	0.1
213.05444	0.2
215.03365	0.1
219.02911	0.2
219.06430	0.3
228.04172	0.2
229.04909	5.3
230.05365	0.1
239.03314	0.2
245.04504	0.1
247.05931	0.8
257.04407	3.1
258.05402	0.1
274.04633	0.9
275.05356	0.2
285.03900	1.4
286.04492	0.2
303.04922	100.0
304.05249	2.6
436.26514	0.1
465.10141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
51.02370	0.4
52.13264	0.1
53.03931	1.3
56.07090	0.1
72.87088	0.1
74.78094	0.1
77.03905	0.5
79.05474	8.2
95.04952	2.3
98.20625	0.2
103.05445	6.5
105.07005	100.0
106.07334	1.4
116.44477	0.1
130.25507	0.1
146.09599	0.2
191.17874	0.1
248.20087	0.3
303.04935	0.2
360.32553	1.9
464.38782	56.9
465.39078	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01851	0.1
61.02913	0.1
65.03919	0.2
67.01859	0.1
67.05479	0.1
68.99433	0.1
68.99765	0.6
69.03400	0.2
70.06575	0.1
70.90754	0.2
73.02883	0.1
77.28058	0.1
81.03411	0.3
84.08125	0.1
85.02885	0.4
86.09687	0.1
90.76138	0.1
91.03950	0.1
93.03368	0.3
95.04963	0.3
97.02853	0.2
98.53208	0.1
99.04421	0.1
105.03319	0.1
105.06982	0.1
107.04893	0.1
109.02842	0.5
110.03583	0.1
111.00780	1.0
111.04453	0.1
121.02843	1.1
123.04385	0.4
127.03905	0.3
130.08643	0.1
131.04924	0.1
135.04401	0.2
137.02315	4.0
139.03888	0.2
145.02768	0.1
145.06432	0.2
147.04356	0.1
149.02284	0.5
151.03902	0.1
153.01793	4.7
155.04880	0.3
157.06523	0.1
159.04259	0.1
161.05969	0.3
163.03883	0.9
165.01801	2.4
166.02638	0.3
173.05949	0.5
177.01898	0.1
177.05536	0.1
179.03345	0.2
183.02858	0.9
183.04388	0.3
187.03902	0.4
191.03386	0.2
191.06984	0.1
195.02890	0.2
201.05432	1.9
205.04951	0.3
207.02873	0.2
211.03841	0.1
213.05565	0.1
215.03424	0.1
216.09866	0.1
219.02870	0.2
219.06477	0.4
228.04141	0.3
229.04910	5.6
230.05286	0.2
232.03766	0.1
239.03535	0.2
245.04395	0.1
247.05981	0.8
257.04404	3.4
258.04849	0.1
267.02786	0.1
267.11060	0.1
274.04678	0.9
275.05402	0.2
285.03882	1.5
303.04929	100.0
304.05264	2.9
315.04895	0.1
327.05231	0.1
331.04462	0.1
348.10834	0.1
369.05777	0.1
465.10178	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54825	0.2
55.05504	1.1
57.07069	2.8
57.44702	0.2
67.05491	1.8
67.45608	0.2
69.07059	2.4
71.08614	1.9
79.05465	0.9
81.03397	0.8
81.07047	2.3
83.04984	0.2
83.08575	0.5
85.02895	0.3
85.06502	0.3
85.10151	0.9
87.04448	0.4
91.05457	0.8
93.07023	0.9
95.04963	2.2
95.08591	1.6
97.08264	0.2
104.29019	0.2
105.07002	0.7
107.04954	0.4
107.08569	0.5
109.02866	1.8
109.06501	0.5
109.10138	0.8
113.64651	0.2
119.08611	0.3
121.06530	0.2
123.04401	1.8
125.05977	0.4
133.06425	0.3
136.05141	0.3
137.05995	0.4
138.09109	0.9
156.10228	0.3
169.36540	0.2
171.13818	0.5
203.17938	0.2
207.17404	2.0
226.78197	0.2
229.48219	0.3
235.16887	1.3
236.03560	0.2
249.18486	1.5
298.82840	0.2
303.04877	0.7
310.23776	1.6
361.30942	100.0
362.31311	4.1
390.27246	0.2
464.31961	0.8
464.37741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.8
62.08801	0.5
67.05489	3.1
69.07050	1.2
70.22711	2.7
71.08631	0.5
72.24673	0.5
79.05476	2.6
80.34464	0.5
81.07035	4.2
83.08595	1.4
85.06506	0.6
88.47588	0.5
91.05447	3.9
93.05759	1.2
93.07009	2.6
95.04968	0.8
95.08587	1.4
105.07024	1.4
107.04947	0.5
107.07346	0.8
107.08578	1.9
108.04458	0.8
109.10088	0.7
115.05434	2.0
117.05734	0.9
117.06974	3.2
118.06517	43.9
118.75426	0.6
119.08568	0.9
121.10115	1.2
122.09635	1.0
130.06525	0.7
131.08504	0.8
132.08051	1.3
133.10054	0.8
134.06007	1.2
135.07988	0.6
142.06516	4.2
143.07266	4.3
144.08057	22.4
145.06433	0.6
146.05977	100.0
147.06302	1.0
148.07576	1.4
157.12413	0.5
159.11737	0.7
160.07550	1.4
162.09132	1.6
164.10735	1.8
170.05977	6.8
188.07031	84.5
189.07405	1.0
234.18536	0.8
234.22092	0.8
253.30521	0.5
276.23172	85.2
277.23489	1.6
316.22714	1.2
334.23712	2.8
399.27103	0.5
445.29489	1.1
463.16260	1.1
463.29520	43.4
464.29626	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.9
56.04999	0.8
57.07055	2.0
61.02889	1.0
65.86496	0.2
67.05473	1.3
67.55799	0.3
68.05017	1.9
69.07043	0.8
69.12708	0.2
70.02922	1.4
70.21035	1.3
70.21465	0.4
71.08621	1.9
79.05472	0.6
80.04992	0.3
81.07047	1.6
82.02919	0.4
82.06555	2.2
83.08567	0.4
85.02882	0.7
85.10140	0.9
95.08595	1.7
96.04459	1.0
96.81779	0.3
97.02862	0.4
97.10172	0.3
107.08643	0.3
119.08529	0.3
137.02281	0.9
153.01772	0.8
155.01036	0.4
155.14284	0.5
165.01813	0.4
165.06941	0.8
177.07050	0.4
178.07755	1.1
179.08508	1.0
189.06961	51.4
190.07401	1.2
191.08511	3.9
193.06396	0.5
198.18509	14.8
201.05510	0.4
203.08508	0.5
204.08086	0.5
205.06522	0.4
206.07202	1.2
207.07933	1.9
208.16899	1.2
210.18532	0.5
215.08533	2.9
216.07895	0.4
217.06456	100.0
218.06938	2.5
219.08029	0.6
221.09561	0.8
223.07462	1.8
229.04955	1.1
230.09560	1.6
231.08157	1.0
231.10358	0.6
232.07500	0.9
232.11073	1.5
233.06131	0.7
233.08064	1.6
234.06735	3.4
235.07515	0.4
237.09064	0.7
240.19547	1.0
242.09686	0.6
243.08022	1.5
244.07248	0.3
245.08252	0.5
249.09090	47.3
250.09381	0.9
258.09048	1.0
259.09802	0.3
260.08295	0.2
260.10669	5.6
261.07800	16.2
262.08496	1.3
263.10587	1.2
264.10059	0.4
274.08694	0.3
275.07220	0.3
275.10574	1.0
276.10159	20.9
277.10690	0.7
286.08676	1.0
290.07428	0.3
292.13330	2.0
300.10342	0.3
302.97705	0.3
303.04965	10.8
311.25797	0.5
378.98615	0.3
386.24704	1.9
413.23627	0.3
414.24301	3.1
428.25897	2.2
446.26862	24.9
447.26910	1.1
464.27945	14.7
465.28543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50694	1.1
53.03925	4.9
54.30496	1.1
55.01865	12.0
55.05501	28.7
57.03428	13.1
57.07045	2.5
59.04966	2.5
64.01162	1.6
65.03917	2.5
67.05495	59.2
68.04985	1.1
68.05799	1.5
69.03403	2.0
69.06723	1.5
69.07054	16.1
71.01334	5.8
71.04994	7.8
71.80865	1.7
79.05480	64.8
79.95349	1.5
81.03403	22.2
81.07043	44.9
82.07384	1.7
83.01335	6.9
83.04504	1.5
83.04971	22.4
83.08603	12.1
85.02873	3.9
85.06514	4.7
87.01909	1.1
91.05470	33.4
93.07030	69.6
95.04407	1.2
95.04966	14.9
95.08591	13.9
97.02869	2.9
97.06515	16.9
97.10159	11.2
99.04453	2.8
99.08063	1.7
105.07026	17.1
107.04939	12.0
107.08578	44.2
109.06483	7.7
109.10152	7.3
111.04403	3.5
111.08044	4.5
117.06989	14.5
119.08566	14.4
121.06454	6.6
121.10130	15.1
123.08052	7.5
125.05948	1.8
125.09602	4.0
129.06969	2.9
130.07765	3.4
131.08527	4.1
133.10091	7.5
135.08092	2.8
135.11670	67.3
137.09566	4.6
143.08534	2.1
145.10112	24.0
147.08009	3.2
149.05992	1.5
149.09537	1.8
151.11119	1.8
153.01773	3.7
153.12726	8.2
155.08542	2.7
156.97836	1.4
159.11577	1.7
163.11151	36.7
173.09572	6.0
181.12210	20.4
191.10622	5.0
199.13158	2.8
209.11647	10.3
227.12732	9.7
255.15871	3.1
265.14316	3.9
363.45255	1.2
365.49115	1.5
419.24185	2.6
437.38226	1.5
439.38574	1.6
445.25931	4.6
463.17224	10.1
463.26749	100.0
464.27078	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	463.1227
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
57.03423	4.4
60.61847	0.4
65.95988	0.3
71.01357	0.5
71.04983	29.0
71.21186	0.8
73.02892	0.7
75.04473	0.8
83.04947	0.5
85.02894	30.1
86.03201	0.4
87.04471	0.9
89.55424	0.3
92.02612	0.6
93.03406	1.0
97.20082	0.3
111.04449	0.5
121.02853	0.9
129.05455	7.5
133.10136	0.7
137.05780	0.4
139.03905	1.0
147.06509	1.2
151.03899	0.8
153.01804	6.0
156.38509	0.4
165.01831	0.6
197.29918	0.3
218.05681	0.4
228.04170	1.1
229.04930	3.3
245.04376	0.9
246.05191	1.2
257.04459	1.8
273.03931	1.4
274.04718	3.4
285.03961	3.7
286.04510	0.6
301.06915	0.9
302.04193	10.3
317.06519	100.0
318.06879	4.1
345.06363	0.4
463.29642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1229
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
55.01849	0.1
57.03413	0.4
61.02919	5.4
61.48735	0.1
61.88346	0.1
63.95154	0.1
69.03419	0.9
71.61154	0.2
72.21651	0.2
73.02910	1.2
81.03404	0.4
84.29295	0.1
85.02892	4.7
91.03942	2.9
91.04510	0.1
95.04932	0.3
97.02308	0.2
97.02884	2.3
99.04422	0.2
105.03384	0.3
107.04925	1.1
109.02850	0.2
109.10131	0.2
115.03928	0.3
121.02830	2.3
123.00716	0.2
123.04433	0.2
124.01537	0.4
125.02320	0.2
126.84261	0.1
127.03894	0.8
133.02849	0.4
135.04369	0.2
145.04924	0.4
147.04358	0.5
151.03882	0.6
164.26733	0.2
167.03383	2.8
179.03430	0.8
184.05133	0.2
185.06023	0.2
197.04422	0.4
199.07588	0.2
212.04678	0.3
227.06978	0.8
245.08234	0.3
255.06531	0.4
257.04306	0.4
258.05228	5.2
272.06757	0.6
273.07532	0.3
279.48840	0.2
286.04672	4.6
301.07016	100.0
302.07385	2.8
373.90836	0.2
463.26584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75179	0.3
54.90003	0.3
55.05463	0.9
56.85366	0.3
57.07072	2.1
66.48580	0.3
67.05462	1.3
68.56860	0.2
68.94984	0.3
69.07064	2.1
70.10167	1.0
70.10582	0.5
71.08607	2.0
79.05421	0.9
81.03347	0.3
81.07053	1.8
83.08600	0.3
85.10169	1.4
91.05442	0.5
93.05768	0.3
93.06981	0.9
94.06520	1.3
95.04945	0.5
95.08591	2.0
105.06982	0.3
106.06520	2.2
107.07297	1.0
107.08515	0.6
109.10081	0.5
117.06979	0.5
118.06500	0.9
120.04426	0.6
120.08057	0.9
120.12745	0.3
122.05972	0.7
132.08032	0.7
134.05945	0.7
134.09604	0.6
135.06718	1.2
137.82794	0.3
141.80823	0.3
148.07529	1.6
149.08295	1.0
151.06248	0.3
160.07562	1.5
162.09114	0.8
164.07042	1.0
165.07872	0.3
174.09081	0.9
178.08574	0.4
183.05260	0.7
189.80132	0.3
193.07275	1.1
198.10094	0.3
204.28282	0.3
206.08127	2.0
206.18877	0.5
218.18935	1.6
220.20596	1.2
228.80844	0.3
232.20387	0.3
234.18465	0.4
246.18494	2.1
248.20065	3.1
260.20056	3.5
262.14142	0.3
262.21652	0.4
264.19519	0.8
272.20111	2.4
274.18005	0.3
274.21567	1.0
276.19510	0.5
286.21579	1.8
288.19446	1.3
288.22794	0.5
292.18997	2.9
298.21616	0.5
300.23132	0.5
306.20581	3.1
318.20547	0.9
356.29227	0.4
360.32520	8.2
361.33054	0.3
372.32587	3.5
374.34100	3.0
400.31824	22.0
401.32224	0.5
418.33099	60.5
419.33517	1.8
444.34976	0.7
462.35718	100.0
463.17523	0.4
463.36072	3.1
485.39645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20277	0.3
53.03942	0.4
55.01849	0.4
55.05491	0.4
57.03422	0.8
61.02919	0.4
61.66983	0.3
61.75983	0.3
67.05488	0.6
69.03416	1.7
69.07049	1.2
71.04978	2.0
71.81610	0.6
73.02913	2.0
79.05475	1.4
81.03423	0.8
81.07042	1.3
83.04942	0.6
85.02896	2.9
85.06525	0.3
87.04411	0.4
91.05457	1.9
93.07036	1.0
95.04964	0.8
95.08594	0.4
97.02866	1.3
97.06513	5.0
99.04424	0.6
100.11249	0.9
101.15012	0.3
105.03375	0.9
105.07010	3.6
106.02895	0.6
107.04948	2.3
107.08557	0.6
108.05278	0.6
108.58683	0.4
109.02878	0.5
111.04432	0.5
111.08037	0.6
115.03922	1.1
117.07061	0.5
118.07831	0.4
120.08109	0.5
121.02859	0.6
121.10152	0.5
123.04437	0.8
123.08014	0.6
124.03930	1.0
124.88969	0.4
127.03877	1.3
131.08589	0.5
133.10106	100.0
134.10426	1.6
135.04430	0.4
137.02290	0.7
137.05972	3.1
145.04910	0.4
147.04388	0.4
153.01845	0.4
163.03897	1.1
165.05499	2.1
169.10193	0.4
182.15341	0.4
189.09079	1.7
191.06963	0.9
193.04935	1.0
201.12781	0.3
207.10162	3.5
215.10648	2.1
219.95409	0.4
224.51282	0.4
229.04829	0.4
233.11703	8.6
247.13303	0.6
251.12787	3.3
258.05148	0.5
265.14288	2.2
268.08170	0.5
286.04727	1.9
299.09125	0.7
300.09473	1.9
301.07016	3.7
303.04932	3.5
304.05273	4.1
317.06494	2.8
317.13675	0.4
341.13672	0.5
341.99982	0.4
359.14853	1.4
364.95529	0.4
377.15894	1.1
462.04538	0.5
462.20078	1.0
463.12177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33900	0.3
56.05009	0.5
57.07066	2.3
61.49326	0.2
67.05466	1.1
68.04983	1.0
69.07039	0.8
70.02917	0.9
70.90200	1.0
71.08625	2.9
76.14580	0.3
81.07043	1.8
83.08598	0.5
84.04498	1.4
85.10184	1.4
85.10590	0.3
95.04922	0.3
95.08578	2.8
96.04470	0.4
98.06020	0.5
98.20753	0.3
112.07566	0.6
134.80093	0.3
137.34477	0.3
155.14247	0.7
165.06990	0.5
178.07703	1.4
179.06973	0.4
179.08513	4.1
189.06963	1.8
190.07745	3.5
191.08501	8.0
191.10173	0.4
192.09169	0.4
192.17439	1.2
193.06464	0.6
193.10077	0.9
194.07155	0.4
194.10773	0.5
202.07721	1.7
203.06752	0.5
203.08511	5.6
204.09305	1.4
205.06429	1.2
205.10103	4.0
206.07222	1.5
207.08018	7.6
208.08766	0.5
210.18491	17.9
211.18872	0.3
215.08517	0.7
217.06450	2.6
218.07227	7.6
218.76776	0.3
219.08006	14.2
220.08652	1.1
221.06157	5.1
221.09558	20.1
222.06776	1.4
222.10301	2.7
231.08040	0.6
232.08725	0.7
233.09560	7.8
234.10349	50.6
235.07491	45.1
235.10803	1.8
236.08252	6.9
237.09009	2.4
247.11093	0.4
248.08275	0.8
248.10631	0.3
249.09036	4.1
250.09845	58.7
251.10265	1.5
259.11148	0.5
264.86026	0.3
265.12186	86.0
266.12451	1.7
276.10184	1.3
276.13687	0.7
292.13257	18.6
308.16385	11.2
315.36053	0.3
350.21124	0.3
430.27405	0.8
462.29938	100.0
463.30283	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	462.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	3.0
69.03416	5.4
69.07059	1.0
70.55196	0.7
70.69653	1.4
71.04977	0.9
72.08157	1.1
75.53722	0.8
79.05490	1.8
81.03387	1.2
81.07050	1.3
83.04988	1.1
85.02894	5.1
86.09680	1.3
91.05473	3.2
93.07030	3.1
95.04948	5.3
95.08604	2.7
97.02863	1.8
97.06489	1.1
99.04425	0.9
105.07004	6.2
105.11596	0.9
107.04935	2.6
107.08595	3.0
109.02856	1.3
109.06477	4.1
109.10155	1.3
111.04418	4.5
111.08034	1.0
113.05982	2.5
117.06987	1.3
119.08559	10.2
121.02813	1.4
121.06487	5.0
121.10135	1.6
123.08056	3.5
124.07560	0.9
127.03889	1.6
129.07039	1.1
131.08527	4.2
133.10110	1.8
135.08009	7.6
137.05988	1.4
137.09598	2.1
138.05504	3.0
139.03865	2.1
139.07492	1.0
141.06943	1.2
142.07706	1.6
143.08571	1.8
145.04976	1.1
145.06454	1.8
145.10083	4.5
147.08040	5.2
147.11676	1.6
149.09554	1.5
153.01828	0.8
155.08559	1.1
156.25253	0.8
157.10104	1.4
158.07307	2.1
159.08067	6.3
159.11687	5.0
161.09610	7.1
163.03893	1.8
165.09076	4.0
169.10210	0.8
171.11681	1.8
172.08813	2.0
173.09604	2.7
173.13235	3.6
175.07507	9.6
175.11113	4.5
180.70015	0.8
183.11646	2.2
185.09633	1.3
187.11137	5.5
189.09119	2.4
189.12775	2.2
193.08612	2.4
196.08823	1.4
199.11183	3.4
201.12737	4.5
203.10675	5.2
211.11185	4.1
217.12227	3.8
219.13719	1.7
229.12157	4.3
235.13228	1.4
245.09225	0.9
247.13266	18.7
265.08600	2.4
265.14307	100.0
266.14548	1.1
269.11804	1.0
283.09610	2.8
300.12506	0.9
300.15857	2.0
462.21463	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	462.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	3.0
69.03416	5.4
69.07059	1.0
70.55196	0.7
70.69653	1.4
71.04977	0.9
72.08157	1.1
75.53722	0.8
79.05490	1.8
81.03387	1.2
81.07050	1.3
83.04988	1.1
85.02894	5.1
86.09680	1.3
91.05473	3.2
93.07030	3.1
95.04948	5.3
95.08604	2.7
97.02863	1.8
97.06489	1.1
99.04425	0.9
105.07004	6.2
105.11596	0.9
107.04935	2.6
107.08595	3.0
109.02856	1.3
109.06477	4.1
109.10155	1.3
111.04418	4.5
111.08034	1.0
113.05982	2.5
117.06987	1.3
119.08559	10.2
121.02813	1.4
121.06487	5.0
121.10135	1.6
123.08056	3.5
124.07560	0.9
127.03889	1.6
129.07039	1.1
131.08527	4.2
133.10110	1.8
135.08009	7.6
137.05988	1.4
137.09598	2.1
138.05504	3.0
139.03865	2.1
139.07492	1.0
141.06943	1.2
142.07706	1.6
143.08571	1.8
145.04976	1.1
145.06454	1.8
145.10083	4.5
147.08040	5.2
147.11676	1.6
149.09554	1.5
153.01828	0.8
155.08559	1.1
156.25253	0.8
157.10104	1.4
158.07307	2.1
159.08067	6.3
159.11687	5.0
161.09610	7.1
163.03893	1.8
165.09076	4.0
169.10210	0.8
171.11681	1.8
172.08813	2.0
173.09604	2.7
173.13235	3.6
175.07507	9.6
175.11113	4.5
180.70015	0.8
183.11646	2.2
185.09633	1.3
187.11137	5.5
189.09119	2.4
189.12775	2.2
193.08612	2.4
196.08823	1.4
199.11183	3.4
201.12737	4.5
203.10675	5.2
211.11185	4.1
217.12227	3.8
219.13719	1.7
229.12157	4.3
235.13228	1.4
245.09225	0.9
247.13266	18.7
265.08600	2.4
265.14307	100.0
266.14548	1.1
269.11804	1.0
283.09610	2.8
300.12506	0.9
300.15857	2.0
462.21463	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	462.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29332	0.2
53.03933	0.6
55.01861	0.3
56.05019	0.2
57.88748	0.2
59.04997	0.2
60.04509	0.2
67.05502	0.3
69.03408	0.4
70.15611	0.5
70.16025	0.8
72.08148	0.7
74.06088	0.3
77.03925	0.3
79.05483	0.4
81.61485	0.2
82.06542	0.2
83.04967	0.4
84.04507	0.4
84.08137	0.6
85.02879	0.9
85.51555	0.2
86.09708	0.5
89.03905	0.4
91.05450	2.8
93.07034	5.0
95.04942	2.1
97.02917	0.4
103.05450	3.1
103.35715	0.2
105.04491	0.3
107.04935	0.7
111.04440	1.1
121.06485	100.0
122.06851	1.8
123.04414	0.6
123.14861	0.2
127.03947	0.3
129.05460	0.3
129.10274	0.3
135.04402	1.9
138.05550	0.6
138.09119	34.4
139.03873	0.6
139.09430	0.5
145.04973	0.2
147.04388	0.2
152.07047	1.4
153.05464	0.4
157.04985	0.3
163.03902	3.5
164.04204	0.3
167.05499	0.2
167.62810	0.2
173.08566	0.2
174.98425	0.5
175.06050	0.5
180.97444	0.3
182.02438	0.2
198.98492	2.9
199.73404	0.2
207.02856	0.3
216.99582	1.1
223.07143	0.3
227.62872	0.2
228.99545	0.5
229.07872	0.2
240.99583	0.6
245.04903	0.4
259.00555	0.5
261.19775	0.3
265.08545	0.7
265.14285	0.2
283.09616	0.9
300.11893	0.3
301.01657	0.8
327.10892	0.2
345.45682	0.2
463.07211	0.3
485.01260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20277	0.3
53.03942	0.4
55.01849	0.4
55.05491	0.4
57.03422	0.8
61.02919	0.4
61.66983	0.3
61.75983	0.3
67.05488	0.6
69.03416	1.7
69.07049	1.2
71.04978	2.0
71.81610	0.6
73.02913	2.0
79.05475	1.4
81.03423	0.8
81.07042	1.3
83.04942	0.6
85.02896	2.9
85.06525	0.3
87.04411	0.4
91.05457	1.9
93.07036	1.0
95.04964	0.8
95.08594	0.4
97.02866	1.3
97.06513	5.0
99.04424	0.6
100.11249	0.9
101.15012	0.3
105.03375	0.9
105.07010	3.6
106.02895	0.6
107.04948	2.3
107.08557	0.6
108.05278	0.6
108.58683	0.4
109.02878	0.5
111.04432	0.5
111.08037	0.6
115.03922	1.1
117.07061	0.5
118.07831	0.4
120.08109	0.5
121.02859	0.6
121.10152	0.5
123.04437	0.8
123.08014	0.6
124.03930	1.0
124.88969	0.4
127.03877	1.3
131.08589	0.5
133.10106	100.0
134.10426	1.6
135.04430	0.4
137.02290	0.7
137.05972	3.1
145.04910	0.4
147.04388	0.4
153.01845	0.4
163.03897	1.1
165.05499	2.1
169.10193	0.4
182.15341	0.4
189.09079	1.7
191.06963	0.9
193.04935	1.0
201.12781	0.3
207.10162	3.5
215.10648	2.1
219.95409	0.4
224.51282	0.4
229.04829	0.4
233.11703	8.6
247.13303	0.6
251.12787	3.3
258.05148	0.5
265.14288	2.2
268.08170	0.5
286.04727	1.9
299.09125	0.7
300.09473	1.9
301.07016	3.7
303.04932	3.5
304.05273	4.1
317.06494	2.8
317.13675	0.4
341.13672	0.5
341.99982	0.4
359.14853	1.4
364.95529	0.4
377.15894	1.1
462.04538	0.5
462.20078	1.0
463.12177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.2
55.01863	2.6
57.03414	2.0
61.02911	3.1
69.03421	15.6
70.06578	1.3
71.04970	4.4
73.02892	4.1
76.99036	1.2
77.76489	1.1
81.03405	16.6
81.07022	1.8
83.04973	1.3
84.04488	9.7
85.02888	69.0
86.06059	3.6
86.09686	5.3
87.04466	1.6
88.54305	1.2
91.05442	3.8
95.08559	1.9
96.04433	2.1
96.71751	1.4
97.02879	34.4
97.81080	1.3
98.06046	1.8
99.04435	41.2
103.03920	78.6
105.03366	2.6
107.08628	1.3
109.02855	22.4
109.10143	2.5
110.07130	2.8
111.04446	1.9
111.08054	2.0
113.80954	1.3
114.05502	5.7
117.06973	1.6
119.04912	2.0
121.02898	1.4
121.06477	3.3
126.05465	6.9
127.03890	100.0
137.05954	1.5
137.09622	3.1
138.05473	8.1
139.03886	1.4
145.04938	52.5
147.04384	4.1
154.53012	1.4
155.10637	2.4
156.10988	1.7
157.06447	3.9
163.05997	55.2
163.07338	2.5
163.14764	1.7
168.06502	4.6
169.04883	2.1
186.07629	3.5
187.05963	5.2
189.09041	4.3
205.06937	1.8
206.07339	1.7
207.08118	2.8
207.10123	3.7
215.10493	2.1
217.06651	1.9
218.07095	2.0
219.07950	2.0
221.09607	3.0
224.94284	1.6
233.11627	1.4
234.10364	8.2
235.07413	8.7
235.13190	2.0
238.09958	3.0
247.09877	1.6
247.13213	2.1
250.09880	10.5
265.12088	24.9
265.14365	3.7
271.08029	12.4
280.13318	3.3
282.14789	2.0
283.15500	1.8
289.09161	9.9
303.04962	3.5
307.09930	7.5
384.10403	2.7
430.11072	2.3
434.14099	2.4
445.13010	2.0
462.13617	23.8
462.20593	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	462.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.2
53.03924	2.8
55.01853	1.1
55.05497	1.3
57.03413	1.1
65.03913	1.3
69.03419	8.2
69.90417	3.7
71.04976	1.6
73.02893	1.1
74.09699	1.7
78.03442	12.5
80.04998	2.6
81.03403	16.8
85.02893	8.6
89.03915	5.7
90.96974	0.7
91.05445	3.6
93.03381	1.5
96.04483	4.2
96.05022	0.7
97.02890	5.8
99.04436	4.1
100.11240	2.3
103.03915	2.0
103.05392	0.8
106.02896	57.9
109.02860	10.9
111.04423	2.8
117.03363	16.9
119.04926	2.5
121.10109	0.7
124.03932	100.0
125.04309	0.9
125.05975	4.3
127.03896	9.7
134.03625	1.4
135.04384	2.0
145.02824	43.5
145.04948	2.0
146.03186	1.0
147.04343	1.0
147.85957	0.7
149.05971	7.6
150.04683	0.6
151.07520	29.8
153.05432	15.1
162.03160	1.2
163.03877	1.7
163.05948	1.4
166.04977	0.7
177.05444	67.4
182.15341	1.0
186.05508	1.1
195.06505	11.3
196.05920	1.2
210.14885	1.2
232.05934	1.2
234.69762	0.6
250.07072	25.7
250.09697	1.4
268.08118	69.0
269.08539	1.5
303.04956	1.5
391.08307	0.7
444.12762	9.5
453.34210	1.5
462.13889	13.5
462.20285	0.8
462.34564	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2889
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.00887	0.9
53.03929	3.7
55.01859	3.4
55.05500	14.1
57.03429	5.1
57.07066	2.1
67.05495	36.8
69.03404	1.1
69.07068	11.0
70.32087	4.9
71.04998	2.8
71.08619	1.3
71.42157	0.9
79.05482	32.1
79.72673	0.8
80.05800	1.1
81.03409	32.1
81.07044	42.7
83.04964	6.7
83.08594	10.7
85.02866	1.0
85.06537	3.4
91.05465	27.7
93.07030	30.7
95.04952	22.0
95.08591	16.1
97.06519	5.0
97.10156	7.7
99.08066	1.8
105.03350	1.2
105.07015	20.7
106.37503	0.9
107.04945	9.9
107.08578	16.1
109.06505	5.4
109.10143	5.8
111.08057	5.5
115.05412	1.8
116.06232	0.9
117.07001	10.5
117.46906	1.0
119.04929	1.3
119.08566	11.1
121.06485	9.6
121.10124	8.7
123.08080	3.6
123.11714	1.4
125.09603	5.9
128.06213	2.1
129.06989	10.6
131.04922	1.8
131.08551	17.5
133.06476	4.3
133.10112	8.5
135.04422	1.0
135.08093	2.3
135.11678	3.8
137.03345	1.1
137.09616	1.7
141.06934	2.7
142.07747	3.4
143.08543	5.4
145.06477	8.2
145.10095	6.4
147.07982	4.9
147.11699	5.4
149.09601	4.0
149.13246	9.5
155.08586	3.1
155.42101	1.0
157.10080	6.7
159.08029	2.9
159.11642	7.9
161.06065	1.2
161.09718	1.1
163.11200	3.1
167.08545	1.4
169.10115	2.9
171.08083	1.3
171.11620	2.2
173.09634	1.8
173.13234	1.1
175.11191	5.1
177.12701	4.6
181.10150	2.3
183.11719	2.4
185.09523	0.9
185.13322	2.5
187.11189	1.5
189.11195	3.8
193.12202	11.5
194.10944	1.2
195.11836	1.1
195.13808	3.6
197.09769	1.2
197.13274	1.9
199.14767	3.0
201.12910	1.2
205.12125	1.2
209.13293	1.0
213.12857	1.2
215.14407	1.1
217.15901	5.4
227.12663	2.4
231.13789	1.3
249.14879	3.2
257.15442	1.7
284.02591	1.0
323.23801	1.5
341.24716	2.9
343.22711	2.4
351.23145	7.8
369.24203	16.1
387.25195	8.7
405.26172	2.2
407.25439	1.3
417.26315	6.4
425.26785	1.8
431.27957	1.1
443.27933	23.8
444.28149	1.6
461.28946	100.0
462.29358	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	461.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18709	0.3
52.02438	0.3
53.03932	1.0
57.03414	0.3
62.61220	0.3
63.71021	0.3
69.03418	0.5
71.04990	0.5
71.34119	0.7
79.05474	0.9
81.03410	0.8
85.02898	0.8
93.07014	0.6
95.04942	1.5
97.02864	0.9
103.03912	0.5
105.49883	0.4
106.02911	0.9
107.04938	100.0
108.05270	0.9
109.02872	1.0
117.03316	0.4
121.02854	1.3
121.87685	0.3
124.03931	1.3
131.04906	0.3
133.10152	0.4
137.02309	0.8
139.72539	0.3
145.02815	0.9
151.03877	0.4
161.05945	0.4
165.01833	1.4
173.09705	0.3
177.05470	1.3
179.03362	0.6
183.02963	0.6
184.46231	0.4
184.81570	0.4
189.05443	2.6
192.04097	0.7
193.04948	0.8
196.51878	0.3
203.07043	1.4
204.04160	0.4
205.04941	17.3
206.05679	1.3
217.04922	3.5
217.08607	0.7
227.06967	1.1
229.04907	0.7
230.05801	0.6
231.02924	0.5
231.06468	5.6
232.06929	0.4
235.03618	0.7
235.05975	13.1
238.98003	0.4
245.08086	2.9
250.06769	0.3
254.05684	0.4
255.06383	0.8
259.05984	2.5
268.08127	1.1
269.37640	0.3
271.05951	2.0
282.05212	0.7
283.05994	1.3
299.09103	2.0
301.07050	2.0
311.09088	38.8
312.09500	1.1
315.03601	0.4
323.08997	1.6
325.10513	0.4
335.08875	0.3
337.07071	0.7
337.10666	3.0
341.10159	34.2
342.10562	0.9
351.12274	3.3
365.10153	24.8
366.10400	0.6
377.10190	4.7
379.11780	1.2
389.10098	4.7
395.11206	14.1
396.11588	0.5
407.11230	10.5
425.12280	12.0
426.12460	0.4
426.69852	0.4
441.60977	0.4
443.13309	7.5
461.04880	1.3
461.14386	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	461.1434
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
51.02346	0.5
51.95167	0.4
53.03930	0.5
69.07072	0.4
69.27396	0.4
70.43196	1.5
73.02909	0.6
75.70002	0.3
79.05479	1.4
81.03413	0.6
81.06996	0.4
85.02867	0.9
89.34972	0.3
91.05466	1.3
95.04945	1.4
97.06516	0.4
105.03359	0.5
107.04937	100.0
108.05251	1.3
121.02874	0.4
121.06587	0.4
122.01726	0.4
161.05988	0.7
165.01807	0.9
165.05499	0.6
183.02885	0.5
193.04919	0.8
205.04929	12.0
205.06818	0.7
206.05710	4.1
213.05504	0.5
216.04118	0.6
217.04959	3.2
219.06418	2.2
230.05779	0.5
231.06560	1.1
233.04364	0.6
234.05254	0.4
235.05983	17.5
236.06575	0.5
241.05035	0.8
243.02899	0.8
245.04346	0.6
245.08063	3.4
247.06001	1.2
258.10422	0.4
259.05984	5.2
261.03949	0.6
265.07135	0.6
273.07590	1.5
277.07083	0.5
289.07074	1.8
295.09653	0.7
298.74762	0.4
299.09079	0.7
301.07077	1.5
311.09103	10.3
312.09641	0.6
319.08157	1.7
323.09058	2.4
337.10107	0.5
339.08392	0.4
341.10159	17.0
342.10596	0.6
351.12250	0.6
353.10062	0.4
361.02094	0.5
365.10114	5.9
371.11142	1.1
373.06955	0.4
379.11853	1.3
383.11319	0.6
395.11200	7.0
407.11227	2.4
425.07977	0.3
425.12280	9.9
443.13290	21.6
444.13577	0.6
461.14340	44.2
462.14551	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67619	0.2
55.05480	0.8
55.77738	0.3
57.07070	5.3
67.05494	2.8
69.07024	1.1
71.08621	7.5
71.40031	0.6
79.05449	0.5
81.07044	5.5
83.08614	0.3
85.09732	0.3
85.10167	4.0
95.08591	5.7
97.24796	0.3
105.87421	0.3
140.67445	0.3
152.06071	0.3
155.14250	0.6
185.86002	0.3
209.08293	0.5
220.07433	0.4
221.05994	0.3
224.07011	0.5
233.08327	1.4
234.09076	2.4
235.09654	0.3
237.07800	0.9
245.08369	0.5
248.07033	2.8
249.05461	2.5
249.07773	0.6
250.06120	0.5
261.07690	1.4
262.08606	11.5
263.09393	3.7
264.10071	0.3
273.07996	0.4
274.08636	2.8
275.09250	0.7
276.06598	1.0
277.07346	2.1
278.08377	0.3
278.11774	1.1
285.07739	0.3
288.06485	0.4
290.08066	25.8
291.08853	32.4
292.09500	1.6
299.09399	0.6
300.10043	1.5
305.10355	0.5
306.11200	100.0
307.11560	3.1
308.59415	0.3
313.40057	0.3
328.09689	4.3
343.12302	0.7
442.23642	0.9
445.22095	0.7
446.23288	0.5
460.24771	80.0
461.25192	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	460.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34130	0.3
55.05497	2.6
55.10946	0.3
57.03401	0.7
57.07073	1.7
57.07286	0.4
57.33488	0.3
59.04989	2.4
67.05454	1.2
69.03402	0.4
69.07027	1.2
70.13126	0.6
70.13538	1.2
71.08576	1.1
79.05469	0.8
81.03376	0.4
81.07008	1.5
83.04929	0.3
89.05984	0.9
91.05421	0.9
93.05745	1.4
93.06994	1.0
94.06509	0.6
95.04884	0.6
95.08553	1.0
97.02858	0.5
105.06969	1.4
106.06548	2.2
107.07271	1.1
107.08537	0.4
109.10094	0.5
118.06475	0.6
120.08098	1.7
121.08847	0.4
121.10051	0.6
122.06021	1.9
125.04644	0.7
125.09533	0.5
129.06917	0.6
131.08517	0.4
133.10066	0.6
134.05867	0.4
134.09612	0.7
135.06775	3.5
135.07765	0.6
136.07501	0.5
141.68922	0.3
148.07579	2.9
148.11198	0.4
149.08322	0.6
149.09531	0.4
162.09099	0.5
162.12756	0.4
191.10635	1.2
192.10979	0.7
206.17337	0.3
206.19012	2.1
218.19014	2.1
220.20567	0.9
232.20496	1.7
234.18544	2.1
244.20638	1.0
248.04478	0.6
248.20073	17.0
258.22150	0.6
260.20071	3.3
262.21686	0.8
263.07065	1.6
273.51465	0.3
283.06268	1.0
301.07101	0.7
306.07858	0.5
306.11102	0.5
322.21237	0.4
342.31479	1.4
360.32547	78.0
361.32867	2.5
363.30966	0.8
443.27744	0.7
444.05814	0.3
460.37793	100.0
461.29086	1.5
461.38135	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	460.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32735	1.9
51.89645	1.9
52.11143	2.2
53.03923	2.0
55.77257	2.2
57.84166	2.0
65.36636	2.2
67.05495	4.6
69.03407	8.1
69.52166	23.1
70.06561	5.6
72.08125	3.8
73.09971	2.1
76.97087	2.5
79.05470	3.4
81.03378	2.8
81.07030	4.9
83.04950	6.7
84.04471	3.3
84.08109	5.3
85.02901	12.7
86.09666	6.6
89.06006	4.8
91.05457	7.7
91.59165	2.3
93.07022	8.5
95.04961	4.4
95.08613	2.7
97.02871	5.7
99.04434	3.1
105.07012	14.6
107.04884	2.4
107.08537	6.3
109.06489	3.9
109.94369	2.0
111.04420	3.3
112.58509	2.6
113.02338	7.2
119.04917	7.0
119.08575	7.1
121.02817	4.1
121.06483	22.7
123.04356	2.9
123.08112	2.2
123.11662	2.5
127.03876	6.0
129.05479	2.3
129.06963	3.9
130.04962	3.5
131.08524	3.2
133.06456	8.2
133.10059	2.9
135.08022	16.8
143.08481	2.6
145.04936	2.3
145.10069	6.7
147.04364	31.8
147.07822	4.4
149.05846	2.3
149.09554	4.3
151.11139	10.4
156.09302	4.6
157.10080	3.4
159.07965	3.9
159.11661	22.7
161.05928	8.1
161.09526	2.2
163.07484	3.1
163.11108	7.5
171.11679	5.2
172.08530	2.4
173.09596	3.4
175.07471	7.6
175.11125	5.0
177.12654	4.5
179.07086	2.3
181.08456	3.4
182.07179	2.4
184.08809	4.2
185.09541	2.5
187.11153	7.4
189.05301	5.0
189.06937	54.6
189.12709	8.2
190.07263	3.7
193.08562	8.4
199.11110	10.3
203.10637	8.4
205.12201	10.8
212.08228	2.9
215.10646	4.0
217.06451	100.0
217.12184	10.8
218.06744	3.9
227.10608	15.8
233.11694	33.6
235.13228	2.9
245.11673	59.7
249.09064	26.2
251.12747	51.3
263.12732	86.5
280.13257	58.5
281.13885	12.7
298.14426	2.6
316.42184	2.3
442.17654	3.1
460.09616	3.8
460.19333	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	460.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	4.1
55.01852	6.3
55.05505	13.5
57.07066	34.6
60.04510	7.2
67.05496	27.4
68.04998	3.9
69.03416	5.2
69.07066	13.5
70.02952	3.5
70.06559	2.9
70.53330	6.0
70.53716	3.8
71.08616	37.5
73.02903	2.6
74.06059	3.8
78.24634	2.5
79.05488	13.9
80.05820	3.2
81.03400	8.3
81.07048	43.0
81.21741	2.7
83.04952	5.9
83.08610	4.4
85.10168	23.2
87.08087	5.8
88.03972	7.8
88.07641	3.0
91.05461	7.9
92.10423	2.8
93.07028	9.9
94.94653	2.7
95.04967	10.5
95.08591	35.1
96.04487	4.3
97.02901	2.9
98.06005	4.2
98.21373	2.7
99.17151	2.7
105.03368	3.4
105.06996	5.4
107.04918	4.1
107.08569	8.5
108.04441	3.3
109.10137	4.8
116.03420	12.2
117.06968	2.7
117.86871	2.3
119.08577	6.9
121.02842	5.3
121.06478	5.6
121.10091	4.0
121.79533	2.7
122.06052	2.8
123.04423	6.3
124.03978	13.6
124.07576	7.7
125.09559	2.9
126.05489	6.5
127.83201	2.5
129.06862	3.0
130.06512	5.4
131.08528	6.1
133.06540	3.2
133.10141	6.3
134.05992	9.4
135.08025	3.9
135.11702	5.7
137.13295	3.1
138.05492	3.6
139.03899	2.6
142.04930	5.0
146.05997	3.3
150.05475	3.2
151.07523	12.1
152.03391	26.1
152.06978	15.7
154.04948	4.2
155.14273	12.5
157.10136	3.8
162.05490	9.1
164.03444	5.0
164.07033	4.8
170.04448	4.0
172.06111	3.9
175.11221	3.4
177.09079	3.0
180.02913	14.3
180.06535	41.8
188.06969	4.3
190.05014	4.2
193.12141	4.4
198.03955	31.2
198.07564	5.0
208.06032	36.4
210.03874	3.6
226.07088	38.7
236.05632	3.7
242.06557	3.9
250.18166	3.4
270.06049	5.9
278.17435	7.9
288.07114	11.3
298.10126	4.4
303.05139	3.8
306.16977	28.5
324.18063	4.2
326.19482	11.3
332.18265	3.0
334.16428	8.1
338.19669	3.4
352.17490	100.0
352.21097	4.2
362.19565	47.7
368.22818	7.1
370.18469	5.0
378.18918	5.6
380.20523	20.2
386.24112	6.5
424.19611	89.0
424.25278	6.2
428.33667	6.3
442.20566	9.9
442.26190	3.8
460.21445	21.7
460.27646	39.3
460.36267	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	460.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01854	0.8
55.05489	0.2
57.03410	0.6
58.59744	0.2
58.97043	0.2
61.02918	0.5
67.05489	0.4
68.99773	0.3
69.03423	2.8
69.07028	0.3
70.06583	0.3
70.27543	0.2
71.04976	0.6
71.81438	0.3
73.02896	0.6
79.05489	1.0
81.03413	2.7
81.07054	0.6
82.03707	0.2
85.02894	8.0
86.09700	0.4
87.00816	2.6
91.05468	5.1
93.07018	0.8
94.58587	0.2
95.04948	0.5
95.08605	0.3
97.02885	2.6
97.06528	0.3
99.04437	1.8
100.11269	0.2
103.03926	1.8
103.05451	1.0
104.06239	0.8
105.01855	2.5
105.07042	0.4
107.04941	1.9
107.08530	0.3
108.04449	0.9
109.02862	3.2
109.10121	0.2
114.09116	0.3
115.05474	0.5
117.06999	1.6
119.08563	100.0
120.08119	0.3
120.08887	2.1
121.06537	0.3
126.05486	0.4
127.03897	6.6
128.48123	0.2
129.01794	0.4
131.08519	0.3
133.10089	0.4
135.08029	0.8
142.07698	0.2
143.08501	0.2
145.04932	3.9
145.10094	0.4
149.09596	0.3
157.10133	0.6
159.02859	1.3
161.09532	0.3
163.06021	0.9
163.07530	2.9
165.09142	1.0
166.09422	0.6
167.07024	1.5
169.10045	0.3
171.11670	0.2
173.09541	0.9
177.09068	0.2
185.09552	0.9
187.07634	0.2
191.10826	0.2
195.10132	7.9
196.10435	0.3
196.25969	0.2
199.11124	0.5
203.10652	0.3
209.09653	0.5
219.10132	0.3
227.10651	1.3
231.04973	0.8
245.11691	1.1
247.08081	1.0
248.07643	0.6
263.12814	1.2
303.12244	0.3
305.13800	0.3
368.22870	0.2
460.27652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67297	1.1
57.03428	2.1
61.02912	2.2
69.03426	1.6
71.81447	2.0
71.81809	1.3
72.08141	2.2
73.02887	5.6
79.05488	1.7
81.03403	1.5
82.85940	1.2
85.02892	4.6
86.09666	1.6
91.05460	14.7
95.04942	2.6
97.02895	2.7
103.03944	1.9
105.03374	6.2
107.04940	100.0
109.02871	3.2
127.03892	4.0
145.02783	2.1
145.04922	2.7
147.04451	1.3
167.06973	2.0
177.05470	7.7
205.04945	10.2
206.05757	3.9
217.04819	3.1
219.06549	2.3
231.06425	1.4
232.08780	2.2
233.06064	1.7
235.05972	14.5
245.07968	3.0
248.08322	2.0
259.06030	4.0
259.09512	1.2
263.10577	4.6
280.13138	1.9
281.30072	1.4
287.05435	5.5
290.76248	1.5
295.09750	1.7
301.06955	2.1
303.04990	5.3
311.09073	12.3
319.08188	2.4
323.09091	2.8
327.03271	1.4
341.10126	16.2
361.02228	6.1
363.17581	1.6
365.10080	7.8
377.01535	3.1
379.03299	2.9
395.06363	1.5
395.11002	7.4
407.11298	3.8
425.12314	9.8
442.14359	1.6
443.13446	17.3
461.08102	2.0
461.14322	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.01855	8.6
55.05500	11.2
56.05822	2.6
57.03418	1.7
57.07061	24.9
60.04512	6.4
67.05494	17.2
68.05011	2.7
69.03424	2.1
69.07056	15.1
70.02926	5.1
70.15918	5.8
70.16344	1.7
71.08619	31.2
76.31081	1.2
79.05479	12.9
80.05824	2.6
80.77777	1.2
81.03402	6.7
81.07043	27.5
82.03728	2.0
83.04976	2.0
83.08593	7.4
85.10164	14.1
88.03976	12.7
90.43980	1.1
91.05436	6.6
93.03407	2.4
93.07011	7.5
95.04933	5.2
95.08584	27.1
96.04468	3.6
96.08129	1.5
96.08911	2.0
97.06518	2.6
97.10155	4.4
98.06020	2.3
98.20631	1.4
102.97353	1.1
105.06997	4.6
106.04989	3.6
106.06534	3.1
106.07180	1.3
107.04924	4.2
107.08578	4.9
108.04501	1.6
108.05247	2.3
109.02856	3.0
109.06493	2.4
109.10123	3.3
110.10464	1.4
111.04414	1.6
112.03913	1.3
116.03430	24.7
117.06972	2.6
117.77004	1.6
119.08559	2.2
121.02835	3.8
121.06483	4.2
122.05994	1.8
122.06812	1.5
123.00732	1.9
123.04398	5.0
123.08074	2.1
124.03908	12.3
124.07558	3.4
125.09600	3.6
126.05489	1.4
130.06453	2.7
131.08517	3.0
133.06448	2.4
133.10091	2.0
134.05980	6.7
135.06769	1.5
135.07965	1.4
136.03845	1.8
137.02271	1.8
137.13206	1.7
138.05489	4.4
139.03874	1.4
142.04930	2.2
145.06430	5.5
146.06799	1.9
148.03825	1.8
150.01775	1.8
150.05431	1.3
151.03802	2.1
152.03389	19.2
152.07033	8.8
153.01849	1.2
153.12694	5.3
154.05005	3.0
155.14264	4.7
157.10118	1.7
159.08005	1.5
162.05499	3.8
164.03416	3.2
166.04955	4.7
168.02849	4.1
170.04524	1.7
172.06021	5.1
178.04959	4.2
180.02884	17.5
180.06482	17.4
182.04489	2.5
184.06044	2.2
186.85367	1.2
190.04947	2.7
192.06474	1.6
193.12270	2.8
194.04402	2.8
196.06073	2.4
198.03928	5.0
198.07608	4.0
206.04384	2.4
208.02321	2.0
208.06015	13.7
210.03964	1.9
214.03427	6.8
222.07480	1.6
224.05501	3.4
226.03456	1.6
226.07065	23.4
234.15599	1.9
236.05722	1.6
242.02928	3.9
244.08139	7.2
250.18028	3.1
254.06517	1.9
260.07672	3.1
265.08698	2.3
272.07504	3.0
273.14914	1.9
274.15012	3.7
278.17365	3.9
288.07059	6.3
288.15958	2.7
290.08664	5.3
292.15314	1.8
296.18460	2.9
297.11359	1.4
298.05487	2.7
306.16928	44.4
309.16940	2.7
316.06454	6.0
316.15454	2.8
326.19717	1.5
327.17966	3.3
334.16367	11.2
340.23538	1.6
341.14819	1.6
342.19070	6.9
350.21875	3.7
352.17480	53.6
353.17661	1.7
354.18765	2.2
362.19440	5.4
367.22723	1.9
368.16870	3.2
368.23187	9.4
378.19080	2.0
380.20584	34.1
385.23990	1.6
386.23788	11.2
386.27466	1.2
396.20090	3.9
398.21674	7.4
406.18488	4.5
414.21167	10.4
424.19748	7.1
424.24780	1.7
442.20651	63.0
442.26404	2.9
460.21576	100.0
460.27725	35.7
461.22537	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
57.03434	1.7
60.04502	0.6
61.02924	0.9
61.06699	0.6
69.03419	6.0
69.87099	4.4
70.06570	1.2
71.04979	17.6
74.56490	0.6
81.03403	7.7
83.04969	1.3
85.02385	0.8
85.02884	9.9
85.50238	0.6
86.09687	1.7
86.60300	0.6
89.06016	100.0
91.05471	2.4
93.06993	0.7
95.04958	0.8
97.02876	30.7
98.21403	1.1
99.04443	5.6
107.04975	0.6
109.02863	11.0
111.04415	2.0
115.03927	0.7
117.05448	0.9
119.04926	5.6
123.04361	0.7
127.03896	13.7
135.06503	25.3
145.04927	13.8
147.04384	42.5
165.05472	1.6
168.76521	0.7
171.04391	1.0
175.08623	1.3
176.08955	1.3
179.57686	0.7
189.05417	2.4
189.07083	2.3
197.08054	2.3
203.10686	0.8
215.09126	2.5
217.06529	3.5
231.10190	0.6
233.10106	0.7
243.08589	4.2
249.09068	0.8
249.11403	1.0
261.09671	11.9
263.09241	0.6
279.10626	5.8
280.13400	1.9
298.14734	1.6
309.09338	0.7
342.75699	0.7
397.53003	0.6
407.13391	2.4
425.14395	3.5
460.18893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.01862	8.2
55.05514	1.7
57.03426	5.3
60.04506	1.5
61.02909	4.5
65.03930	1.1
67.05499	1.6
67.74625	0.9
68.99781	1.8
69.03418	24.7
69.07056	1.7
69.61350	1.5
69.61757	8.5
70.06578	1.1
71.04990	4.3
73.02919	7.2
79.04951	0.9
79.05470	3.5
81.03402	28.1
81.07038	2.9
83.01333	1.2
83.08589	1.0
83.52348	0.9
85.02892	73.4
86.09698	2.1
87.00816	24.1
87.04450	1.1
91.03947	1.4
91.05486	6.1
93.07030	2.7
95.04939	2.2
95.08604	3.5
96.08911	1.1
97.02878	25.8
97.03526	1.3
97.06530	3.8
98.06093	1.0
99.04440	12.5
103.03947	5.8
103.05453	4.6
104.07079	1.5
105.01849	26.4
105.03387	7.3
105.07004	3.8
107.04932	7.3
107.08567	1.8
108.04459	8.1
108.08894	1.1
109.02857	28.8
109.10146	1.3
115.03918	1.1
117.01848	3.5
117.07029	2.2
119.04873	1.3
119.07716	2.2
119.08566	41.4
120.08106	1.2
121.06515	2.2
121.10138	1.0
123.08113	1.1
123.11680	1.1
126.05516	4.6
127.03899	57.1
129.01831	2.8
131.08516	1.1
133.06453	1.0
133.10185	1.1
135.08003	5.5
135.11623	2.1
136.12012	1.1
137.02354	1.5
137.05952	1.0
138.09155	2.5
139.03920	1.7
139.57709	1.0
140.62556	1.2
145.04948	24.6
146.11749	1.1
147.02840	2.9
151.07533	6.2
152.07899	1.3
153.01833	1.1
154.06215	25.0
159.02846	18.7
163.06059	2.9
163.07491	24.9
165.09094	2.8
167.07016	7.1
175.11113	1.2
177.04013	1.4
177.09113	2.2
177.24905	1.0
178.09367	1.0
180.07817	1.8
189.09241	1.1
191.10670	4.1
192.11095	2.1
193.08636	1.0
195.10141	100.0
199.11258	1.1
205.12212	1.6
206.12553	1.2
213.03961	2.9
230.06635	3.5
231.04996	11.6
248.07629	8.0
263.12753	14.8
266.08630	2.3
281.13751	2.8
285.11246	1.5
303.12357	1.4
336.27173	0.9
386.24115	1.2
424.31119	1.1
442.31296	1.0
460.27203	1.5
460.32681	1.2
461.05109	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	459.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01862	5.1
55.05503	20.1
57.03422	3.0
57.07049	1.0
59.04958	0.7
60.35701	0.6
65.03919	1.4
67.05492	26.8
69.03423	3.4
69.07054	7.7
69.46575	6.8
70.66785	0.6
71.04967	1.6
79.05479	30.5
81.03404	58.2
81.07041	23.3
82.03709	0.9
83.04960	7.1
83.08604	14.3
85.02896	0.6
85.06510	1.7
91.05463	30.8
92.05805	0.8
93.07027	16.2
94.37665	0.6
94.97673	0.6
95.04955	19.7
95.08582	10.7
97.02873	1.8
97.06514	3.3
97.10157	11.1
99.08086	1.0
103.05437	1.5
105.07011	21.7
107.04941	14.3
107.05649	1.2
107.08570	10.0
109.06519	3.9
109.10136	5.9
111.04458	1.2
111.08076	4.8
115.05418	2.7
117.06998	8.8
119.04886	0.9
119.07720	0.8
119.08566	14.3
121.05670	0.8
121.06475	6.7
121.10106	4.9
123.04406	1.7
123.08056	3.4
123.11687	1.0
125.05979	0.8
125.09611	6.9
128.06197	2.6
129.06055	1.1
129.06973	13.6
131.04901	3.4
131.08542	12.3
133.06456	5.9
133.10097	10.5
135.04428	0.8
135.08005	4.8
135.11684	1.2
137.09604	2.2
139.07433	0.6
141.06958	3.0
142.07716	2.6
143.08571	4.0
143.10652	1.7
144.05722	1.3
145.06456	13.9
145.10106	5.5
147.04388	1.1
147.08002	6.8
147.11676	7.6
149.05913	0.7
149.09579	4.8
151.07530	4.7
151.11142	1.3
153.06952	1.2
153.09056	2.1
155.08505	3.3
157.06480	3.5
157.10088	11.0
158.07222	0.8
159.08022	2.9
159.11696	1.6
161.05978	2.3
161.09630	2.6
163.07468	0.7
163.11160	3.1
165.07036	0.7
165.09082	2.0
165.12724	1.6
167.08516	1.4
169.06508	1.2
169.10120	2.6
171.08046	3.5
171.10205	0.7
171.11636	2.0
173.09598	2.2
173.13138	0.7
175.07578	0.8
175.11142	8.4
179.08536	0.7
181.06419	1.3
181.10132	1.9
183.08023	1.4
183.11661	1.9
185.09604	1.8
185.13190	2.1
187.11159	1.5
189.09305	0.9
189.11189	3.9
189.12692	1.0
191.10664	0.8
193.10431	1.0
193.12209	29.8
195.08057	1.0
195.11694	3.2
197.09558	0.8
197.13222	2.1
199.11140	2.0
200.21390	0.6
201.12694	1.0
205.12163	1.3
207.11659	1.0
209.05011	0.6
209.09607	1.0
209.13229	1.6
211.11220	1.0
211.13277	1.5
213.12750	1.3
215.14316	2.5
217.12260	0.8
219.11676	0.8
223.11143	1.2
223.13185	1.2
225.12596	1.6
227.14262	1.9
231.13818	2.0
233.15300	2.7
237.12691	2.0
241.12196	0.8
245.15340	0.8
249.14838	3.7
253.15941	0.7
255.13855	3.8
255.16019	0.8
256.14175	0.8
257.15442	1.4
258.04004	0.6
267.15955	1.9
269.15466	1.2
271.17053	1.4
273.14786	9.8
283.17151	0.9
287.16360	1.1
290.43250	0.6
321.21921	0.9
331.20514	1.2
339.23163	3.0
349.21521	8.7
350.21912	1.0
357.24060	4.2
367.22650	22.9
368.22995	1.6
385.23657	24.5
386.24200	1.7
403.24716	6.7
405.24069	1.8
423.25409	1.3
441.26175	6.1
459.27350	100.0
460.27597	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	459.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01868	3.1
55.05500	15.2
57.03430	4.2
57.07054	0.6
65.03918	1.2
66.33868	0.7
67.05492	21.3
69.03400	2.5
69.07058	4.5
69.63484	1.2
69.63896	4.6
69.64554	0.6
71.04951	2.3
71.79805	0.6
79.05011	0.8
79.05475	22.4
81.03401	52.0
81.06593	1.1
81.07040	16.9
83.04967	6.1
83.08604	15.3
85.02848	0.7
85.06528	1.0
89.86497	0.6
91.04904	1.2
91.05461	22.3
93.07023	13.4
95.04944	19.9
95.08583	8.2
97.02869	1.6
97.06486	2.9
97.10149	8.3
97.44937	0.5
103.05428	1.1
105.03368	0.8
105.07008	16.3
107.04932	10.6
107.08571	8.5
109.06499	4.0
109.10146	3.9
111.08057	3.9
115.05408	2.4
117.06998	6.8
119.04892	1.8
119.08550	11.4
121.06487	7.1
121.10133	4.9
123.04386	1.7
123.08030	2.5
125.05988	0.7
125.09597	5.9
128.06180	2.0
129.06978	12.8
131.04883	3.7
131.08545	11.5
133.06468	6.1
133.10085	5.0
133.93263	0.6
135.08052	3.1
135.11678	1.4
137.09572	1.6
141.06949	1.5
142.07750	2.0
143.08528	4.2
144.05704	2.0
145.06448	17.9
145.07549	1.2
145.10089	4.3
147.08009	5.2
147.11655	4.9
149.09575	3.9
151.07564	0.7
153.09087	1.7
155.08539	3.7
157.06415	3.2
157.10089	8.9
159.08055	4.3
159.11641	1.9
161.05960	2.7
161.09608	1.7
163.11177	1.3
165.07011	1.2
165.12631	0.6
167.08556	1.7
169.06436	1.5
169.10080	2.4
171.08009	5.7
171.11641	1.6
173.09584	1.6
173.13219	1.3
175.11143	5.9
178.07751	0.7
179.08516	0.8
181.06371	0.8
181.10081	2.1
183.08051	2.1
183.11662	1.1
185.09595	2.0
185.13158	1.8
187.07527	0.8
187.11166	1.2
187.14780	1.1
189.09056	1.0
189.11183	3.8
189.12782	1.7
191.08714	0.7
191.10760	0.7
193.12207	30.0
195.08025	0.8
195.11671	2.8
197.09598	2.0
197.13179	2.9
199.11169	2.0
199.14671	0.7
201.12828	0.7
203.14313	0.8
209.09523	0.8
209.13168	1.3
211.11191	1.2
211.13083	0.8
213.12750	1.8
215.14279	2.0
217.12241	0.9
221.13210	0.7
222.10489	0.6
223.11264	0.8
225.12814	1.3
227.14278	1.6
231.13718	1.6
233.15372	2.1
237.12624	2.9
239.14384	0.7
243.13762	1.2
249.14833	4.7
253.15659	0.7
255.13766	4.3
259.13199	0.8
269.15390	1.0
271.16953	1.2
273.14783	12.6
283.16772	1.1
287.16412	1.4
289.18057	0.9
301.17877	0.7
311.16534	1.2
321.22241	0.8
339.23074	3.5
341.21179	1.0
349.21539	9.5
357.24200	3.4
367.22617	28.0
368.22928	1.6
385.23657	24.9
386.24115	1.3
403.24557	6.4
405.24124	2.1
423.24881	1.3
441.26111	5.5
459.27335	100.0
460.27646	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	458.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01868	5.4
55.05501	4.7
57.03425	0.6
57.07066	16.5
58.91474	0.6
65.03934	2.0
65.31357	0.6
67.05495	10.7
68.05016	2.6
69.03417	9.5
69.07056	12.0
70.06581	10.7
71.04970	1.4
71.08621	20.0
71.47612	0.8
71.47962	1.3
79.05489	6.0
79.94258	0.6
80.05006	1.2
81.03392	1.5
81.06591	1.0
81.07043	15.6
82.06572	1.7
83.08611	2.8
84.04486	3.7
85.10169	11.5
86.06053	11.0
87.04449	12.1
91.05446	2.9
93.03378	2.4
93.07028	4.6
94.02911	4.0
94.06565	4.4
95.01317	0.6
95.04966	2.0
95.08590	16.8
96.04475	3.3
96.08104	1.0
97.02863	0.6
97.06493	0.8
97.75072	0.6
98.06039	59.3
104.07104	0.9
105.06977	2.9
106.06530	1.1
107.04911	1.4
107.08584	4.6
108.04478	0.9
108.08091	1.2
109.02869	1.8
109.06473	0.9
109.10123	1.5
110.02380	1.9
110.06031	5.1
111.04449	1.2
111.08047	0.9
112.07579	1.4
117.07001	1.4
118.06535	0.6
119.08550	1.6
120.04444	1.6
120.08089	0.8
121.02851	3.0
121.06477	1.5
121.10123	1.2
122.02341	2.2
122.06007	7.9
122.09661	2.7
123.00754	0.7
123.04428	1.1
124.03934	1.8
124.07582	5.4
125.05963	1.0
128.06352	0.6
130.06494	0.8
131.08510	1.1
132.08038	1.0
133.06503	1.4
133.10072	1.5
134.05997	1.7
134.09657	0.8
135.04440	0.6
135.08051	1.0
135.11797	1.1
136.03961	1.2
136.07550	2.2
137.02295	2.2
137.05974	0.7
137.13246	1.5
138.01848	1.9
138.05455	5.5
139.03862	1.3
140.07057	1.5
145.06465	0.8
145.10066	0.7
146.05969	0.8
148.03903	1.9
148.07545	2.1
149.02292	5.4
149.05962	2.0
150.01889	0.9
150.05479	7.0
150.09109	15.9
151.03854	1.2
152.07050	8.1
153.12755	2.3
154.01350	0.8
155.03383	2.2
155.14285	3.7
156.06519	1.2
159.08022	0.8
160.07550	3.2
161.05971	2.0
161.13228	1.3
162.05475	4.6
162.09077	1.5
163.07515	0.7
164.07022	3.9
165.05510	0.8
166.04976	2.8
166.08626	0.9
167.03365	5.7
168.02911	1.2
168.06541	1.3
170.08102	5.5
173.13235	1.2
174.09203	0.9
175.14836	1.1
176.06963	3.1
177.05414	0.8
178.04982	10.4
178.08589	18.1
179.08885	0.6
180.06538	2.4
181.12253	1.7
182.08154	1.3
188.07021	3.3
190.08606	1.5
191.14337	1.7
192.06540	2.1
192.10538	0.6
194.04462	5.0
194.08080	3.2
196.05968	3.2
196.09700	1.4
196.16959	0.8
201.12767	1.4
202.15916	2.2
204.06569	1.4
206.08096	42.7
207.08356	0.8
208.06027	0.9
208.09650	0.7
216.06514	2.2
219.13802	1.4
220.06075	1.2
220.16943	2.7
221.15292	0.7
222.07713	0.8
224.09131	20.3
232.06099	1.5
234.07599	2.4
235.13350	0.9
237.14769	0.8
240.08711	1.3
242.10146	5.8
247.13274	2.1
247.16975	1.2
248.05464	0.9
248.20035	1.3
249.14890	0.7
250.07089	1.1
252.08595	2.1
258.09784	0.6
260.20062	0.6
262.10535	0.7
262.18018	3.4
264.15948	1.4
265.14441	1.5
268.08102	3.4
270.09698	2.2
274.17993	2.2
275.16418	1.8
276.16425	1.5
276.19574	3.1
280.11807	0.7
286.09253	2.1
286.18027	0.7
287.16370	2.6
288.10641	4.0
288.19547	4.7
291.15262	0.6
294.16943	2.9
294.20511	1.6
296.07648	2.4
304.19016	35.8
305.19318	1.4
306.20685	1.0
314.08630	2.3
322.20020	2.0
332.18512	37.9
332.21725	1.6
334.20224	0.9
336.21759	0.8
340.21173	2.6
348.21616	0.9
350.19565	53.4
351.19742	1.4
352.21106	2.6
360.21664	5.8
366.19022	1.4
366.22873	0.9
378.22693	45.9
379.23065	1.6
380.20471	0.9
394.22214	1.0
396.23776	11.5
404.20743	1.6
412.23251	5.8
422.21497	4.9
440.22739	41.3
441.23163	1.4
458.23788	100.0
459.23984	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	458.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.05511	0.4
57.04286	0.3
58.28755	0.2
65.03969	0.3
67.05498	0.7
69.03418	1.1
69.07069	0.6
69.87693	0.8
69.88126	0.8
70.06582	0.2
76.02213	0.3
78.03439	1.7
79.05511	0.3
80.05016	0.4
80.41005	0.2
81.03406	2.7
81.07048	0.6
85.02901	0.9
86.09698	0.5
91.05453	1.7
93.07028	0.5
96.04479	0.6
97.02886	0.7
103.03936	0.3
105.07005	2.6
106.02901	6.5
107.08570	0.4
109.02878	1.1
111.41584	0.3
116.06219	0.3
117.07014	0.5
119.08562	7.3
119.09394	0.5
124.03930	13.7
127.03899	0.6
128.06209	0.6
129.06996	1.5
130.07765	0.6
131.08543	9.5
133.10107	11.5
141.06982	0.3
142.07687	1.1
143.08534	14.2
144.09343	2.0
145.04897	0.3
145.10097	7.5
147.11681	0.4
156.09323	1.0
157.10110	1.2
158.10886	33.3
159.11230	0.9
169.97275	0.2
171.11670	0.6
173.13229	100.0
174.13562	2.8
175.14821	2.7
230.35983	0.3
250.07080	2.7
268.08072	2.0
284.07690	0.5
286.09171	0.3
296.08588	0.3
326.03281	0.4
371.82169	0.2
458.07394	0.3
458.21704	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	458.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.8
55.05509	5.7
57.07061	23.4
57.72194	1.8
65.03930	4.3
67.05496	17.2
68.05010	3.1
69.03407	15.8
69.07062	11.5
70.06573	16.2
71.04971	2.1
71.08620	29.7
71.80579	2.6
74.88412	1.5
79.05464	13.4
80.04977	1.5
81.03396	4.9
81.07050	22.8
82.06567	4.9
83.08603	3.7
84.04514	3.9
84.08128	1.9
85.10175	14.7
86.06056	22.1
87.04443	16.2
91.05457	7.6
93.03390	4.6
93.07024	7.9
94.06560	4.8
95.04967	6.8
95.08586	27.6
96.04451	2.3
96.08130	5.2
98.06038	57.5
105.06985	9.1
106.06509	2.1
107.04941	6.3
107.08596	8.1
108.08086	2.6
109.02867	6.3
109.10151	4.6
110.02377	3.9
110.06010	4.8
111.04448	1.8
117.07030	3.0
119.04927	2.6
119.08594	6.0
120.04459	3.2
121.02864	6.3
121.06498	5.3
121.10110	1.9
122.02406	2.4
122.06011	10.9
122.09682	5.9
124.03966	1.8
124.07566	21.6
131.08536	3.5
132.08061	5.6
133.06458	3.0
134.05989	5.8
136.03920	2.6
136.07585	6.5
137.02304	3.0
137.13219	1.9
138.05486	5.7
141.58598	1.7
145.06538	3.3
145.10213	2.1
148.03918	3.0
148.07585	4.2
149.02322	2.5
149.05870	2.9
150.05521	9.2
150.09120	33.7
152.07057	31.9
155.03337	3.0
155.14326	5.7
157.10135	2.1
160.07516	10.3
161.05922	3.5
161.13188	2.0
162.05472	4.8
162.09157	6.1
164.07040	34.7
167.03351	3.3
176.07001	2.6
177.05469	1.7
178.05009	11.5
178.08604	37.3
188.07040	13.8
190.08586	29.8
192.06633	4.1
194.08128	4.3
196.06071	6.2
206.08092	100.0
220.13628	1.8
220.17027	2.0
221.92912	1.6
222.07599	5.0
224.09132	55.6
234.95065	1.7
235.16866	3.8
246.98900	2.0
247.16879	2.8
248.20042	2.3
250.07112	3.7
257.15610	2.9
262.18155	2.0
268.08063	19.3
274.17950	9.8
275.16299	7.5
276.19574	6.5
286.09180	3.0
287.16385	2.5
288.19583	5.0
304.19073	21.4
306.20569	51.4
324.21722	5.3
328.66211	2.2
332.18533	28.8
332.22110	2.8
342.20651	7.7
348.21646	3.1
350.19522	36.8
350.23349	4.2
360.21634	40.8
367.22607	2.1
368.20551	19.5
376.21271	2.2
378.22708	68.8
379.22736	2.3
384.22415	5.1
404.20706	6.0
422.21658	71.9
440.22717	19.4
456.15256	1.9
458.24216	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	458.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41651	0.3
69.03412	0.4
69.88471	0.4
70.06566	1.1
71.04982	0.4
71.12807	1.2
79.05498	0.6
84.04496	0.5
85.02864	1.1
85.06519	0.8
87.04438	0.7
91.05480	0.8
92.79778	0.4
93.07010	1.2
97.95475	0.3
103.05452	6.8
104.07105	0.6
107.04935	2.1
111.04510	0.4
112.07541	0.5
113.05981	1.0
116.07075	0.4
120.08086	100.0
121.06484	1.6
121.08441	1.3
127.03899	0.6
128.07091	0.4
131.04913	2.1
131.07037	2.1
135.04388	0.6
137.05936	0.7
138.09062	0.5
145.02751	0.5
147.04356	0.8
149.05954	1.6
158.08109	0.7
163.03896	2.7
166.08612	55.0
167.08929	0.5
222.86250	0.3
307.06311	0.5
458.16522	0.4
458.23639	0.6
459.13284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	1.7
61.02919	1.3
69.03391	3.7
69.07034	1.5
69.23724	1.2
70.06563	4.6
70.27767	6.0
81.03408	1.5
84.08112	1.6
85.02881	4.4
86.09666	5.0
87.76776	1.2
89.06010	3.1
91.05457	2.7
95.01311	7.7
97.02886	2.1
103.05469	1.4
113.02341	6.1
119.04932	1.4
121.02853	2.8
124.07599	1.4
127.03875	2.3
127.67859	1.3
136.07547	1.6
138.05496	2.6
146.06007	7.8
152.07033	5.3
160.07555	7.3
161.08337	37.3
161.09654	2.9
162.03104	5.1
163.03883	1.6
165.07040	1.9
167.08566	1.4
175.03906	2.1
176.07051	5.9
177.05457	5.3
178.07712	3.0
179.08522	3.7
180.06538	10.6
184.07356	1.3
190.04904	1.7
190.08655	8.6
191.09486	3.4
192.10233	16.8
195.08015	4.5
202.07765	2.7
203.08626	2.9
205.10115	2.0
206.07216	2.3
207.02835	2.2
207.08051	5.9
208.08800	4.2
209.09639	2.5
215.08534	2.3
217.10127	2.7
219.08017	7.9
220.08748	10.4
221.09589	10.4
222.10254	3.6
223.07527	3.7
223.11200	9.1
225.09186	3.4
226.09892	1.9
231.08057	3.3
232.08897	2.0
233.09579	4.6
234.10426	5.6
235.07552	6.5
235.11053	8.2
236.08371	1.9
236.11980	7.1
237.09123	9.1
238.09969	6.3
239.10583	7.7
241.12154	2.7
244.08728	1.8
245.09572	4.7
246.10399	3.1
247.07501	2.9
247.11215	3.8
249.03833	3.0
249.09070	3.9
250.09882	5.8
251.10692	13.8
252.11476	11.1
253.12152	2.3
254.13026	2.9
257.09564	2.4
258.10428	2.0
259.07507	1.9
259.11047	3.0
260.11981	2.5
261.09128	5.3
261.12573	1.1
262.09787	4.5
263.10580	5.4
265.08591	5.7
265.12161	11.1
266.10080	2.0
266.12946	9.9
267.13715	18.0
268.13263	1.9
270.08786	1.9
271.11215	1.3
273.09116	3.1
274.09750	4.1
275.07330	1.7
275.10623	4.1
276.11191	3.7
277.08536	3.0
277.12131	6.1
278.09271	2.7
279.10120	1.9
279.13626	1.8
282.08740	1.8
282.14841	1.8
283.15582	9.0
284.16415	35.2
285.12494	1.5
287.06952	1.4
287.10568	2.8
289.08444	2.1
289.12054	1.9
290.09427	3.2
291.10281	2.9
291.13675	5.0
292.10791	1.6
293.11539	6.6
295.05917	1.6
296.06284	3.9
301.12399	1.8
302.09186	2.5
303.10037	3.3
303.13358	1.5
304.10696	2.1
305.11700	4.0
305.15271	1.8
306.08804	2.5
307.05981	2.3
307.09668	2.4
307.13226	5.8
308.06320	5.1
310.14331	34.0
318.08917	2.5
318.12390	2.4
319.09503	1.9
319.13266	2.9
320.10541	2.4
321.11188	1.9
322.08038	2.4
323.09003	2.0
323.12637	2.6
324.15701	1.8
325.07001	3.5
326.04059	2.0
326.07333	10.8
331.09549	3.9
332.10385	2.6
333.11212	8.5
333.14716	2.0
335.08926	1.5
335.12634	3.1
337.06894	2.3
337.10565	3.7
338.07263	6.4
345.11145	2.6
346.11823	2.3
348.13501	5.7
349.10617	5.1
350.11295	2.1
350.17575	2.0
351.12140	2.3
352.08887	4.0
361.14444	1.8
364.13055	8.4
368.18494	5.7
378.16940	2.8
379.15353	43.9
380.08322	6.5
380.15359	2.5
392.07867	2.1
396.17966	37.0
397.18155	2.1
404.08353	4.3
410.09235	2.9
411.14160	4.0
412.17648	2.0
422.09357	3.7
423.14444	4.8
440.11087	3.9
440.16962	78.4
441.16907	4.0
458.11615	10.4
458.17978	100.0
459.18616	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	458.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30913	0.2
63.15739	0.1
69.68930	0.7
69.69365	0.8
85.02867	0.4
85.99051	0.2
87.63920	0.2
97.02799	0.2
98.21476	0.2
110.20527	0.2
173.51537	0.2
179.07175	0.2
189.98956	0.2
196.05031	0.2
202.12592	0.2
221.78729	0.2
226.88242	0.2
235.06252	1.7
236.06927	0.3
251.05695	0.7
252.06548	9.0
253.06985	0.4
263.05725	0.5
263.49316	0.2
264.06540	1.0
265.07208	0.3
266.04495	1.0
267.05228	4.1
268.05814	0.4
268.09317	0.2
269.08118	0.3
280.05997	29.7
281.06699	6.3
282.07187	0.3
296.09134	100.0
297.09488	5.3
352.93045	0.2
424.25531	0.2
458.14413	2.5
458.20135	0.3
459.27344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1114
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03909	3.4
55.01853	1.0
56.65416	0.7
57.03432	7.4
59.04990	4.5
69.03091	1.3
69.03416	13.9
69.79267	6.9
70.06554	3.3
71.04984	6.8
71.42622	0.8
73.02903	4.2
81.03404	20.7
85.02847	1.3
86.09682	1.5
87.04419	1.3
96.60431	0.9
98.97885	1.2
98.98447	15.8
99.04438	10.1
103.03901	0.8
115.71964	0.8
117.05476	9.0
121.02796	1.4
127.03875	1.3
140.99405	1.4
145.07590	2.6
146.05957	1.0
147.09094	3.7
157.07552	1.7
159.09138	3.8
163.03833	1.4
170.07053	1.5
171.09021	1.0
172.08658	24.2
173.07010	3.8
174.10304	1.2
175.08548	2.7
179.03427	1.3
184.08669	1.9
187.00414	0.8
190.09753	1.6
191.08054	1.0
197.09264	1.8
198.06631	6.3
198.10201	1.6
200.08047	3.6
209.10768	1.0
210.10190	1.9
214.09766	4.4
216.05739	1.4
216.07651	17.8
218.09071	2.6
219.07523	2.3
224.11664	2.7
226.09700	1.7
229.08336	2.3
230.09137	1.0
243.08752	48.0
244.06964	1.7
254.12660	0.9
257.10123	0.8
270.12195	1.5
285.09567	1.6
297.09634	1.4
316.12738	2.0
323.11081	2.1
325.06854	2.8
334.09470	1.0
334.13327	0.9
337.06973	1.5
339.62469	0.8
341.12308	8.1
351.07742	1.4
359.09216	1.8
359.13455	36.4
360.13440	1.1
369.08157	1.1
377.14304	3.4
379.07614	1.6
396.09589	6.7
397.07458	2.2
403.07990	1.1
414.10501	10.1
421.09155	5.5
439.10080	100.0
440.10410	4.3
457.10800	43.1
458.10980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.4244
Annotation	N-cerotoylglycine
Peak:m/z	Relative Intensity
52.46085	0.3
55.05487	1.1
57.07065	7.6
58.06574	0.4
60.04500	0.7
67.05484	2.2
68.05007	0.4
69.07040	1.3
70.06581	7.3
71.08230	0.5
71.08613	7.3
71.12916	0.6
71.13243	0.3
72.08134	1.0
81.07044	3.5
82.06539	0.4
83.08598	0.5
84.08151	1.8
85.10160	3.5
86.09691	1.5
88.07615	0.5
89.06019	0.7
93.07018	0.5
95.08585	4.1
96.04459	0.3
98.06027	0.5
114.09171	0.6
125.83920	0.3
131.25272	0.3
132.10176	5.8
137.13191	0.5
144.54564	0.3
146.11734	3.8
153.77292	0.3
155.14243	0.5
199.16904	1.9
200.20166	0.4
203.15178	0.3
206.19061	0.5
212.23730	1.0
224.20210	0.4
236.23453	0.4
238.25270	2.4
240.27025	0.3
298.27396	0.3
300.25513	1.1
300.28903	28.3
301.29440	0.3
354.69562	0.3
392.38705	3.2
454.42480	100.0
455.42624	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19851	0.2
55.05507	1.1
56.05009	0.2
57.07066	13.0
58.06593	1.5
67.05496	1.8
68.05004	0.3
69.07058	2.2
70.06583	12.4
71.08624	8.4
71.28848	0.6
72.08134	0.3
72.45179	0.2
72.55859	0.2
73.02913	1.4
74.06063	0.2
79.05468	0.3
81.07047	2.2
83.08612	1.7
84.08104	0.3
85.09726	0.2
85.10168	2.7
87.04449	1.4
88.07616	19.3
93.07022	0.3
95.08081	0.2
95.08603	3.0
96.08916	0.2
97.06457	0.2
97.10178	0.9
100.07563	0.2
102.09167	11.6
105.07002	0.2
106.08624	0.8
107.08566	0.3
107.77251	0.2
109.10114	0.8
111.11674	0.3
120.39255	0.2
120.83366	0.2
121.51156	0.2
123.11723	0.3
145.84598	0.2
156.17429	0.7
174.18489	0.3
178.59500	0.2
190.15599	0.3
200.20070	48.3
201.20360	1.1
218.21127	4.2
227.20009	0.5
228.23079	0.4
250.46249	0.2
256.26312	0.6
283.26279	50.5
284.26645	1.8
456.44064	100.0
457.44427	4.7
464.16275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
52.13948	0.3
55.05493	2.0
56.43443	0.4
57.03429	3.1
57.06794	0.9
57.07070	19.0
62.06082	22.2
67.05495	3.9
68.08228	0.3
69.07064	3.2
71.08619	12.4
72.86079	0.4
81.07045	4.8
83.04909	0.4
83.08607	3.5
85.10173	8.0
89.05989	0.7
95.08591	7.6
97.10142	2.3
98.20652	1.0
98.98449	5.3
103.07531	0.5
105.07008	0.4
107.08611	0.5
109.10141	3.0
112.75748	0.4
123.11688	1.4
124.01575	1.1
137.13237	0.5
142.02646	1.0
145.06482	0.4
146.06015	2.5
155.01007	5.8
162.09084	0.4
173.02054	0.6
198.05261	1.4
208.16856	0.6
216.06285	2.8
227.85431	0.4
239.23622	1.4
282.27887	10.4
283.28174	0.6
313.27319	100.0
314.27673	3.8
316.22647	3.9
357.47949	0.4
393.24014	6.4
436.28259	4.0
454.29111	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	453.3358
Annotation	Kulactone
Peak:m/z	Relative Intensity
50.07871	1.2
53.03939	2.4
55.01855	3.5
55.05500	17.6
57.07047	6.7
59.04969	2.6
59.72699	1.4
65.03930	1.9
67.05180	2.5
67.05496	37.3
69.03420	42.5
69.07058	22.6
70.01936	2.7
70.02356	8.0
71.04974	5.6
71.08628	2.8
73.06535	5.8
79.05120	1.4
79.05478	14.8
81.03374	3.1
81.06586	2.9
81.07040	40.7
83.04951	6.9
83.08609	15.1
85.06507	4.7
89.06013	24.0
90.06335	5.5
91.05462	14.0
93.06490	2.7
93.07027	34.2
95.04388	2.5
95.04953	35.1
95.07983	3.3
95.08590	61.5
97.06522	9.5
97.10162	8.1
99.08060	6.9
105.07014	28.7
107.04944	4.5
107.08575	39.8
109.06476	6.8
109.10136	38.6
111.08064	11.9
111.11702	2.5
113.09589	3.2
117.06998	8.0
119.08561	38.6
121.06481	4.1
121.10125	36.9
122.90182	1.6
123.08054	14.8
123.10844	2.3
123.11676	21.5
125.09635	8.0
127.11271	1.6
128.06203	1.9
129.06972	6.1
131.08543	20.7
133.08589	13.5
133.10106	35.9
134.08925	4.8
135.07999	7.7
135.11662	16.7
137.09596	8.0
137.13225	5.1
139.07532	3.1
139.11162	6.3
141.06975	3.3
141.09119	7.6
142.07747	4.2
143.08519	16.1
144.09245	2.1
145.10104	29.7
146.10503	1.5
147.08017	2.3
147.11661	18.9
149.09601	7.6
149.13216	9.9
151.11162	10.2
155.08531	7.0
156.09305	3.1
157.10109	24.4
158.10876	1.6
159.10338	2.3
159.11668	30.8
161.09599	4.5
161.13222	27.2
163.11162	4.0
163.14793	5.2
165.12694	6.3
167.10646	6.3
169.10130	10.3
170.10814	2.5
171.11676	21.3
173.13248	18.7
175.11102	4.6
175.14767	8.7
177.11244	2.8
177.12715	8.7
181.10091	7.0
182.10889	2.8
183.11688	11.4
185.13226	19.9
187.11116	3.2
187.14752	16.0
189.12694	6.4
189.16389	8.6
191.14268	2.3
193.10092	2.4
195.11626	7.9
196.12352	1.9
197.13208	12.3
199.14783	17.3
201.12685	4.9
201.16396	11.6
203.14296	6.0
203.17955	3.1
205.15826	3.3
207.11681	3.9
209.13210	10.4
210.14032	3.3
211.14754	14.4
213.16362	13.0
215.14241	3.7
215.17975	6.4
217.15843	2.3
217.19461	2.1
221.13173	2.3
223.14761	9.3
225.16328	12.2
227.17885	14.9
229.15852	5.3
229.19440	2.6
231.17395	10.2
235.14780	4.7
237.16411	5.0
239.14841	26.1
239.17848	9.2
240.15244	17.7
241.15785	3.2
241.19450	3.2
243.17433	4.8
245.18980	22.0
249.16307	5.0
251.17964	6.7
253.19479	5.6
253.37909	1.9
255.17351	2.4
255.21069	2.1
257.18985	9.3
259.20541	10.8
263.17902	3.7
265.19620	8.6
267.17303	2.2
267.20926	2.6
269.18997	5.3
271.20490	5.1
273.21967	1.8
275.53342	1.6
277.19458	3.8
279.21048	2.1
281.18845	5.3
281.22250	2.5
283.20630	11.2
285.22165	9.0
287.23410	1.9
293.19098	3.6
293.22617	4.9
295.20541	9.8
295.24136	13.3
297.22144	8.4
297.25558	1.9
299.23984	2.0
307.20627	2.2
309.22147	7.8
311.08627	1.7
311.20316	1.7
311.23630	29.8
312.23886	1.7
313.25165	45.2
314.25613	3.0
319.24228	6.3
321.21909	4.7
321.25568	3.1
323.23642	2.7
337.25220	20.5
339.26846	14.8
345.26077	2.2
349.25192	3.9
351.26755	10.3
353.24655	2.4
353.28378	5.0
363.26724	24.2
365.28513	2.4
381.27835	86.7
382.28244	3.4
383.29303	3.7
407.33026	4.7
417.31546	9.7
425.34073	5.7
435.32449	31.9
453.33551	100.0
454.33817	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
55.05495	2.6
56.05011	0.5
57.07063	6.7
65.03927	0.7
67.01849	0.5
67.05490	5.1
67.21683	0.4
68.99768	2.6
69.03394	0.6
69.07059	2.4
70.46513	0.4
71.08237	0.5
71.08619	9.2
71.80716	0.5
79.05453	1.2
81.03417	0.7
81.06596	0.5
81.07043	7.3
82.06565	1.0
83.04955	1.1
83.08614	0.9
85.02893	0.6
85.10166	5.0
86.09679	0.4
91.05457	1.0
93.07023	0.8
95.04949	1.6
95.08591	7.3
96.04473	2.0
97.02888	0.6
97.06520	0.4
97.10136	0.4
100.11271	0.4
103.05445	0.8
105.03354	0.4
105.07005	1.0
107.04944	0.6
108.04490	0.6
110.05932	0.5
111.00784	2.7
111.04402	1.2
113.05967	0.5
115.05443	0.9
119.04905	1.5
121.06494	1.8
122.06032	0.6
123.04404	1.7
123.05494	1.0
124.03938	2.1
126.05437	0.4
128.03415	1.0
129.06955	0.5
131.04878	1.9
133.06483	0.4
134.05992	1.2
135.04378	0.7
137.02322	0.6
137.05934	0.8
137.13194	0.5
139.03847	1.6
143.04932	0.7
145.06456	0.4
146.05954	1.0
147.04405	3.0
148.07539	1.0
149.02213	0.3
149.05939	3.3
149.07079	5.3
150.05466	6.9
151.03891	0.9
153.01799	23.2
154.02173	0.7
154.04987	0.6
154.08598	2.6
155.05011	0.5
155.14268	1.8
157.06384	0.6
159.04364	1.1
161.05930	1.2
162.03178	0.6
162.09128	0.6
163.03848	0.5
165.01782	1.2
165.05464	1.2
165.06769	0.4
169.06441	0.5
172.07555	0.5
173.05925	1.8
174.05507	0.6
175.03889	3.8
175.07352	0.4
176.07043	2.3
177.05420	1.3
178.04945	0.7
179.03444	0.5
181.01334	0.4
181.06519	0.5
183.04430	0.5
185.05908	0.6
187.03870	3.1
188.07043	1.0
189.05475	2.1
190.08603	0.8
191.03374	0.7
192.06508	0.8
193.04915	0.8
193.09729	0.5
196.06000	0.7
197.05852	0.6
198.18494	2.8
200.07021	0.9
201.05437	1.3
203.03354	6.5
204.06526	2.3
206.08063	1.8
208.16975	0.8
210.07565	0.5
213.05368	1.4
215.03323	1.4
216.04166	0.6
217.04996	0.5
218.08096	3.7
220.06023	0.7
220.09714	0.9
222.07532	0.7
223.10606	0.6
224.04684	0.7
225.05388	0.7
228.06470	1.2
229.04892	2.1
231.06456	0.4
236.09105	0.9
239.03372	0.5
241.04924	0.7
242.05618	2.3
243.06427	0.8
245.04506	0.4
246.07568	9.0
246.10129	0.4
252.04111	2.6
253.04912	4.0
253.11765	0.6
257.04391	1.3
259.05920	0.9
263.10138	0.5
264.08627	16.6
265.04947	0.7
265.08798	0.6
267.06369	0.6
269.04465	2.2
270.05173	1.4
271.05881	1.6
280.03580	0.6
281.04468	5.3
281.11288	8.0
282.04968	0.5
282.09589	1.8
285.03885	2.2
287.05432	0.5
287.16403	0.8
295.05835	2.0
297.03876	3.2
298.04666	23.1
299.05389	14.6
299.12283	5.6
300.05844	1.2
301.18301	0.6
303.04980	0.6
303.20560	4.2
304.19028	6.6
311.05496	2.8
313.03354	5.5
315.04959	3.6
323.05481	2.2
324.06006	0.5
326.04279	0.5
327.04944	6.9
327.15848	1.9
328.05154	0.7
330.20526	0.9
340.05753	0.7
341.06427	0.6
350.19400	0.5
358.19949	2.0
360.21530	0.8
369.16855	0.5
372.21524	1.2
400.20987	3.4
401.21744	0.4
418.22141	10.7
419.22595	1.2
425.19504	1.0
435.18594	0.7
435.24796	7.2
436.23993	0.7
453.18945	100.0
453.25790	89.8
454.19260	12.4
454.26086	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01851	0.9
55.33991	0.5
56.96557	0.6
57.03407	1.9
61.02930	2.4
61.39207	0.5
65.03926	1.1
67.05476	1.5
69.03418	6.9
69.07063	0.6
70.06563	0.7
71.01337	0.5
71.04964	0.5
71.79524	1.0
73.02887	1.8
76.32972	0.4
79.05446	0.8
81.03403	2.4
83.04953	0.6
84.08144	1.1
85.02882	9.2
87.04441	1.7
90.74312	0.5
91.05465	0.8
93.03363	0.8
94.06540	0.6
95.04937	0.7
96.08105	0.8
97.02872	3.7
99.04421	1.4
99.10960	0.5
103.03894	0.8
104.52792	0.4
105.06986	0.6
107.04947	0.7
109.02845	1.7
110.06010	1.0
111.04353	0.6
113.06004	0.7
115.03841	0.6
115.56600	0.4
119.08564	0.5
121.02834	0.5
122.06003	1.2
123.04385	1.6
123.22852	0.4
124.07554	3.2
127.03879	3.2
133.10143	0.5
134.06024	0.5
135.04367	1.0
136.03926	1.3
136.07556	1.4
137.02312	3.8
137.05927	0.5
138.02660	0.7
138.09126	4.1
139.03810	0.7
140.07039	3.5
144.08034	1.1
145.02765	0.5
145.04900	0.8
147.04358	1.4
149.07317	0.6
150.05467	0.7
152.06993	1.1
154.04982	6.0
154.08583	3.1
160.07500	0.6
162.05435	0.8
163.03925	3.7
168.06558	1.1
172.11240	0.8
175.08656	0.7
176.07034	0.5
178.04974	1.3
182.09645	0.6
185.08340	0.8
188.10759	0.8
189.10117	0.5
190.08687	0.7
190.12204	0.9
196.05980	1.8
200.07021	0.6
200.10852	2.7
203.11745	1.1
204.10175	0.7
206.04457	1.5
211.08531	0.5
212.09372	1.0
213.07964	0.4
213.10152	1.1
214.10939	0.4
215.11778	1.6
215.53484	0.5
216.10161	1.7
217.13266	1.1
218.11725	1.4
226.07265	0.6
227.08128	3.0
227.11681	2.9
228.10207	11.0
229.10942	1.3
230.08241	0.5
230.10266	0.6
231.11295	1.0
232.12001	0.7
237.00706	1.0
240.08679	0.5
241.09601	2.3
242.10400	3.9
243.11234	5.1
244.11925	2.9
245.12793	7.1
246.11188	5.3
255.01732	1.0
255.11273	4.4
256.09622	1.1
257.12790	0.8
260.11517	0.5
261.12268	1.8
263.13882	0.8
273.02811	1.1
273.09329	0.7
273.12271	12.4
274.10602	5.6
275.13748	0.8
285.75546	0.5
291.13336	100.0
292.11197	0.9
292.13696	2.8
354.67801	0.6
382.65137	0.5
388.07635	0.6
411.05936	0.6
429.06976	1.4
453.12726	0.7
453.18579	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01857	2.5
55.05484	2.4
56.96563	1.0
57.03424	2.1
60.12605	1.0
67.05484	3.3
68.99767	1.4
69.03405	3.9
69.07053	4.4
70.06598	1.6
71.04982	12.6
71.63089	0.8
71.79662	1.2
71.80057	1.4
73.02883	1.1
79.05495	4.9
81.03404	5.0
81.07030	3.2
83.04954	2.4
84.08134	1.0
85.02891	24.5
86.03212	1.0
86.09681	1.0
89.03887	1.7
91.05473	4.4
93.03399	5.7
93.07023	2.1
95.04952	4.0
95.08566	2.8
97.02886	5.2
97.06492	2.3
99.04446	8.2
100.07549	0.9
100.11229	4.3
103.03917	13.3
105.03365	2.2
105.07002	2.3
107.04951	4.9
107.08571	1.9
109.02853	6.2
109.10120	1.8
111.04435	2.2
111.11693	2.6
115.05430	1.0
115.39403	0.9
117.03392	1.5
117.96558	0.9
119.04910	8.8
119.08544	2.0
121.02866	1.7
121.10151	1.7
123.04409	66.1
124.04742	1.1
127.03887	20.6
129.04370	1.2
129.05423	1.9
129.12758	3.2
131.04916	1.6
133.02849	1.4
135.04388	13.2
137.02321	46.2
137.05835	1.9
139.03879	4.5
143.04904	3.6
145.02806	3.0
145.04913	7.3
147.04391	22.2
147.05530	1.4
149.05954	1.7
151.03799	1.2
153.01851	1.7
161.05937	8.7
163.03874	35.9
163.05887	4.7
165.01828	2.0
165.04251	1.3
165.05476	12.2
171.04352	2.5
173.05971	1.8
177.01854	1.4
177.05394	2.4
179.03345	4.7
179.07042	3.4
179.31415	0.9
182.15331	1.6
183.02898	2.9
185.05879	1.2
187.04002	2.3
187.05997	2.8
189.05414	2.0
191.03363	100.0
192.03731	3.2
199.03893	1.6
203.03394	8.4
203.06891	1.1
205.04941	3.0
207.02873	3.2
207.06499	9.9
209.04335	1.3
209.16429	1.2
210.14809	1.8
213.05469	1.4
217.04959	1.2
217.07562	1.0
221.04350	4.5
233.04422	1.9
237.21637	1.0
241.04866	2.7
247.06139	1.9
249.07448	1.5
257.04556	1.1
259.05951	7.7
260.09961	1.6
261.10580	1.9
271.05829	5.3
273.04230	1.1
273.07440	1.1
287.05527	4.1
288.05826	2.3
289.06787	2.0
301.07025	44.1
302.07211	2.5
303.04953	3.7
313.07019	18.7
314.07089	1.0
315.14590	1.1
315.18021	4.0
317.06598	6.8
317.10071	1.6
325.07101	2.4
343.08069	53.5
344.08337	4.0
361.02292	11.8
362.02640	6.0
363.02570	1.6
379.03400	4.4
380.03421	2.2
411.10733	8.3
435.10623	3.7
453.12430	7.4
453.34238	7.3
454.10297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03936	0.7
55.01859	2.0
55.05508	0.5
58.84773	0.3
65.03932	0.6
66.67101	0.3
67.05489	1.4
68.99778	2.2
69.03412	1.4
69.07057	0.9
71.47694	0.5
71.48032	0.5
71.56895	0.4
77.03907	0.8
79.05481	3.4
81.03410	1.2
81.07034	0.8
83.04950	0.7
85.02877	0.9
89.03905	1.6
91.05457	2.7
93.03384	1.2
95.04949	2.3
95.08568	0.5
97.02885	0.5
97.06522	1.8
99.04466	0.4
100.11245	0.9
105.03355	0.9
105.07050	0.4
107.04929	3.8
109.02859	1.0
111.04431	1.1
114.09161	0.6
115.05433	0.8
117.03378	1.7
119.04922	5.9
121.02850	1.0
123.04411	49.2
124.04749	1.0
127.03887	1.3
131.04926	1.4
133.06433	0.8
135.04395	12.7
137.02318	25.8
137.05968	1.0
139.03885	3.1
141.01773	0.5
143.04884	2.2
145.02817	2.6
145.06480	0.5
147.04385	17.4
149.05988	0.9
151.03847	0.8
153.01791	1.1
153.05402	0.4
159.04387	0.7
161.02361	0.7
161.05957	6.3
163.03885	31.3
164.04204	1.7
165.01849	1.9
165.05473	12.7
171.04387	0.8
173.02385	0.4
173.05922	0.7
175.03854	1.2
177.01752	0.7
177.05421	0.9
179.03336	3.8
179.06998	2.5
181.06534	0.5
182.15324	0.5
183.02829	1.8
184.07338	0.5
185.06013	0.7
187.03870	3.2
189.05400	1.8
191.03363	100.0
192.03737	2.7
195.02939	0.4
199.03777	0.5
201.05513	0.6
203.03374	5.9
203.07030	0.5
205.04903	2.4
207.02806	2.0
207.06482	6.6
210.14842	0.5
213.05511	1.6
215.03304	0.4
215.06978	0.6
217.04880	1.4
221.04448	4.2
229.05008	0.5
231.06444	0.5
233.04436	1.7
241.04942	1.3
247.06004	1.6
259.05951	7.6
259.09735	1.7
260.09915	1.3
261.10117	2.5
269.07822	0.5
271.05957	4.5
283.05823	1.0
289.06863	0.6
291.08499	0.6
299.05441	0.4
301.07010	27.0
302.07437	1.1
303.04886	1.1
307.05865	0.4
313.06992	12.6
314.07104	0.6
317.06512	4.8
325.07068	1.3
343.08069	41.9
344.08487	2.1
393.09369	0.7
411.10721	5.5
412.10806	0.5
435.10568	2.7
435.32867	0.4
453.12595	3.0
453.34222	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98914	0.5
53.03936	0.7
55.01855	2.4
55.05495	0.8
65.03961	0.7
67.05499	0.9
68.99805	1.0
69.03412	1.5
69.07040	0.5
69.58691	2.7
69.59116	2.2
71.04961	1.2
73.10742	0.6
73.93370	0.6
79.05473	2.4
80.57514	0.6
81.03399	2.5
81.07011	0.8
83.08603	0.8
85.02884	2.9
87.86279	0.5
89.03893	1.6
91.05472	3.0
93.03399	2.7
95.04926	3.1
96.05273	0.6
97.02850	1.6
97.06517	2.0
98.06823	0.7
98.21400	1.0
99.04410	1.7
100.11227	2.1
103.03911	1.2
105.03384	1.1
107.04925	4.7
109.02856	1.4
111.04452	1.1
115.05411	1.0
117.03374	1.5
119.04906	4.8
121.02859	1.2
121.10089	0.5
123.04411	57.3
124.04739	0.7
127.03880	2.5
131.04926	1.1
133.06470	0.6
135.04391	12.8
137.02319	34.6
138.02637	0.6
139.03870	2.5
143.04883	1.9
145.02831	2.6
145.04979	1.3
147.04381	17.6
149.05945	1.2
151.03830	0.7
151.07596	0.8
153.01831	1.9
159.04466	0.9
161.05956	6.2
163.03876	30.3
164.04289	1.3
165.01851	3.3
165.04245	1.0
165.05467	12.9
171.04384	0.9
173.05908	0.8
175.03931	1.5
177.01828	0.8
177.05467	1.3
178.04956	1.5
179.03423	3.2
179.05452	0.8
179.06998	1.8
182.15407	1.0
183.02937	2.8
185.05948	0.9
187.03946	2.7
189.05424	2.3
191.03360	100.0
192.03694	3.1
197.05984	1.0
198.14554	0.6
199.03851	1.0
203.03403	4.6
203.07025	0.6
205.04945	2.8
206.04460	1.8
207.02832	1.7
207.04779	1.3
207.06520	6.9
209.04469	0.6
209.16431	0.9
213.05417	1.8
217.04909	1.6
221.04431	3.4
229.04958	0.9
233.04379	2.9
237.11940	0.5
241.04935	1.8
243.06458	1.0
247.05995	2.0
249.07684	0.6
259.06036	7.1
259.08829	0.9
259.09570	0.8
260.06287	0.7
260.09988	1.1
261.10254	1.5
271.05997	5.5
273.07779	0.6
289.06918	1.5
289.26407	0.5
291.08438	0.7
299.05420	0.8
301.07016	32.1
302.07309	1.6
304.05322	0.6
305.05450	1.6
306.05768	1.1
307.05954	2.2
313.07028	18.9
314.07434	0.6
314.66483	0.5
317.06503	6.9
325.06955	2.0
343.08093	33.9
344.08270	1.3
393.09665	1.1
411.10757	6.8
422.95844	0.7
435.10596	2.7
435.32867	0.9
453.11786	3.6
453.16949	1.1
453.34039	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	453.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98914	0.5
53.03936	0.7
55.01855	2.4
55.05495	0.8
65.03961	0.7
67.05499	0.9
68.99805	1.0
69.03412	1.5
69.07040	0.5
69.58691	2.7
69.59116	2.2
71.04961	1.2
73.10742	0.6
73.93370	0.6
79.05473	2.4
80.57514	0.6
81.03399	2.5
81.07011	0.8
83.08603	0.8
85.02884	2.9
87.86279	0.5
89.03893	1.6
91.05472	3.0
93.03399	2.7
95.04926	3.1
96.05273	0.6
97.02850	1.6
97.06517	2.0
98.06823	0.7
98.21400	1.0
99.04410	1.7
100.11227	2.1
103.03911	1.2
105.03384	1.1
107.04925	4.7
109.02856	1.4
111.04452	1.1
115.05411	1.0
117.03374	1.5
119.04906	4.8
121.02859	1.2
121.10089	0.5
123.04411	57.3
124.04739	0.7
127.03880	2.5
131.04926	1.1
133.06470	0.6
135.04391	12.8
137.02319	34.6
138.02637	0.6
139.03870	2.5
143.04883	1.9
145.02831	2.6
145.04979	1.3
147.04381	17.6
149.05945	1.2
151.03830	0.7
151.07596	0.8
153.01831	1.9
159.04466	0.9
161.05956	6.2
163.03876	30.3
164.04289	1.3
165.01851	3.3
165.04245	1.0
165.05467	12.9
171.04384	0.9
173.05908	0.8
175.03931	1.5
177.01828	0.8
177.05467	1.3
178.04956	1.5
179.03423	3.2
179.05452	0.8
179.06998	1.8
182.15407	1.0
183.02937	2.8
185.05948	0.9
187.03946	2.7
189.05424	2.3
191.03360	100.0
192.03694	3.1
197.05984	1.0
198.14554	0.6
199.03851	1.0
203.03403	4.6
203.07025	0.6
205.04945	2.8
206.04460	1.8
207.02832	1.7
207.04779	1.3
207.06520	6.9
209.04469	0.6
209.16431	0.9
213.05417	1.8
217.04909	1.6
221.04431	3.4
229.04958	0.9
233.04379	2.9
237.11940	0.5
241.04935	1.8
243.06458	1.0
247.05995	2.0
249.07684	0.6
259.06036	7.1
259.08829	0.9
259.09570	0.8
260.06287	0.7
260.09988	1.1
261.10254	1.5
271.05997	5.5
273.07779	0.6
289.06918	1.5
289.26407	0.5
291.08438	0.7
299.05420	0.8
301.07016	32.1
302.07309	1.6
304.05322	0.6
305.05450	1.6
306.05768	1.1
307.05954	2.2
313.07028	18.9
314.07434	0.6
314.66483	0.5
317.06503	6.9
325.06955	2.0
343.08093	33.9
344.08270	1.3
393.09665	1.1
411.10757	6.8
422.95844	0.7
435.10596	2.7
435.32867	0.9
453.11786	3.6
453.16949	1.1
453.34039	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	452.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01843	0.6
55.05500	1.1
56.05005	0.6
57.07069	2.7
62.34541	0.4
64.90489	0.3
66.04917	0.4
67.05480	1.6
68.05007	1.2
69.03410	0.9
69.07048	1.3
70.02924	0.6
71.08614	3.7
71.11102	0.4
71.11424	0.8
74.46196	0.4
79.05461	1.4
81.03404	0.4
81.07040	3.1
82.06555	1.4
84.04490	0.8
85.02884	0.7
85.10170	2.6
87.16026	0.4
89.93514	0.4
91.05460	2.0
93.07023	1.2
95.04951	1.3
95.08608	2.8
97.02848	0.5
103.05449	1.0
105.03322	0.4
105.07037	1.9
106.40542	0.4
107.04934	51.0
108.05261	0.9
115.05433	4.8
117.07008	1.1
120.04404	1.0
121.06494	3.0
123.04414	6.1
131.04903	1.5
132.10524	0.3
133.06477	1.5
133.10107	0.5
134.05882	0.3
136.05186	0.6
136.07541	1.5
137.05936	1.1
143.04903	6.7
145.06456	6.1
147.04410	0.3
147.74991	0.4
148.05171	1.2
149.05902	2.0
155.05940	0.4
155.14291	0.6
158.90515	0.4
161.05956	13.4
162.05441	3.3
163.06282	3.5
164.07033	9.3
175.06250	1.1
176.07018	0.9
177.07866	1.3
178.08604	0.5
181.06465	0.8
181.10156	0.5
190.08621	8.2
191.09483	2.2
192.17522	0.5
194.07208	0.8
195.65942	0.4
198.18489	5.9
208.16920	0.6
209.09486	2.4
210.18460	2.0
214.08534	1.6
216.10098	0.7
218.08110	5.9
219.08684	0.9
222.06743	0.5
226.06265	0.6
232.09647	9.5
233.10411	3.9
237.09081	1.5
240.07872	0.8
246.11179	3.0
255.10101	6.0
272.20135	0.5
282.11194	4.1
288.16113	0.6
290.21091	16.5
291.21301	0.8
298.14322	3.9
302.17352	0.4
311.25742	0.9
328.23224	0.4
332.22064	0.6
344.22159	1.5
345.23032	3.0
452.27890	100.0
453.28253	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	452.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.4
53.82343	0.4
55.01850	0.6
55.05493	0.7
57.03418	0.5
57.07068	4.0
58.99955	0.4
61.02901	0.9
63.24282	0.5
64.13233	0.4
67.05484	1.2
68.19847	0.4
69.03421	3.7
69.07047	0.9
70.06612	0.4
71.08617	3.9
73.02910	0.5
79.05466	0.6
80.05018	0.5
81.03387	1.5
81.07058	2.8
81.07445	0.5
82.09032	0.5
83.08597	0.5
85.02892	6.1
85.10150	1.9
87.04390	0.4
91.05450	0.9
92.04970	1.0
93.06994	0.7
95.08587	2.0
97.02898	2.1
105.03372	0.6
105.06993	0.5
107.04930	1.1
108.04483	0.6
109.02898	0.4
116.19062	0.4
120.04457	7.5
121.10125	0.5
122.05978	0.7
127.03893	1.2
133.10017	0.5
136.07544	11.0
137.13306	0.5
145.04955	0.8
146.05972	0.5
148.07611	0.7
155.14301	0.6
159.06743	1.0
162.05479	0.9
174.09125	1.7
234.31302	0.4
272.20041	4.7
290.21100	100.0
291.21445	5.6
311.56778	0.5
369.48102	0.5
434.23019	0.5
452.26511	3.1
452.32266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
53.08203	1.0
55.05498	2.0
56.96564	2.5
57.03426	9.8
67.05489	2.9
69.03403	3.1
69.07062	3.1
69.08832	1.0
69.86156	3.7
69.86578	3.6
70.06567	1.6
71.04981	61.5
73.02867	1.5
75.04470	2.7
79.05472	4.0
80.05814	1.4
81.03388	3.0
81.07045	2.3
83.04969	3.7
85.02892	71.1
86.03209	2.4
86.09688	3.0
87.04458	2.0
91.05438	1.2
93.07029	2.3
94.04211	1.0
95.04940	2.2
95.08595	2.4
97.02847	2.1
97.06519	10.2
97.10176	1.0
98.06849	4.0
99.04443	2.9
100.04748	1.3
102.39245	1.0
103.03933	2.3
105.06956	1.3
107.04934	2.1
107.08595	2.0
109.02866	2.1
111.04434	3.4
117.03323	1.4
121.02855	1.3
121.06498	2.5
121.10146	1.7
123.04405	1.5
123.11668	1.3
124.03899	1.6
127.03896	6.9
128.04222	1.3
129.05467	13.1
130.05812	1.4
133.10135	1.4
135.04391	3.2
135.11604	1.3
136.04735	1.3
137.05930	2.2
142.81137	1.1
145.02809	1.1
145.04912	2.2
146.05304	1.2
147.06516	1.2
153.01796	1.7
161.02359	1.2
163.03830	9.2
164.04221	4.5
173.02220	1.8
174.02722	1.6
184.07375	5.0
191.03276	1.5
215.07028	1.7
216.07381	3.7
242.08800	1.6
255.25850	1.0
259.09610	8.1
260.09924	15.7
269.51584	1.1
277.10696	1.1
287.05441	29.2
288.05789	4.0
297.07452	3.4
306.05746	2.2
325.00256	4.5
343.01236	9.3
344.01303	1.4
361.02258	100.0
362.02612	13.4
363.02570	1.3
366.02942	1.9
379.03314	37.8
380.03580	3.6
384.03860	10.6
385.03976	1.4
399.03986	2.3
402.04974	1.4
416.12222	1.3
417.04822	2.6
453.07883	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01863	1.5
55.05499	1.6
57.03425	7.3
58.03763	1.2
60.27788	0.8
61.02915	1.9
67.05489	2.9
68.99774	1.9
69.03419	7.2
69.07062	1.7
70.54018	3.2
71.01350	1.4
71.04979	42.1
72.05312	8.9
73.02888	1.1
73.05386	2.3
75.04476	1.8
79.05477	1.3
81.03405	2.3
83.04961	2.7
85.02890	54.9
86.03219	12.4
87.03291	5.9
87.04394	1.1
95.04961	9.2
97.02863	3.9
97.06519	10.1
98.03212	0.9
98.20856	1.2
99.04434	2.9
103.03914	2.4
104.06352	0.8
104.53954	1.0
109.02864	2.8
110.51982	0.8
111.00782	1.2
111.04420	2.5
115.05423	1.5
121.02874	3.1
122.03246	1.3
123.03469	0.8
123.04411	1.8
127.03904	9.0
129.05444	9.5
130.05774	2.4
131.05913	2.2
133.89835	0.8
135.04361	1.1
137.02328	5.8
138.02646	1.8
139.02812	1.0
139.03853	1.5
141.06944	1.2
143.04962	1.0
143.08472	0.9
145.04916	3.7
147.04367	1.1
147.06487	2.1
153.01793	6.2
154.02176	2.4
155.02322	1.8
157.04971	1.1
160.05110	4.5
161.05949	13.7
163.03862	8.0
165.01817	2.4
165.05492	1.3
166.02173	1.4
171.08014	1.2
173.02333	2.0
173.05943	3.2
175.07544	0.9
183.02843	1.6
184.03154	0.9
185.05992	0.9
185.09688	1.3
187.05980	1.2
189.05414	6.3
189.09084	18.0
195.07927	2.0
209.04442	0.9
213.08998	4.5
215.07069	8.8
217.08606	3.3
229.04918	2.9
230.05284	2.4
230.29953	0.9
231.05510	2.8
231.10107	2.9
233.07939	1.0
241.08496	0.9
249.11256	1.8
257.04495	2.1
258.04926	1.6
259.05197	2.3
259.09607	29.5
276.05139	0.8
277.10596	6.2
287.05450	25.6
288.05783	24.2
289.05994	51.8
290.06216	1.5
303.04932	37.7
304.01666	1.3
304.05276	41.8
305.05490	100.0
306.05688	4.1
347.06537	1.0
433.14484	2.5
451.15817	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	451.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01857	2.2
55.05497	0.7
57.03417	1.0
67.05497	3.3
68.14025	0.6
69.03411	2.3
69.07053	14.2
71.04971	0.8
73.02904	0.8
74.89252	0.5
79.05477	8.0
81.03394	2.2
81.07016	1.6
83.05006	1.0
85.02891	5.0
89.03890	4.0
93.06979	0.5
95.04937	1.5
95.08572	0.6
97.02888	1.2
97.06509	41.2
98.20715	1.3
99.04421	2.3
103.03943	1.3
105.03406	0.6
105.06989	0.8
107.04923	2.4
109.02874	2.6
109.10079	0.7
117.03358	5.7
127.03887	7.3
129.06998	0.5
133.10153	0.7
134.03606	4.3
135.04378	14.3
145.02812	12.8
145.04915	1.3
159.04430	0.6
161.02350	2.6
162.03105	0.7
163.03876	85.0
164.04202	2.1
173.02266	4.1
187.05966	0.7
213.09039	0.7
215.06975	6.5
241.08606	0.8
259.09610	100.0
260.09924	2.3
314.96262	0.6
359.21902	1.3
359.50745	0.6
366.93719	0.7
415.12427	0.6
416.96564	0.6
433.25507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95793	0.6
53.03943	1.3
55.01858	1.6
55.05487	2.0
57.03413	1.3
57.97755	0.6
58.41403	0.6
63.94644	0.7
64.43097	0.5
67.05476	2.7
69.03402	3.0
69.07057	11.1
70.51162	1.9
70.51497	0.7
71.04984	0.9
73.79307	0.6
79.05478	5.3
81.03393	2.4
81.07037	1.0
83.04983	3.8
85.02882	4.7
89.03876	3.0
91.05460	1.3
93.03409	0.8
95.04929	2.9
96.91963	0.6
97.02868	1.7
97.06515	37.5
98.63551	0.8
99.04388	3.0
103.03928	1.1
107.04922	2.2
109.02833	2.4
111.04408	4.0
117.03349	4.9
118.87707	0.8
119.04965	0.6
123.04494	1.0
127.03898	7.2
129.05450	1.4
133.02814	1.8
134.03595	1.0
135.04384	11.3
139.03879	2.4
145.02829	7.9
145.04929	1.3
147.04376	2.3
147.06491	0.8
157.04959	1.4
159.04349	1.6
161.02327	6.3
161.06041	0.8
163.03877	62.4
164.04164	0.7
167.08511	1.4
173.02328	10.2
173.05937	1.9
175.03833	3.0
179.03320	1.0
185.05972	1.4
185.09645	0.9
187.03841	1.3
187.05952	1.2
187.07439	1.0
189.01810	2.1
189.05441	1.4
191.03287	1.3
193.04918	3.9
193.07030	1.1
195.08008	1.7
199.03954	1.3
205.05037	1.3
207.02852	17.1
213.09161	2.1
215.06985	15.0
217.04990	2.9
217.08658	1.5
223.07552	0.8
231.10100	3.2
235.09572	1.5
241.08582	5.3
259.09622	100.0
260.10019	2.0
271.08148	1.5
277.10657	1.4
289.05942	1.0
309.43518	0.6
398.49170	0.8
433.14676	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.2
54.23975	0.8
55.01852	3.6
55.05494	2.9
57.03419	3.9
61.02922	2.0
67.05488	2.2
68.99755	0.9
69.03417	24.5
69.07046	2.0
69.51773	9.9
71.01318	1.4
71.04975	5.7
73.02905	7.2
79.05457	1.9
81.03405	28.1
83.04965	7.0
85.02890	56.0
85.06527	0.9
91.05473	1.7
95.04940	2.5
97.02874	18.5
97.06490	7.3
98.09680	2.1
98.21462	2.1
99.04434	37.1
103.03926	25.1
105.06995	1.0
105.73648	0.9
107.04945	1.2
109.02858	39.9
111.04415	5.2
115.03907	2.5
115.05482	1.8
117.07001	1.2
117.59770	1.0
120.08082	1.9
121.02887	2.1
121.06467	1.7
123.04359	2.0
127.03892	100.0
128.04268	1.4
128.06184	1.4
129.05431	2.0
129.06990	1.1
131.04872	1.3
131.08592	1.5
135.04343	3.1
137.02344	2.3
137.05965	1.4
139.03848	2.4
141.06981	2.6
143.08557	2.1
145.04935	29.4
145.06310	1.9
147.04384	3.6
151.03859	3.7
152.04243	1.0
155.09131	0.9
157.04915	2.9
157.06482	1.6
159.08023	1.3
160.05226	1.1
161.02356	1.3
161.05928	6.3
163.03900	5.5
163.06009	3.9
163.07402	1.4
167.08565	2.2
169.04942	3.2
169.06477	3.6
171.08009	2.0
173.02306	2.7
173.05957	2.3
175.07501	5.0
177.05505	1.3
177.09279	1.2
185.09503	1.1
187.05980	13.4
187.07549	4.3
189.05446	1.4
189.09096	3.6
191.06987	22.5
191.10745	1.3
193.04918	1.5
195.08046	1.7
197.05792	2.1
199.07552	2.2
200.04643	3.2
203.07008	1.6
203.10640	1.7
205.07033	4.3
205.08684	1.4
210.14828	2.6
211.05943	1.2
213.09024	4.5
215.07004	10.6
215.10544	1.0
217.06967	2.3
217.08716	6.4
229.05066	1.2
229.06754	4.2
229.08946	1.2
231.10088	4.5
235.06041	1.8
235.09653	3.3
241.08632	2.2
245.10170	1.2
247.07887	1.6
253.06885	4.2
259.09619	24.5
271.08051	13.7
277.10696	2.9
289.09128	3.5
289.12158	1.2
300.05832	1.1
301.06192	1.6
331.06952	1.5
349.11520	1.4
354.23801	4.1
397.11685	1.2
415.12421	3.3
433.13574	5.2
451.10626	1.2
451.16034	14.4
451.32413	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01855	0.3
55.05502	1.1
55.05717	0.2
57.07062	3.1
67.05486	1.8
69.07057	1.8
71.04972	0.2
71.08618	2.1
71.83102	0.2
75.12541	0.2
79.05487	1.1
81.03383	0.9
81.07046	2.0
83.04966	0.6
83.08584	0.5
85.02853	0.4
85.10174	1.3
87.04471	0.9
91.05455	0.8
93.07018	0.7
95.04949	2.0
95.08587	1.9
96.08107	0.4
97.06512	0.3
97.10129	0.2
105.06992	1.1
105.38946	0.2
107.04942	0.4
107.08563	0.6
109.02865	1.9
109.06492	0.3
109.10109	0.2
119.08533	0.5
121.10079	0.2
123.04411	2.0
123.08034	0.3
124.07548	0.4
125.05972	0.6
133.10155	0.2
136.05173	0.2
137.05949	0.4
155.14420	0.2
178.36035	0.2
188.72005	0.2
196.43958	0.2
207.17429	2.1
213.85146	0.2
219.01038	0.2
223.12943	0.2
235.16879	2.0
249.18500	1.8
250.21667	0.3
261.18524	0.3
296.22144	1.2
361.30933	100.0
362.31296	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	450.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.4
58.95078	1.4
65.01073	1.4
66.57359	1.5
67.05486	4.2
69.03416	1.5
70.06562	3.8
71.04950	2.0
71.08607	2.1
71.81020	2.8
79.05463	7.5
81.07032	3.9
85.02888	5.3
86.09689	1.7
91.05453	5.8
93.07036	5.1
95.04944	3.8
95.08574	3.7
96.25506	1.6
103.05421	2.6
104.52969	1.6
105.03378	4.2
105.07004	17.4
107.04913	1.7
109.06507	3.3
117.06995	1.7
118.04093	2.5
118.96157	1.8
121.06489	2.1
121.10123	1.8
131.04915	2.2
131.51859	1.8
133.06451	12.7
137.05978	5.4
150.06755	4.6
165.09103	10.8
167.10631	4.1
193.08568	100.0
194.08907	2.9
203.10652	1.8
233.15221	1.8
259.16879	3.1
284.14099	1.7
303.04968	2.0
304.05365	6.1
450.29050	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	450.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03934	0.4
55.01860	0.5
55.05495	0.3
57.03421	0.7
61.02915	0.2
65.03931	0.8
67.05485	0.7
69.03416	1.4
70.06570	0.3
71.04974	1.7
71.80485	0.3
72.05287	0.3
72.08145	0.2
76.63635	0.2
79.05476	0.3
81.03393	1.1
83.04970	0.5
85.02889	3.8
86.03221	0.4
87.04433	0.5
91.05465	0.4
95.04959	0.9
97.02870	1.1
97.06484	0.6
99.04417	0.8
103.03889	0.5
103.05450	0.3
105.03381	0.3
107.04938	0.2
107.08587	0.3
108.02083	0.8
109.02873	1.4
109.10077	0.2
111.04421	0.6
114.18013	0.2
115.03918	0.4
120.08070	1.9
121.02856	0.5
121.03840	0.2
123.04390	0.4
123.08076	0.2
126.19501	0.2
127.03905	2.6
129.05449	0.4
130.05777	0.2
133.04961	0.4
134.06004	0.2
135.04382	0.2
136.01503	0.2
137.01254	0.4
137.02316	6.8
137.05923	0.2
138.02733	0.3
139.07535	1.0
141.05463	2.2
145.04924	0.8
147.04282	0.3
151.03874	100.0
151.04887	4.5
152.04225	1.2
153.01805	0.7
161.05957	0.3
163.03900	0.6
163.07460	0.4
165.01857	0.2
179.03326	0.4
187.05956	0.3
187.07478	0.2
191.03294	0.2
205.06830	0.2
215.07005	0.6
217.08531	0.5
221.11540	0.2
223.07425	0.3
229.06992	0.2
230.05244	0.3
231.10048	0.2
235.09724	0.2
250.67355	0.2
259.09540	1.0
265.08545	0.2
270.11197	31.7
271.11530	0.5
287.05597	0.3
288.05780	0.7
288.12170	1.3
297.11206	0.5
299.07584	1.0
303.04907	3.6
304.05264	8.0
305.05606	0.4
314.13681	0.4
348.02951	0.2
432.16278	0.8
450.11218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86397	0.5
55.05483	2.0
56.05020	3.7
57.07064	7.0
67.05505	2.5
69.07052	2.9
70.06573	2.2
71.04971	1.4
71.08614	8.1
71.21150	0.5
71.79581	0.6
72.08139	2.7
79.05478	0.8
81.07035	5.5
82.06556	3.2
82.56474	0.5
83.08599	1.1
84.08123	1.2
85.02893	0.7
85.10157	4.0
85.77908	0.5
93.07000	0.7
95.08582	7.0
96.08091	1.7
98.06042	0.7
98.09672	100.0
99.10013	1.0
105.06976	0.6
109.10148	0.8
119.04874	0.7
123.04447	0.7
147.11690	0.6
151.07394	0.6
155.14284	1.6
165.05463	0.9
171.53061	0.5
226.21758	0.6
250.21826	1.2
252.23177	27.7
253.23483	1.1
277.23566	0.8
295.27393	15.7
296.27771	0.8
303.05038	0.8
307.23669	0.6
403.35574	1.0
431.35071	0.8
449.41010	51.5
450.41232	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	450.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01081	0.4
55.01844	1.2
55.05490	0.6
57.03414	2.0
61.02901	1.0
69.03410	8.6
69.07045	0.5
70.06561	0.9
71.04979	17.9
71.81322	1.2
73.02898	1.3
79.05463	0.6
81.03401	9.2
83.01339	0.6
83.04954	2.1
84.08149	0.7
85.02890	17.3
86.09685	1.3
87.04451	0.7
89.06011	100.0
91.05450	5.5
95.04948	1.0
96.08113	0.8
97.02871	41.4
99.04425	6.8
103.03935	1.3
107.04932	4.6
109.02857	15.7
111.04383	2.6
115.03894	1.7
115.91083	0.6
117.05457	0.7
120.08118	1.4
121.02857	1.7
123.04424	3.1
124.06823	0.6
124.07565	19.2
127.03883	19.8
129.05473	1.4
133.06410	0.7
134.06006	2.1
135.04398	1.8
135.06500	25.0
135.07523	1.2
137.02318	7.4
137.03368	0.8
137.05978	1.6
138.05457	0.6
138.09097	0.9
139.03870	0.7
145.04930	19.7
147.04420	1.3
147.06535	0.7
150.05516	1.3
152.07065	1.9
154.02081	0.7
163.03851	3.2
163.06007	1.3
167.06963	1.2
177.05518	0.9
177.07587	0.9
181.04802	0.9
197.08112	2.4
199.05910	0.6
203.03400	1.9
207.10231	0.7
215.07101	0.7
215.09157	2.5
233.10080	0.8
234.11249	1.2
234.96962	0.6
235.09708	0.7
243.08589	4.0
252.97960	1.7
255.08353	0.5
261.09656	11.8
270.13428	3.0
271.11920	0.8
279.10654	1.3
287.05453	5.2
288.05807	12.2
288.08685	1.9
288.14597	2.6
289.05609	0.6
304.05273	0.7
330.06940	0.6
374.74814	0.5
409.65948	0.6
427.03171	0.8
450.19498	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03931	0.3
55.05507	0.3
57.03151	0.2
57.03424	3.7
59.04992	0.3
61.02905	0.2
65.03912	0.4
67.01835	0.2
67.05466	0.3
68.99765	0.3
69.03394	0.7
69.70196	0.6
69.70596	1.6
70.06571	0.3
71.04978	25.1
72.08124	0.3
73.02893	0.4
75.04449	0.7
78.32681	0.2
81.03397	0.5
81.07024	0.4
83.04961	0.4
85.02890	24.9
87.04453	0.5
91.05453	0.2
93.03405	0.4
93.07044	0.3
95.04939	0.3
95.08592	0.4
97.02845	0.2
97.06481	0.2
98.20617	0.3
99.04423	0.3
109.02864	0.4
111.00783	1.1
111.04414	0.4
114.09088	0.3
118.52028	0.2
121.02819	0.7
127.03850	0.6
129.04529	0.5
129.05452	6.3
136.07509	0.3
137.02307	4.0
140.10257	0.3
142.08644	0.3
143.07037	0.2
145.02773	0.4
145.04918	0.2
145.06499	0.3
147.06494	1.4
149.02295	0.4
151.03874	2.4
151.04921	0.4
153.01799	4.1
163.03836	0.8
164.07051	0.3
165.01796	2.3
173.05893	0.6
179.03246	0.3
183.02826	0.7
183.04385	0.5
187.03754	0.2
192.83699	0.2
201.05417	1.6
211.03828	0.3
213.05293	0.2
219.06578	0.3
229.04901	4.1
247.05988	0.6
257.04419	3.0
270.11258	0.6
274.04681	0.8
285.03931	1.4
286.10397	0.3
287.05496	1.0
290.11255	0.5
299.05170	0.5
303.04935	100.0
304.01990	0.4
304.05249	3.2
315.04974	0.4
345.06079	0.8
362.87610	0.3
369.06046	0.4
395.07382	0.3
413.08383	0.6
431.09613	0.4
449.10251	1.4
449.15585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
57.03431	8.7
61.97542	0.4
63.41143	0.4
66.27129	0.4
66.69285	0.4
68.99763	0.6
71.04983	5.5
71.12488	1.0
71.12843	0.5
72.56741	0.4
73.02906	4.0
75.04471	27.5
83.04957	0.5
85.02426	0.7
85.02892	5.7
95.04949	0.6
110.16390	0.4
111.00775	1.1
112.28033	0.4
112.99548	0.4
121.02869	0.7
129.05458	0.9
137.02342	4.1
153.01820	4.3
165.01826	1.5
166.02599	0.5
183.02834	1.0
183.04346	0.7
199.38268	0.5
201.05449	2.2
220.37891	0.4
229.04881	3.5
247.05992	0.9
257.04477	2.3
274.04669	0.8
285.03836	0.7
287.05460	21.5
302.04312	0.6
303.04953	100.0
304.05374	3.2
305.05542	1.1
317.06482	1.7
449.10736	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	449.1072
Annotation	6-C-Galactosylisoscutellarein
Peak:m/z	Relative Intensity
50.91770	0.7
54.00659	0.7
55.52930	0.6
57.03398	0.9
62.98792	0.7
70.16248	3.5
81.03413	1.0
85.02875	2.4
89.03870	0.7
94.77704	0.8
95.04950	0.8
98.21484	0.9
109.02847	2.1
121.02818	2.0
127.03901	0.7
135.04369	3.6
137.02316	8.1
141.01805	2.1
147.04338	1.0
149.02301	1.6
150.91162	0.7
154.35483	0.7
161.02299	2.8
163.03882	2.0
165.01816	15.2
167.03365	4.1
175.03906	1.1
177.01839	1.4
179.03363	1.8
181.04977	0.8
183.02870	6.8
187.03859	1.6
191.03354	1.9
195.02834	2.1
233.04500	0.9
245.04317	1.2
272.06659	1.0
283.05945	6.6
286.04669	3.7
287.05405	7.3
295.06006	2.3
297.07462	7.9
299.05447	100.0
300.06104	10.4
301.06458	1.0
311.05487	12.8
311.09036	2.5
313.03403	0.9
313.06958	2.6
321.07428	2.5
323.05463	2.7
324.06155	2.0
325.03433	2.0
325.06961	22.1
329.06503	81.0
330.06934	1.9
337.07037	3.3
339.04663	1.3
339.08548	15.9
349.07077	4.0
353.06506	41.1
354.06619	1.3
365.06534	12.1
367.08167	3.6
377.06384	8.4
383.07562	26.1
395.07599	20.9
413.08588	24.4
431.09674	19.3
449.10764	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	449.1071
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
54.68907	0.1
60.31822	0.1
65.03916	0.2
66.67368	0.1
68.99757	0.5
69.03405	0.2
71.01349	0.1
79.05461	0.2
81.03399	0.1
85.02870	0.3
86.09700	0.1
91.05442	0.1
91.73145	0.1
92.55801	0.1
95.04961	0.1
96.13375	0.1
97.02878	0.2
102.85059	0.1
103.03886	0.1
103.05450	0.1
105.03354	0.3
105.06953	0.1
107.04930	1.7
108.05250	0.5
109.02848	0.2
111.00771	0.8
111.04405	0.2
115.05421	0.1
117.19346	0.1
121.02840	2.5
121.06458	0.2
125.05960	0.1
127.03873	0.3
129.06979	0.1
131.04890	0.1
133.02800	0.5
135.04391	0.2
137.02316	1.5
137.05902	0.1
143.04897	0.2
143.06985	0.1
144.05252	0.1
145.00606	0.1
145.06458	0.3
145.74252	0.1
147.04364	0.7
149.02306	0.1
153.01799	4.0
153.03049	0.2
157.06425	0.4
159.08084	0.1
161.05952	0.1
163.03894	0.1
165.01808	1.9
166.02518	0.1
167.06990	0.1
169.06471	0.1
171.04437	0.2
175.03854	0.1
175.07529	0.2
178.08528	0.1
178.45877	0.1
183.02902	1.0
183.04422	0.1
183.08051	0.1
185.05902	0.5
189.05405	0.2
197.05923	0.2
203.03345	0.1
213.05432	1.4
214.05717	0.1
217.04895	0.1
229.04939	0.1
229.08519	0.1
231.06500	0.7
238.09433	0.1
241.04866	1.0
243.06554	0.2
257.08060	0.1
258.05222	1.0
259.06076	0.5
269.04410	0.2
269.11691	0.1
270.11966	0.3
286.14508	0.2
287.05432	100.0
288.02722	0.1
288.05756	2.0
299.05557	0.1
303.04919	0.2
329.06424	0.1
408.99445	0.1
449.10474	1.1
449.19980	1.9
469.13998	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1068
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
53.45729	0.4
55.01857	0.6
57.03429	4.9
58.22593	0.4
68.99783	0.9
70.07733	2.5
71.04979	29.6
79.53220	0.5
83.04972	0.6
85.02891	28.6
93.03403	0.5
95.04971	0.5
96.32526	0.4
100.15730	0.4
104.48424	0.4
109.02873	0.7
109.39143	0.4
111.00760	0.8
111.04449	0.5
121.02846	1.0
129.05464	8.6
129.89566	0.4
137.02345	3.1
144.62325	0.4
147.06473	1.0
149.02364	0.5
153.01794	4.2
163.03909	0.7
165.01811	1.6
173.05939	0.5
175.65311	0.4
183.02870	0.8
192.01944	0.5
201.05464	2.1
219.06488	0.6
229.04919	4.5
247.05901	0.9
257.04364	2.8
274.04523	0.6
285.03928	1.5
303.04944	100.0
304.05374	2.8
339.62900	0.4
344.27084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1071
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.45403	0.3
57.03406	0.5
59.30473	0.3
60.04334	0.3
61.02916	6.7
68.99776	0.6
69.03397	1.0
69.80342	2.3
69.80707	0.3
73.02910	1.7
74.70668	0.3
85.02893	5.0
87.72674	0.3
91.03938	3.9
97.02875	3.2
98.59137	0.3
99.04398	0.4
105.03379	0.5
106.76196	0.3
107.04919	0.3
111.00774	0.7
111.04352	0.4
121.02856	2.3
124.50745	0.3
127.03865	0.8
133.02774	0.3
137.02322	0.7
145.04944	0.5
147.04399	0.6
147.71408	0.3
153.01808	3.8
157.06490	0.4
165.01857	1.8
168.07886	0.3
183.02855	1.2
187.56436	0.3
213.05397	1.3
231.06453	0.9
241.04839	0.5
258.05240	0.9
259.06024	0.5
287.05450	100.0
288.05838	2.0
303.04883	0.3
315.15952	0.3
425.73325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0863
Annotation	XL147
Peak:m/z	Relative Intensity
57.03386	0.4
69.51796	0.4
69.59064	3.5
71.04974	3.6
73.02864	1.3
75.63577	0.4
85.02426	0.4
85.02887	4.2
88.38981	0.3
92.70467	0.3
121.02806	0.4
123.04413	6.1
129.05437	0.4
141.06940	0.5
147.04367	1.4
150.56265	0.3
153.01775	0.6
160.89116	0.3
163.76418	0.3
171.04457	0.5
179.04987	0.6
185.05934	0.4
190.99709	0.4
195.04344	1.2
196.05200	1.1
197.05911	1.8
201.05533	0.7
205.34480	0.3
213.05437	8.3
214.06255	1.8
223.03874	0.7
225.05417	1.8
229.04979	0.5
241.04929	5.1
242.05708	3.8
253.04926	0.6
269.04419	11.5
270.05179	8.1
271.05536	0.5
274.58313	0.4
285.03897	2.3
287.05453	6.9
297.03885	100.0
298.04605	23.0
299.05197	1.5
303.04929	13.6
304.05331	0.6
308.52316	0.3
309.04025	1.7
311.05405	2.5
327.04922	9.0
332.84430	0.4
431.07379	0.7
449.08624	89.2
450.08942	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	449.1074
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
60.45835	0.1
67.01832	0.4
68.85526	0.1
68.99789	0.3
70.03633	0.2
70.04043	0.5
76.93388	0.1
89.03908	0.2
107.04901	0.2
111.00772	0.1
111.04417	0.1
117.03365	0.2
129.01825	0.1
130.46765	0.1
135.04385	1.5
137.02322	0.4
141.29207	0.1
151.03877	2.0
153.01804	4.2
161.02292	0.5
171.02861	0.3
179.03345	0.2
185.06049	0.2
226.40762	0.1
241.04903	0.5
259.05942	0.1
269.04355	0.4
270.11234	0.7
287.05441	100.0
288.05777	2.3
303.04828	0.1
317.87741	0.1
449.10727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03395	0.5
62.66487	0.3
67.05481	0.4
69.03409	0.5
69.68509	0.4
69.68918	1.9
71.04978	3.0
73.02863	0.7
77.03831	0.3
81.07027	0.3
85.02897	2.6
91.05427	0.6
95.04887	0.3
100.38947	0.2
119.04924	1.5
123.04398	9.0
129.05415	0.5
132.62851	0.3
137.02252	0.6
139.05399	0.3
141.06897	0.4
147.04385	2.3
153.01785	0.4
165.05464	0.4
167.04872	0.3
185.05956	0.8
191.81078	0.2
195.04361	1.0
197.05920	0.4
199.03896	0.4
201.05495	0.4
213.05428	7.4
214.05992	0.9
223.03845	1.6
227.03423	0.4
229.04893	0.8
237.05418	0.3
241.04909	5.8
242.05608	1.0
243.02803	0.3
243.34732	0.3
253.04845	0.3
255.06529	0.4
257.04370	0.4
269.04401	15.9
270.05103	2.4
281.04349	0.6
285.03870	2.4
287.05438	5.5
293.04352	0.7
297.03873	100.0
298.04453	7.1
299.05124	0.3
303.04944	9.9
304.05301	0.5
309.03943	0.8
311.05368	3.2
327.04907	6.1
339.04962	0.8
402.19086	0.3
431.07590	0.5
449.08606	64.6
450.08981	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	448.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	1.7
58.31301	0.2
64.64000	0.2
67.05467	0.4
69.07056	0.3
69.51174	0.2
71.04951	0.2
71.08614	1.5
72.08125	0.2
79.05415	0.2
81.07040	1.0
85.10155	0.7
93.05782	0.5
95.08569	0.7
95.73721	0.2
98.09673	2.5
98.31347	0.2
105.07024	0.3
116.75632	0.2
120.08080	5.9
122.08788	0.3
122.09649	3.4
133.08821	0.2
135.06801	0.5
150.09109	0.6
162.09116	4.4
163.09859	0.3
164.10681	0.4
234.18443	0.5
252.23216	0.6
274.21616	6.6
275.22144	0.2
276.23169	100.0
277.23474	2.0
285.17847	0.2
295.27417	0.3
420.22690	0.5
430.36710	6.6
431.37000	0.3
448.21942	0.5
449.41229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3414
Annotation	Verticine N-oxide
Peak:m/z	Relative Intensity
55.05481	0.7
57.07061	0.9
62.02061	0.2
63.15438	0.2
67.05475	0.4
69.07049	0.8
69.80505	0.1
70.12983	1.0
71.08626	1.0
75.17423	0.2
79.05479	0.4
80.05029	0.2
81.07030	0.6
83.08521	0.2
85.10162	0.5
88.07609	0.2
93.05769	0.6
93.07036	0.3
94.06532	0.7
95.08595	0.7
105.06997	0.2
106.06543	1.2
107.07323	0.5
107.08548	0.3
108.04443	0.2
118.06497	0.8
119.07312	0.2
119.08504	0.2
120.04441	0.8
120.08093	0.9
122.06003	0.7
123.74643	0.2
127.44582	0.2
131.07344	0.2
132.08035	0.4
133.08795	0.3
134.05994	0.3
134.09628	0.4
135.06775	2.4
136.07603	0.4
146.09610	0.4
148.07545	2.5
148.11197	0.2
149.08356	1.2
151.06239	0.4
160.07526	1.0
161.08365	0.3
162.09109	1.0
164.07080	0.2
174.09065	0.9
174.12793	0.2
175.04013	0.2
176.10660	0.4
180.06528	0.2
188.10736	0.2
193.07314	0.5
194.08136	0.2
204.13947	0.2
206.08028	0.8
206.19032	0.6
218.19040	0.5
220.20613	0.6
232.16833	0.3
232.20541	0.5
234.18559	0.3
244.16951	0.3
246.18591	0.8
248.20067	4.8
258.22116	0.2
260.20053	4.2
262.21576	0.2
264.19553	0.3
272.20056	1.9
274.21606	2.6
286.21606	1.6
288.19519	0.7
288.23190	0.5
292.19067	0.7
300.19543	0.2
300.23254	0.3
302.21011	0.2
302.24619	0.2
303.04959	0.6
306.20575	1.2
318.20447	0.8
336.21646	0.3
342.31693	0.2
356.29514	0.2
358.30942	0.4
360.32547	10.7
361.32761	0.3
362.33231	0.5
372.32748	1.2
374.34058	1.1
382.31210	0.2
386.34119	15.5
387.34439	0.5
400.32028	7.5
418.33093	17.4
419.33496	0.3
430.28564	0.2
430.33151	1.9
448.34149	100.0
449.34570	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	448.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88591	0.3
53.57826	0.3
55.05491	0.5
56.05009	0.4
57.07050	1.4
59.72247	0.4
63.74282	0.3
67.05470	1.4
68.57751	0.3
69.07026	0.8
70.07337	0.3
70.53420	0.3
70.75581	1.1
70.75921	0.4
71.04939	1.0
71.08620	1.9
79.05467	0.5
81.07050	1.9
83.08622	0.3
84.04479	0.7
84.29082	0.3
85.02841	0.4
85.10150	1.1
93.07008	0.6
94.97722	0.3
95.04953	0.5
95.08572	1.5
97.06542	0.3
117.86497	0.3
121.10076	0.5
124.55656	0.3
135.07996	0.3
165.06987	1.5
167.08521	1.2
172.08174	0.3
177.06953	1.2
178.07755	1.0
179.08513	1.4
180.09312	1.2
181.06537	0.5
189.06906	1.9
190.07748	6.1
191.08530	50.6
192.08862	2.0
192.17372	0.6
193.06514	0.5
194.07182	2.3
195.08018	3.0
198.18497	1.5
201.06989	1.1
202.07819	1.0
203.08549	1.1
204.09196	0.4
205.06465	1.4
205.10052	0.8
207.08072	1.7
208.08818	6.4
209.09001	0.4
210.18513	7.1
217.06450	0.6
218.07253	2.1
219.08018	79.0
220.08359	2.4
221.09558	3.0
223.11124	0.5
229.07576	4.8
235.07494	0.8
236.08292	13.2
240.07578	0.4
251.10638	100.0
252.10896	3.5
263.09396	0.5
278.11765	2.6
294.14841	8.5
303.04926	1.4
333.15338	0.4
416.25580	0.4
436.78552	0.4
448.28430	82.1
449.28748	4.5
455.51678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2838
Annotation	Metachromin R
Peak:m/z	Relative Intensity
55.05476	0.8
56.05005	1.0
57.07066	2.9
62.48549	0.3
67.05470	1.3
68.04983	1.1
69.07030	1.2
70.02919	0.9
70.41454	0.9
71.04962	0.4
71.08620	3.5
79.05477	0.4
80.04981	0.4
81.07038	2.8
83.08596	0.4
84.04487	3.0
85.10168	1.8
91.05460	0.5
94.06557	0.4
95.08587	3.1
96.04430	0.5
98.06027	0.4
98.20842	0.3
99.06793	1.3
154.08220	0.3
154.94974	0.2
155.14240	1.0
161.67780	0.3
165.06943	1.3
166.07457	0.3
167.08505	0.4
178.07808	0.8
179.08519	1.7
180.09309	1.8
189.06970	2.9
190.05992	0.5
190.07738	11.6
191.08517	100.0
192.08849	3.7
192.17458	1.7
194.07271	0.6
195.08057	1.4
198.18492	0.6
202.07715	0.7
203.08429	0.5
205.06479	0.5
205.10112	3.1
205.92996	0.3
207.08008	4.0
208.08792	6.2
209.09152	0.6
210.18491	13.0
211.18880	0.4
217.06425	0.7
217.10133	0.4
218.07285	2.5
218.09299	0.5
219.08009	52.0
220.08731	9.3
221.09326	0.6
223.07484	1.7
224.08301	1.3
224.83440	0.3
233.09616	1.8
234.09077	0.4
235.07491	1.1
235.09656	0.3
236.08273	16.0
237.08797	0.9
244.11279	0.3
245.09579	1.1
246.09258	0.3
251.10631	38.7
252.10886	1.5
261.11456	0.6
262.08841	0.5
262.12241	7.0
263.09366	7.0
263.12207	0.5
278.11710	36.3
279.12076	1.7
294.14832	6.9
295.15112	0.4
303.04968	0.6
398.24728	0.5
407.29733	0.3
416.20282	0.5
416.25717	8.0
417.26102	0.5
448.28403	83.3
449.28760	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	448.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74878	0.2
53.03919	0.2
54.87407	0.2
59.04995	1.3
69.03420	0.5
69.07060	0.5
71.80773	0.5
72.08137	0.4
79.05464	0.8
81.03410	0.5
84.04483	2.1
84.08173	0.3
85.02895	0.8
86.09698	0.8
86.28243	0.2
87.05554	0.3
89.06032	0.6
91.05398	0.5
93.07030	0.9
95.04952	0.4
97.02850	0.4
103.05444	6.0
103.06147	0.4
106.02896	0.9
107.04910	2.1
108.08131	0.3
112.35136	0.2
120.08083	100.0
121.06477	1.9
121.08531	4.8
124.03931	2.0
124.07572	0.3
126.05488	1.9
127.03944	0.6
131.04906	2.4
134.06007	0.5
138.05495	0.3
138.09116	0.8
141.10155	0.4
145.02734	0.3
147.04396	0.5
149.05965	1.9
152.07018	0.6
163.03886	1.7
166.08607	58.6
167.08890	1.7
170.08034	0.3
187.10789	0.3
200.13940	0.3
204.08615	0.5
212.09180	0.4
229.11740	0.5
246.14406	1.3
259.11844	1.0
268.08051	1.0
287.05521	1.9
302.12393	0.6
303.04871	0.4
362.02621	0.4
433.72415	0.2
448.19104	2.0
449.15924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1959
Annotation	Glycoerysodin
Peak:m/z	Relative Intensity
53.03936	0.6
54.84895	0.3
55.01855	0.6
57.03430	0.6
59.52114	0.4
61.02905	1.4
61.65632	0.4
69.03416	2.9
70.94894	1.0
71.04974	0.7
79.05483	0.8
81.03388	1.5
85.02887	6.1
87.04449	0.8
87.78232	0.3
91.05457	1.6
95.04943	1.5
97.02850	2.1
99.04446	0.5
103.05450	0.9
107.04934	91.3
108.05266	0.9
109.02892	1.1
109.06439	0.4
115.05432	8.9
117.07001	1.2
119.04875	0.6
121.02859	1.3
121.06482	5.3
124.07590	1.5
127.03876	1.0
129.07001	0.4
131.04945	2.1
131.32852	0.4
132.67134	0.4
137.05948	12.1
140.87064	0.4
143.04898	18.8
144.05367	0.4
145.06459	10.5
148.07549	0.6
151.07515	1.0
155.06026	0.6
160.05191	0.8
161.05908	1.0
163.07527	1.3
166.07661	0.5
175.07518	8.6
178.08609	6.3
181.06500	1.0
181.10097	1.0
182.49176	0.4
191.08569	1.4
192.10175	0.9
194.07239	1.7
209.09587	6.2
211.11195	0.4
219.08035	0.9
237.09067	10.1
238.09764	0.8
239.06926	1.1
240.07780	0.6
251.10707	0.7
254.09306	1.0
269.11688	35.3
270.12125	1.2
281.11575	0.6
284.12701	1.9
286.14319	45.0
287.05460	1.4
287.14661	1.4
414.80798	0.5
448.19598	100.0
449.19934	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	448.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
56.04990	1.1
57.05804	0.4
60.05623	0.8
61.02867	0.4
67.05471	0.6
69.03391	1.3
69.64611	0.9
69.65017	3.0
70.06557	0.8
79.05442	0.9
81.03397	0.5
83.04933	0.8
83.06040	1.1
84.04462	0.7
84.05283	0.3
85.02858	1.5
85.84594	0.4
86.09661	1.1
89.02384	0.4
91.05429	0.5
95.04913	0.9
97.02869	0.4
97.07621	0.5
99.05529	0.5
105.03343	1.3
105.05735	0.7
106.06508	1.1
107.04934	14.7
109.02856	0.5
110.05978	0.4
111.04414	0.9
111.05535	4.7
113.07074	1.1
115.05389	1.3
119.04903	0.5
120.04447	9.3
121.02821	0.6
121.06479	0.9
123.05516	0.7
124.07563	0.9
126.05627	0.7
126.06615	6.7
127.03913	0.8
131.04912	0.5
132.04431	16.3
132.05437	1.0
132.08032	0.7
133.05086	0.4
134.05988	6.8
137.04631	1.1
137.05919	1.9
140.08165	0.6
143.04889	3.1
145.06454	1.8
146.02362	0.7
147.04378	0.4
151.04016	0.4
151.06119	5.5
160.07449	0.4
161.07162	0.5
168.08766	1.7
175.07478	1.4
175.08792	0.5
178.08595	1.2
184.71878	0.3
194.07265	0.4
202.09723	10.3
209.09555	1.3
215.08070	0.4
216.11325	2.3
230.09207	7.5
231.12355	0.8
232.10876	3.1
234.85698	0.4
237.08992	1.8
242.09224	3.4
247.07527	0.4
257.10275	3.7
259.11868	63.1
260.12128	1.4
269.11703	5.0
277.12909	1.8
284.11237	2.8
286.11078	0.4
286.14325	6.5
287.05429	16.3
301.14047	4.2
302.12424	24.9
303.05029	0.6
303.12650	0.7
319.15091	1.5
362.18286	0.8
406.17175	10.9
413.15762	0.9
430.18323	1.4
431.16736	0.8
448.19388	100.0
449.11139	0.4
449.19748	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	448.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05493	0.6
57.03403	0.8
65.03913	1.5
67.05480	2.0
69.03422	6.1
69.28916	0.7
69.60412	5.3
71.04980	4.2
73.02898	1.3
79.05476	4.1
81.03407	4.9
81.05772	0.9
81.07027	0.8
83.04955	1.3
84.04477	1.6
85.02895	8.2
85.03972	0.7
86.06056	0.8
86.09679	1.9
89.06017	9.7
91.05809	1.1
92.04982	2.6
95.04937	1.6
96.08149	3.1
96.08633	0.6
96.42467	0.6
97.02875	6.8
99.04424	2.2
102.05502	0.7
106.02886	1.2
106.06539	35.8
107.01264	0.6
107.04944	1.6
108.08101	42.3
109.02872	3.4
109.05225	1.0
109.08401	0.8
121.02845	0.7
121.06467	0.8
123.06773	5.1
124.03936	3.0
124.07578	21.5
127.03918	4.9
130.04990	0.7
134.05992	18.8
136.07556	14.5
137.02275	1.1
145.04948	2.7
148.06027	2.5
150.05507	0.7
151.03891	0.9
152.07045	70.2
153.07455	0.8
154.08595	1.4
163.03914	2.1
168.06621	0.6
170.08107	31.7
194.08131	0.8
195.07947	0.7
214.88628	0.7
223.97549	0.7
245.91862	0.7
250.07199	0.7
251.96927	0.7
252.97923	1.4
259.11755	0.9
268.08176	1.5
269.08136	1.2
271.15738	0.7
275.97165	1.5
287.05392	3.6
314.12146	0.7
362.01834	0.7
412.16354	1.4
430.17111	19.9
431.17902	1.2
448.18109	100.0
449.18823	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	448.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01862	0.2
55.05484	0.8
61.02909	0.3
67.05505	0.2
68.04997	0.3
69.03398	0.8
69.97850	0.3
69.98264	1.0
71.04972	0.5
76.52940	0.2
79.05475	4.2
80.05004	1.6
81.03403	0.6
81.05779	4.9
81.07030	2.7
82.06557	0.4
83.04977	0.4
85.02885	2.0
86.09681	0.3
94.06548	0.8
95.04936	1.4
96.04461	0.4
96.08112	16.6
97.02872	0.7
97.06544	0.2
99.04440	0.3
103.03928	1.0
105.03369	10.1
106.06538	2.7
107.04939	5.5
109.02817	1.0
115.05424	0.5
121.02828	0.4
121.06522	0.3
122.06098	0.2
123.04405	1.0
124.07566	100.0
125.07906	1.1
127.03893	1.7
133.02832	0.3
135.04411	0.3
137.02345	1.0
137.05959	1.0
141.01782	0.3
141.50717	0.2
142.08618	0.4
143.04913	0.9
145.04924	0.7
145.06462	0.7
147.04468	0.3
149.02324	0.4
150.05473	0.3
151.03862	0.9
157.63780	0.2
161.02307	0.2
163.03871	0.3
163.05983	0.7
163.25972	0.2
165.01799	1.4
167.03371	0.5
175.07536	0.5
177.01801	0.3
178.08583	0.4
183.02887	0.8
191.03235	0.4
195.02885	0.4
209.09669	0.4
237.09171	0.5
254.08173	0.4
255.06442	0.2
269.04489	0.2
269.11691	2.0
283.06009	0.9
286.04535	0.3
286.10684	2.5
286.14316	2.7
287.05557	1.2
297.07620	0.9
299.05429	11.6
300.06143	1.1
303.04922	2.1
307.10269	0.5
311.05441	1.3
313.07117	0.3
321.07510	0.3
323.05530	0.2
324.06277	0.3
325.07047	2.6
329.06509	8.0
329.45795	0.2
337.06863	0.3
339.08502	2.0
349.07083	0.6
353.06494	4.0
365.06485	1.5
377.06543	0.8
383.07547	2.3
395.07446	1.8
413.08636	2.2
431.09607	1.6
448.19839	5.9
449.10742	1.1
469.86935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	45.1
57.06354	3.9
57.07063	86.4
67.05494	9.4
69.07056	93.5
70.02475	12.3
70.02888	12.8
71.08617	67.4
75.34898	3.5
79.05493	4.3
79.56567	3.4
81.07056	18.4
82.61443	3.6
83.08147	6.3
83.08601	70.7
85.10167	38.0
93.07014	6.9
95.08584	20.0
97.10147	69.8
98.20686	6.7
99.04450	5.4
105.07024	8.9
107.08568	13.4
109.10119	10.2
111.11697	51.9
121.06493	6.6
125.13245	15.3
135.08014	12.0
137.05945	7.3
137.09589	9.3
139.03899	22.4
139.07507	16.8
149.09576	7.5
151.07501	14.4
153.05441	4.0
153.09058	10.7
153.16394	4.1
163.03893	4.3
163.07509	5.6
163.11111	8.5
165.09102	69.0
167.07024	11.6
169.08543	10.8
169.25914	3.8
177.09090	12.7
179.10585	6.8
181.04929	48.6
181.08527	32.6
181.10016	5.8
191.10643	6.4
197.13376	3.4
205.12210	8.9
221.11726	10.6
288.58899	3.7
389.17526	5.3
419.22198	13.3
425.43527	4.2
429.37442	25.0
447.21423	68.9
447.38599	100.0
448.21918	10.6
448.38388	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	447.3825
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
51.32897	2.4
53.03925	4.1
55.05499	45.5
55.52108	2.7
57.07064	75.7
61.83295	2.6
66.39494	3.4
67.05492	10.8
69.07054	100.0
70.63531	2.9
71.08620	52.1
79.05473	2.9
81.07034	23.8
83.04960	5.6
83.08606	67.0
85.10162	32.3
91.05449	5.6
93.07030	9.7
95.08580	22.7
97.10150	61.8
98.20618	4.7
98.21304	12.3
99.11737	4.1
105.07042	4.5
107.08588	10.2
109.10132	9.5
109.10857	2.6
111.11694	49.0
116.54390	2.7
119.08579	4.8
121.06473	6.5
123.11765	3.2
125.13270	16.9
133.69167	2.7
135.08047	11.5
135.11713	3.0
137.06030	3.2
137.09584	8.5
137.13206	4.6
139.07542	20.0
139.14772	4.8
149.09598	8.9
149.13243	2.6
151.07516	18.4
151.14819	3.0
153.09029	12.9
155.14307	4.3
159.07976	3.2
159.49374	2.6
163.07605	4.6
163.11137	3.8
164.08282	5.1
165.09071	75.7
165.10396	5.9
167.07005	45.1
169.08577	10.0
173.09630	4.6
175.07471	3.1
177.09087	6.7
179.10649	7.0
181.08562	33.7
187.11215	3.2
191.10670	13.2
205.08669	3.9
205.12218	8.3
227.19926	4.1
264.81232	2.8
275.23718	5.8
295.97574	2.7
306.93475	2.9
335.47995	2.7
429.26465	4.2
429.37469	30.2
430.37869	12.3
447.21555	8.9
447.38495	85.5
448.38416	3.3
472.22491	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	447.3823
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03937	2.4
55.05501	44.0
57.07065	67.8
67.05484	7.0
69.07056	93.8
69.61846	9.9
69.62273	6.6
71.08619	52.5
79.05482	2.7
81.07039	9.8
83.01330	2.0
83.08606	68.5
85.10168	31.2
90.14520	1.6
91.05449	2.3
91.65259	1.6
93.07011	4.5
95.08588	7.5
97.10150	60.0
99.11719	6.0
105.07040	1.9
107.08578	5.6
109.10146	5.7
111.10945	3.6
111.11702	51.6
113.13289	3.5
119.08584	2.8
120.64912	2.0
121.06478	7.0
121.10130	2.6
123.08067	2.2
125.13244	19.5
127.14808	2.0
135.08023	10.4
136.08838	2.7
137.09644	8.1
139.07509	19.8
139.14774	7.0
149.02321	9.6
149.09605	7.7
151.07503	13.1
153.09058	13.4
161.09636	1.8
163.07498	4.0
163.11154	4.5
164.08308	6.5
165.09087	78.8
165.90797	1.6
166.06190	3.7
167.07027	3.1
169.08540	11.2
175.11171	2.0
177.09024	10.1
179.10654	5.4
181.08574	34.9
187.34407	1.9
191.10638	7.8
205.12236	9.6
210.57643	1.8
235.25047	1.7
333.60339	2.0
429.37289	19.0
430.37979	17.3
447.38235	100.0
448.38382	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	447.346
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
51.49254	1.2
55.05505	18.6
57.07067	10.1
66.91286	1.2
67.05498	6.9
69.07058	30.1
71.08613	8.5
79.05476	4.4
81.07040	14.0
83.04934	1.8
83.08598	14.7
85.10150	2.6
85.85480	1.3
91.05471	4.2
93.07017	6.3
95.08592	13.3
96.60199	1.2
97.10151	10.2
105.07018	2.0
107.08564	3.2
109.06469	2.5
109.10137	5.9
111.11696	4.4
119.08575	2.5
120.29150	1.6
121.06512	2.8
121.10113	3.4
123.08009	2.5
123.11682	6.0
125.13257	2.1
133.06479	1.4
133.10118	2.6
137.05933	10.5
139.07462	3.5
141.05472	2.2
145.10025	2.1
147.07994	3.1
149.05991	3.5
149.09505	1.7
151.07521	21.2
151.14821	2.6
157.10107	2.1
161.05942	4.3
163.03906	1.9
163.07542	2.3
163.14830	1.8
165.05470	11.0
165.09056	7.7
166.06212	1.5
167.07016	100.0
175.07571	4.5
175.11156	2.7
177.09123	4.4
179.06956	4.6
179.10655	2.8
181.08601	5.9
189.09097	8.6
191.07054	4.0
191.10614	2.1
193.08562	5.6
203.10568	4.4
205.08583	12.1
205.12149	1.6
207.10065	8.7
209.44234	1.6
217.12212	3.5
219.10106	5.2
220.10638	2.0
221.11652	4.7
231.13753	1.9
233.11613	1.7
257.15295	1.6
263.27444	1.8
275.23663	3.0
291.19681	1.8
333.24008	1.5
347.25876	2.7
401.33548	1.7
411.32498	5.1
419.22525	2.7
429.33524	20.3
429.37714	1.9
447.21732	10.4
447.34665	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	447.346
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
55.01842	0.2
55.05483	0.7
56.89001	0.2
57.07068	6.5
65.03960	0.3
67.05477	0.6
69.03407	0.4
69.07041	1.0
71.08619	4.2
79.05466	0.8
81.07036	0.8
83.01339	0.5
83.04951	0.3
83.08596	0.3
85.10186	1.8
91.05479	0.6
93.07037	0.6
95.01327	1.5
95.04935	0.3
95.08569	0.8
99.00800	7.0
99.04433	1.4
102.66566	0.2
105.07017	0.5
107.04900	0.5
107.08592	0.7
109.02871	0.6
109.06454	0.3
109.10101	0.6
111.11707	0.3
113.02354	1.7
115.05473	0.2
117.01826	1.6
119.08620	0.3
121.06488	0.5
123.04398	0.3
123.08028	0.3
125.05961	1.1
127.00281	0.3
127.03894	0.3
131.08501	0.2
135.04402	0.7
135.08003	1.0
137.05956	0.5
141.05486	0.3
149.02322	0.2
149.05942	0.8
149.09587	0.7
149.64374	0.2
151.07550	0.5
151.11206	0.2
153.05443	2.9
155.07051	0.4
163.07550	2.0
163.11191	0.3
177.09026	1.1
181.04927	12.2
183.06485	0.9
189.09195	0.3
191.07085	1.6
191.08604	0.2
191.10641	1.0
193.08702	0.2
195.06494	29.0
196.06786	0.4
199.05989	0.8
205.08606	1.3
205.12234	0.4
209.08047	18.0
219.10072	0.6
222.07597	0.5
223.09612	15.1
233.15381	0.2
237.11171	12.8
251.12738	9.4
252.13191	0.3
265.14316	5.1
279.15906	2.4
293.17352	1.8
307.18933	1.4
321.20511	1.5
335.22055	0.9
349.23593	0.6
363.25287	0.6
377.26813	0.7
391.28345	0.9
405.29953	0.3
429.33817	0.5
442.78183	0.2
447.34616	100.0
448.35004	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	447.2734
Annotation	CJ 13103
Peak:m/z	Relative Intensity
53.03923	4.1
55.01852	3.5
55.05262	1.6
55.05501	18.4
57.03424	6.4
65.03930	2.4
67.05492	35.5
69.03407	3.0
69.07056	9.8
70.06581	1.1
70.76585	3.0
70.76931	1.2
71.01348	1.9
71.04967	3.7
77.34309	1.0
79.05479	33.9
81.03403	47.7
81.07040	20.2
83.04971	7.7
83.08609	12.3
85.06522	3.1
91.05463	25.8
93.07025	31.2
93.07510	0.6
93.07635	1.1
95.04949	22.1
95.08578	8.7
97.02895	1.9
97.06507	8.0
97.10141	10.7
105.03375	2.2
105.07001	17.7
107.04940	8.0
107.08569	17.0
109.06511	3.0
109.10136	4.2
111.04414	1.6
111.08046	6.2
115.05447	2.5
117.06995	7.2
119.04916	1.5
119.08559	14.9
121.02829	3.0
121.06494	8.2
121.10132	6.6
123.08042	2.4
125.09603	4.9
129.06995	9.7
130.07759	1.1
131.04936	1.9
131.08551	10.0
133.06454	4.9
133.10103	6.9
135.08046	2.6
135.11664	23.2
137.09630	2.1
141.06923	2.6
142.07693	2.3
143.08513	5.0
145.06465	6.3
145.10089	7.7
147.08052	3.1
147.11641	5.3
149.02296	1.8
149.09613	4.9
155.08528	2.0
157.10080	8.3
159.08006	3.1
159.11719	2.4
161.09589	1.7
162.11375	1.0
163.11127	8.2
165.12813	1.1
167.08507	1.7
169.10156	2.2
171.08029	1.3
171.11667	1.8
173.09607	1.5
173.13225	1.5
175.11165	6.2
175.14708	1.2
181.12206	3.2
183.11667	2.7
183.42101	1.0
185.09541	1.5
185.13158	5.0
187.11110	1.6
189.09386	1.0
189.11189	4.1
193.12215	19.7
197.09541	1.4
197.13264	1.6
201.12790	1.5
203.10435	1.4
203.14285	4.1
205.12239	1.2
225.12682	1.6
227.12712	2.1
231.13927	1.3
243.13809	1.1
249.14874	2.9
257.15234	1.0
289.17639	1.2
309.22281	1.1
327.22952	1.9
329.21054	4.2
337.21686	5.8
347.22171	2.4
355.22540	12.4
373.23761	6.4
391.24850	1.3
403.24890	7.1
406.05768	1.0
411.25104	1.3
429.26358	11.2
447.27322	100.0
448.27557	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01857	3.4
55.05506	16.8
57.03429	5.7
57.07066	1.2
65.03920	2.2
67.05493	34.5
69.03420	2.2
69.07059	9.4
71.01333	2.2
71.04971	3.5
79.05480	32.6
81.03402	47.3
81.06586	1.8
81.07043	22.9
81.07526	1.2
83.04963	7.2
83.08601	11.7
85.02913	1.5
91.05462	24.8
93.07030	29.6
95.04945	26.2
95.08592	10.7
95.11319	0.8
97.02898	1.3
97.06525	5.7
97.10153	7.6
98.20645	2.1
99.08112	1.1
103.05467	1.1
105.03377	2.5
105.07010	13.8
107.04936	9.0
107.08578	18.6
109.06506	3.4
109.10126	5.4
111.04473	0.9
111.08025	6.1
114.77850	0.9
115.05448	1.7
117.06999	7.0
118.54018	1.0
119.04899	1.7
119.08546	12.3
121.02840	1.6
121.06472	7.2
121.10120	7.7
123.08037	3.8
123.11663	1.3
125.09618	6.5
128.06212	1.3
129.06985	9.1
131.04863	1.5
131.08539	10.4
133.06482	4.2
133.10095	4.6
135.08028	2.1
135.11661	21.1
137.05875	1.2
137.09599	1.9
141.06963	2.7
142.07793	1.8
143.08511	4.3
145.06427	4.6
145.10095	8.2
147.08044	4.8
147.11676	4.5
149.02332	1.9
149.09610	3.4
153.12761	1.1
155.08452	1.9
157.10072	5.7
159.08017	2.3
159.11699	2.4
161.06061	1.0
161.09613	2.8
163.11145	6.0
167.08557	1.2
169.10097	2.4
171.08093	1.2
171.11676	1.3
173.09589	0.9
175.11168	6.6
177.12703	1.3
181.10112	1.2
181.12248	3.4
183.11656	2.0
185.09680	1.2
185.13277	4.1
187.11186	2.6
189.11220	3.4
193.12196	20.8
195.11670	1.8
197.09554	1.3
201.12704	1.3
203.10550	1.4
203.14310	4.4
205.10081	1.2
205.12105	1.7
213.12907	1.0
215.14252	1.2
225.12691	1.9
227.12823	1.2
229.42455	0.9
231.13728	1.2
237.10350	0.9
237.12746	1.1
249.14818	3.1
309.22299	0.9
311.19614	1.0
327.23248	1.8
329.21030	7.3
337.21472	3.2
347.22101	2.6
355.22687	9.1
373.23743	3.9
403.24713	8.5
411.25464	1.9
429.26401	10.2
447.27356	100.0
448.27750	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93310	0.2
65.03925	0.3
68.99751	0.4
69.47288	0.2
69.86152	0.3
69.86561	1.1
73.02905	13.6
85.02890	0.3
87.04453	1.3
90.09250	0.2
93.03392	0.3
95.04939	0.3
97.55700	0.2
99.04462	0.2
107.04932	0.2
109.02826	0.5
111.00785	0.8
113.36304	0.2
121.02844	1.0
123.87708	0.2
137.02325	3.4
149.02330	0.5
152.09131	0.2
153.01802	4.0
155.04857	0.3
161.05965	0.3
163.03862	0.6
165.01794	2.3
166.02538	0.3
173.05928	0.4
182.22563	0.2
183.02853	1.0
183.04332	0.3
187.03908	0.3
201.05438	1.9
229.04906	4.7
247.06020	0.7
257.04425	2.7
274.04675	0.7
285.03870	1.3
302.04172	0.6
303.04944	100.0
304.05264	4.7
411.06845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0918
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
55.05455	0.7
59.04962	0.5
61.02865	2.0
66.40749	0.4
67.09219	0.4
68.02650	0.4
68.99731	1.5
69.03373	0.5
69.37425	0.4
70.55817	0.7
70.56210	0.8
71.04928	0.5
75.51296	0.3
81.03327	0.4
87.04449	0.4
109.02792	0.6
111.00743	1.3
121.02892	0.4
131.04858	0.5
135.04366	0.5
137.02228	0.6
143.20340	0.4
147.04308	1.2
149.05849	0.6
153.00635	0.6
153.01805	11.5
155.00153	0.4
155.04813	0.8
157.06468	1.0
159.04427	0.4
161.02275	0.9
163.03816	1.2
165.01910	0.5
171.04376	0.7
173.05930	0.5
175.03882	2.3
183.04350	0.6
185.05913	1.3
187.03819	1.6
189.01735	1.7
189.05405	0.6
196.67719	0.4
197.06007	0.5
199.03848	0.8
201.05348	1.4
203.03375	4.6
205.01236	0.4
207.02850	0.7
211.03850	1.1
213.05374	2.3
215.03340	0.9
217.04851	0.4
227.03362	1.2
229.04935	2.2
231.02849	0.8
231.06551	0.8
237.05273	0.5
238.05684	0.4
239.03358	1.1
239.07040	0.6
240.04182	0.4
241.04897	2.2
243.02875	3.1
243.06549	0.5
245.04472	0.4
253.04927	1.8
255.02917	3.3
257.04346	1.8
258.05237	1.4
259.05884	1.4
266.05685	0.8
267.06482	1.6
268.03647	1.2
269.01654	0.5
269.04388	4.2
270.05103	0.5
271.05722	0.4
273.03891	3.1
277.04794	0.6
281.04416	1.4
283.02365	2.0
284.03101	0.6
285.03937	3.8
286.04630	5.2
287.05408	1.0
291.06473	0.6
293.04361	0.7
294.05219	0.6
295.05972	3.6
296.03143	4.2
297.03857	14.9
298.04370	1.2
301.03461	4.6
303.04895	2.6
305.04401	1.1
306.05023	0.4
309.04019	0.7
311.01907	0.7
311.05325	1.0
313.03375	24.6
314.04111	7.8
315.04883	2.7
319.05948	0.7
321.03809	0.5
322.04962	0.6
323.05453	3.3
325.03448	2.5
326.04224	0.6
327.04871	1.3
328.01920	0.6
329.02847	10.9
330.03372	0.4
333.04153	0.8
337.07156	0.6
339.04886	1.1
341.02820	1.1
341.06485	7.8
343.04431	100.0
344.04761	3.5
347.05481	4.0
350.04047	0.8
351.04993	4.6
353.02875	3.3
365.06491	1.6
367.04544	1.1
369.06024	8.1
375.04846	1.0
385.05624	3.5
393.06003	38.2
394.06363	1.7
411.07062	19.9
412.07358	0.7
429.08234	2.3
447.09183	31.8
448.09518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92269	0.2
52.87797	0.2
55.05506	0.9
57.07069	1.6
63.11074	0.2
67.05485	0.6
68.46076	0.2
69.03424	0.4
69.07061	1.4
70.39334	0.2
71.08622	1.0
79.05473	0.3
81.07027	0.5
84.04472	0.2
85.10172	0.2
87.04450	23.9
91.05450	0.4
93.05776	1.0
93.07001	0.3
94.06577	0.5
98.21538	0.3
105.06985	0.3
106.06535	2.4
107.07318	1.6
108.04440	0.3
109.05289	0.2
118.06536	0.9
119.07272	0.2
120.04414	0.2
120.08086	2.1
121.08865	0.3
122.06002	4.9
125.04712	0.2
131.07292	0.4
132.08110	0.3
134.05951	0.2
134.09653	0.7
135.06763	2.9
136.07541	0.5
148.07559	1.7
148.11163	0.3
149.08360	0.4
150.09074	0.3
160.42218	0.2
162.09091	0.5
162.12749	0.2
164.10728	0.2
191.07460	0.2
206.18983	1.9
216.17387	0.2
218.19002	4.6
218.21022	0.3
219.19629	0.2
220.20546	1.5
224.07024	0.5
232.16980	0.5
232.20592	2.6
233.21091	0.2
234.18488	4.7
235.18797	0.2
244.20569	2.5
246.22127	0.4
248.20062	11.7
249.20372	0.5
258.22098	0.4
260.20074	1.9
260.23706	0.3
262.21579	0.6
272.23550	0.3
274.21777	0.2
276.23175	0.6
290.24789	0.2
342.31537	3.9
343.31967	0.3
360.32532	56.8
361.32867	3.8
446.36197	100.0
447.36548	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	446.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01855	1.4
55.67410	0.6
57.03411	1.3
60.73055	0.6
61.02902	2.2
69.03410	7.9
70.39511	3.1
71.04967	2.3
71.12875	0.6
73.02905	15.4
81.03403	9.0
81.82391	0.6
85.02888	49.2
86.09653	0.7
87.04435	1.6
97.02876	18.4
99.03770	0.8
99.04439	29.5
103.03924	67.1
105.07035	3.4
109.02859	12.4
111.00766	1.0
115.03862	0.9
115.63911	0.6
121.02821	1.6
122.42181	0.6
127.03893	72.4
137.02330	3.0
145.04938	46.7
153.01785	4.6
160.33337	0.5
163.05995	48.5
165.01805	1.9
169.04958	1.0
187.06003	4.0
201.05402	1.8
205.07030	2.7
228.04001	0.6
229.04941	4.5
247.05951	1.0
253.07076	1.6
257.04346	2.1
271.08084	6.4
273.03894	0.6
274.04608	0.9
285.03931	1.5
289.09125	5.9
302.04449	0.6
303.04947	100.0
307.10193	10.9
411.16287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	0.4
55.05463	1.3
57.07067	9.6
58.07351	0.4
64.82346	0.3
67.05491	4.9
69.07056	2.2
70.44421	0.3
71.04704	0.8
71.08616	12.1
72.08915	0.4
79.05448	0.9
81.07037	9.3
83.08588	0.4
83.86756	0.3
85.10162	6.0
90.06663	0.3
93.07046	0.4
95.08591	9.7
96.08900	0.3
104.58100	0.4
114.55060	0.3
123.19901	0.3
155.14307	0.8
193.08842	1.2
204.08093	0.4
220.07416	0.4
221.08351	3.1
232.07448	0.4
248.06970	0.6
249.07802	25.3
250.08380	1.5
264.10031	0.7
275.35391	0.4
276.06290	0.9
277.07291	90.2
278.07678	5.4
286.08652	3.2
287.09027	0.4
288.06534	0.5
291.09122	0.4
292.09616	98.5
293.09955	3.8
301.07248	0.5
304.09665	0.4
314.08057	8.6
315.08548	0.8
328.09601	0.4
367.99869	0.4
428.22025	1.4
432.21353	0.5
442.71860	0.3
446.23199	100.0
447.23569	7.1
447.29315	0.7
453.43695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01803	0.2
69.07058	0.5
70.06574	0.8
71.78753	0.6
72.08139	0.6
73.04749	0.8
79.05491	0.6
83.04980	0.4
84.04483	0.3
84.08132	0.9
85.02888	0.6
85.06494	0.3
86.09674	0.5
87.08078	0.3
89.06004	0.6
91.05827	3.8
92.05682	0.3
93.07044	1.5
95.04967	0.6
103.04744	0.3
103.05442	6.5
107.04934	1.9
120.08086	100.0
121.02946	0.3
121.06489	1.8
121.08417	1.9
122.06038	0.3
128.41100	0.3
131.04900	2.6
135.04398	0.5
137.05943	0.2
138.05518	0.3
138.09116	1.1
139.57726	0.3
140.07021	0.4
145.04958	0.4
149.05946	2.1
163.03909	2.4
166.08615	55.2
167.05515	1.4
167.08949	1.1
168.05708	0.5
171.11459	0.3
225.04199	0.3
226.04318	0.4
284.08920	0.4
284.12643	0.4
359.02890	0.7
360.02777	2.0
361.02597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	2.5
69.03409	0.4
69.62059	1.7
69.62494	0.8
70.06581	0.7
74.32242	0.2
81.03406	0.3
81.17242	0.2
85.02886	0.9
86.06045	0.9
86.09694	0.7
94.06560	3.1
95.04951	0.6
97.02876	0.6
98.21388	0.6
103.03890	0.5
105.03362	0.5
109.02850	0.4
110.09066	0.3
118.12881	0.3
120.66196	0.3
121.02832	0.8
121.70485	0.2
122.06006	14.8
127.03891	0.9
140.06999	0.7
145.04942	0.3
147.04369	0.8
148.04774	0.4
156.06534	0.3
161.08353	0.4
163.05963	0.7
174.07689	0.3
178.07782	0.5
179.08514	0.5
189.06958	57.1
190.07301	1.6
206.07370	0.3
206.09624	0.6
207.07967	0.4
217.06447	100.0
218.06818	4.1
223.39340	0.3
234.06754	1.4
234.08836	0.3
249.09068	33.9
250.09395	1.1
264.07764	0.3
266.11716	42.9
267.12045	1.9
281.07764	0.3
294.05005	0.4
295.05521	1.0
296.06683	0.3
307.05835	0.4
308.06433	1.2
309.07278	0.6
310.14194	0.7
326.07425	0.6
337.06964	0.4
338.07349	2.0
356.08347	0.4
380.08487	0.4
392.08395	0.9
409.49255	0.3
410.09424	1.3
414.19003	1.8
428.10739	2.0
446.09760	0.4
446.18250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	0.4
60.85329	0.2
63.19704	0.2
67.05492	0.5
69.07062	0.5
69.97356	0.2
70.05531	1.2
71.08608	0.3
73.41892	0.2
75.20158	0.2
79.05488	0.3
80.71451	0.2
81.07035	0.4
86.06055	100.0
87.06370	0.7
93.07027	0.4
95.08622	0.6
96.08123	0.5
102.18880	0.2
105.07012	0.5
106.06522	0.3
107.08594	0.2
109.10078	0.2
119.08601	0.3
121.10138	0.3
131.08534	0.3
133.10153	0.2
135.06792	0.5
145.10063	0.2
148.07578	0.4
163.64355	0.2
165.05405	0.3
177.09079	0.2
206.18999	0.3
237.11218	0.3
248.20082	2.9
252.22284	0.2
260.20050	0.6
283.05334	0.2
287.16467	0.3
292.09662	0.5
359.22180	0.4
360.32556	32.6
361.32819	1.3
377.19022	0.2
427.24390	0.3
430.05637	0.2
445.37836	28.4
446.29279	0.4
446.38086	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.8
55.05263	1.0
55.05503	12.3
55.92780	0.7
57.03432	0.9
57.07064	7.3
60.67398	0.7
67.05494	4.2
68.28821	0.8
69.06684	1.0
69.07059	17.8
71.04980	0.7
71.08627	4.2
71.55639	2.0
78.73882	0.9
79.05489	1.6
80.86694	0.8
81.07043	8.9
83.08604	11.2
85.10177	1.9
91.05810	2.3
93.07037	4.4
95.08600	5.8
97.10155	7.1
102.30699	0.8
105.07018	2.8
107.08569	4.4
109.10134	6.2
111.11686	2.7
119.08553	3.6
121.06477	1.0
121.10120	2.6
122.07243	0.9
123.08078	1.0
123.11706	3.1
131.08507	1.4
133.10101	1.4
135.08041	2.2
135.11673	2.5
137.09590	8.8
137.13268	0.8
139.07530	1.5
145.10143	1.5
147.11639	1.0
149.09584	8.8
149.13211	1.4
157.10149	1.4
158.05713	0.9
159.11697	1.2
162.06743	1.0
163.11162	4.0
164.65424	0.9
165.09094	100.0
166.09428	3.1
167.05501	0.9
171.57922	0.7
173.09596	1.5
174.10323	1.0
175.11124	2.7
176.08180	1.1
177.09137	5.2
177.12691	1.1
179.10634	1.7
183.14842	0.9
187.11232	1.2
187.14447	0.8
189.09117	3.1
189.12674	1.6
190.09737	1.1
191.10648	5.5
201.12730	1.7
203.10660	4.5
203.14310	3.1
205.12225	9.0
216.11438	0.9
219.10162	1.8
219.13791	2.2
226.62599	0.9
231.13728	3.2
237.11098	1.8
245.15363	1.1
287.16412	1.2
345.27856	2.8
359.02792	2.3
409.34338	1.0
427.35641	9.6
445.20032	4.9
445.36713	1.5
446.20523	1.8
446.50391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.7
57.07072	9.7
65.79559	1.6
66.51859	1.4
67.05478	7.3
69.07054	43.0
70.99190	1.4
71.08618	3.9
71.79919	2.7
81.07036	14.7
83.08595	24.4
85.10179	2.5
91.05478	1.5
93.07037	6.6
95.08076	1.6
95.08579	8.9
97.10154	11.9
105.06998	3.0
107.08595	6.5
109.10119	8.9
111.11720	6.6
119.08574	3.3
121.06492	1.9
121.10126	4.2
123.11711	4.4
125.13247	2.6
133.10107	2.7
135.08064	4.1
135.11681	3.4
137.09602	7.7
137.13287	1.6
139.07564	3.1
145.10146	2.9
148.97630	1.6
149.09604	12.5
151.07581	2.8
153.09103	2.6
159.81879	1.5
161.09680	2.4
163.07570	1.7
163.11226	6.4
163.14879	1.6
165.05516	4.2
165.09090	100.0
166.09424	3.9
173.09671	3.4
175.07574	1.9
175.11208	2.9
177.09120	8.9
179.10741	2.6
181.08563	3.6
186.10396	1.6
189.09122	4.2
189.12767	2.3
191.10585	7.2
201.12746	1.5
203.10640	7.8
203.14432	1.7
205.12234	13.4
219.10283	2.5
219.13753	4.7
220.49734	1.6
231.13878	4.3
237.11266	3.9
244.41228	1.6
287.16556	5.2
345.27905	2.7
359.22159	3.0
371.29269	2.3
373.14435	2.7
387.16278	3.7
388.16931	4.3
389.17838	2.6
399.32373	1.9
401.18008	3.4
402.18448	2.9
403.19089	4.0
409.23679	1.6
415.15424	4.1
416.15845	2.7
417.16281	2.2
417.20911	5.8
418.21136	2.0
427.35629	25.2
428.35892	3.8
429.17236	5.2
430.17657	8.2
431.18716	4.6
445.20331	69.7
445.37137	8.5
446.20743	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1752
Annotation	Petromurin C
Peak:m/z	Relative Intensity
53.03928	2.4
55.01858	0.9
55.05494	1.8
64.56689	0.9
67.05476	2.6
69.03409	2.2
69.07040	3.3
70.06609	1.1
71.79015	1.4
79.05487	1.4
81.03386	1.8
81.07016	3.4
85.02908	1.9
87.02290	0.8
90.67262	0.9
91.05773	3.9
93.07017	2.9
95.04950	3.8
95.08595	3.0
97.02867	1.8
104.55410	0.8
105.03379	26.9
105.07009	1.9
107.08534	1.4
109.10131	2.5
111.04424	1.2
119.08567	1.3
121.02847	3.1
121.10129	2.3
123.08017	1.5
127.03886	1.6
147.11745	1.0
149.07077	3.3
151.07521	6.6
153.06975	1.3
155.64626	0.9
163.03842	1.6
163.07593	1.5
165.05524	1.8
165.06973	3.3
166.07729	4.8
167.05508	2.9
167.08505	1.3
177.06963	2.8
177.09071	1.5
178.07794	2.2
179.08522	6.4
181.06476	2.4
181.10149	3.9
189.06973	3.8
190.07730	5.2
191.08546	25.9
191.10461	2.3
192.09015	0.9
193.06345	2.5
194.07260	10.8
195.08012	3.8
205.06471	11.0
206.07256	1.5
206.99567	0.9
207.08002	16.3
208.08723	5.1
209.09586	12.2
211.07622	1.0
217.06496	1.8
218.07228	4.1
219.08038	18.1
219.10014	1.3
220.08775	1.4
221.05962	5.7
222.04570	1.8
222.06728	30.6
223.07550	4.3
224.08284	1.0
233.05931	8.4
234.06705	1.7
235.07530	4.4
236.08299	5.9
236.55042	1.1
237.09055	29.1
238.09583	1.4
239.06953	4.7
247.07520	5.7
248.08258	1.6
249.05605	1.5
250.06189	6.6
251.07062	3.2
255.02824	1.2
255.10117	3.8
263.06967	2.9
264.07800	2.5
265.08560	85.4
266.09119	5.8
267.03836	1.4
267.06473	8.5
267.09473	1.4
269.11829	0.9
273.03696	1.1
274.04761	1.0
279.10114	3.2
282.08810	34.6
283.09378	1.7
283.62286	0.9
287.16458	1.0
297.11163	89.4
298.11435	3.4
301.03452	1.5
307.15344	1.2
310.94830	0.8
317.06461	2.1
329.03040	1.6
333.07382	1.0
359.02917	3.9
359.22101	1.2
361.06961	1.6
377.19601	1.1
384.12122	1.0
389.06219	2.1
396.12277	1.5
417.06146	2.7
427.24625	1.3
428.14871	31.9
429.15140	2.6
445.05481	48.1
445.17517	100.0
446.05966	6.5
446.11563	1.3
446.18063	6.5
448.30954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.05489	9.1
57.07058	4.5
59.04980	3.5
65.03924	2.4
67.05491	12.5
69.07047	8.4
70.17218	10.4
71.04991	2.9
71.08604	3.8
72.30068	1.9
73.97250	2.1
74.09708	13.1
77.00569	2.2
79.05482	14.2
80.06278	2.3
81.03391	7.3
81.07040	16.7
81.72009	2.0
91.05450	30.5
92.56720	1.8
93.07027	100.0
95.04964	12.0
95.08596	36.2
97.06515	2.9
101.13492	1.8
103.05391	1.8
105.06987	10.9
107.08575	58.9
109.06502	8.1
109.10144	10.6
117.07010	2.6
119.08525	11.3
123.11703	4.4
133.10100	7.7
135.11673	95.5
137.09615	7.1
151.11172	5.6
165.05479	6.3
219.10092	6.3
237.11156	9.8
260.70782	1.9
281.01981	2.0
282.60660	1.9
287.16364	5.6
288.30923	1.8
300.21909	2.2
350.97192	2.1
358.20901	3.1
359.22092	2.6
444.34213	10.4
454.52316	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01860	2.2
55.05503	7.3
56.05009	1.1
56.60939	0.8
57.07067	21.1
67.05490	11.2
69.07052	5.4
70.06573	1.2
71.08614	10.5
71.79080	1.6
72.04507	12.0
74.06045	1.7
79.05464	4.2
80.04987	4.5
81.03372	1.2
81.07046	7.9
82.06548	3.4
83.08595	6.3
85.10171	5.9
91.05435	3.2
93.07014	3.2
94.06542	1.7
95.04969	1.8
95.08581	14.0
97.02925	0.9
97.10140	3.3
98.06068	0.9
105.06994	2.0
107.08597	2.2
108.04480	12.9
108.08088	3.6
109.10133	4.3
110.06035	6.0
114.05546	1.1
119.08580	1.7
121.10085	1.7
122.02386	2.8
122.06009	1.5
123.11695	1.6
124.03898	1.1
126.05471	2.7
126.09092	1.8
128.07057	6.9
133.10110	1.0
136.03893	9.1
136.07571	7.4
138.05457	3.1
140.07047	3.8
144.06557	1.1
149.22562	1.1
150.05490	3.2
150.36647	0.9
152.07047	1.9
154.04964	12.7
154.08606	9.2
156.06531	3.8
160.03955	2.5
163.06252	1.7
164.03407	14.9
164.07047	9.2
166.04953	3.1
166.08615	1.2
168.06557	2.3
170.04446	1.9
170.08118	1.8
171.72256	0.9
178.04915	1.9
178.08607	1.1
180.06479	1.3
181.15894	1.0
182.04526	9.9
182.08101	35.0
183.17506	1.3
192.06516	3.4
194.08116	2.1
198.04092	1.1
200.09164	3.9
210.07578	2.2
219.10033	1.2
244.08067	2.4
246.09737	2.6
272.07593	1.2
278.20978	1.0
290.21198	1.5
300.19534	1.3
308.22134	2.4
308.25629	1.0
310.23743	1.4
318.20654	15.4
318.24332	1.9
322.23514	1.6
326.23190	4.0
334.23694	1.2
336.21634	100.0
336.24829	3.8
337.21887	4.8
339.19223	1.1
346.23798	3.6
352.20981	1.4
352.24847	1.3
358.21027	2.7
359.02600	1.1
364.24750	31.6
365.24872	1.3
382.25800	11.1
398.25378	2.6
408.23798	1.8
426.24741	17.1
427.25317	2.0
444.25842	77.2
445.26050	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	444.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14599	1.1
52.78408	1.5
55.01865	7.6
55.05502	6.4
55.12416	1.3
56.05005	2.6
57.07068	20.0
62.55551	1.3
65.03927	1.7
67.05495	13.5
69.03397	1.6
69.07064	13.0
70.06577	1.6
70.76250	2.5
70.76607	3.9
71.08617	22.6
79.05453	4.8
80.05000	6.4
81.07043	21.1
82.06554	4.0
83.08605	6.5
85.02917	1.5
85.10168	13.2
90.05524	1.5
93.03391	1.4
93.05791	1.4
93.07014	5.5
94.06519	3.2
95.04952	2.0
95.08584	17.9
96.04475	3.8
97.06496	2.1
104.55420	1.2
105.06992	2.3
106.06503	1.7
107.04927	1.7
107.08568	3.0
108.04464	14.3
108.08108	3.9
109.06474	1.9
110.02245	1.3
110.06038	9.8
111.08059	1.4
115.03320	1.3
119.08539	1.8
120.08106	1.9
121.02864	1.9
122.02384	4.3
122.05962	2.5
123.04404	3.1
124.03912	2.5
124.07623	1.9
126.05464	3.1
131.08525	2.3
135.11697	3.0
136.03925	17.8
136.06110	1.3
136.06616	1.5
136.07555	13.1
137.02283	1.3
137.13185	2.4
138.05470	5.2
142.04951	3.6
146.06007	3.0
148.03946	1.4
148.07611	2.6
150.05476	4.0
150.09097	1.7
152.03409	1.4
152.07060	3.7
153.12704	8.7
154.01358	1.4
154.04956	2.6
155.14240	3.8
156.06573	7.1
160.08760	1.2
162.01770	2.1
162.05490	2.3
163.06259	2.6
164.03381	8.3
164.07036	32.3
166.05016	4.3
168.06552	1.7
170.04440	1.4
176.07082	1.6
178.05005	2.2
179.01918	1.3
180.02850	2.4
180.06522	6.0
182.04431	6.5
182.08102	5.8
190.04997	1.7
190.08504	1.3
192.06517	13.9
201.13138	1.8
206.04478	3.0
206.08109	3.5
208.06056	4.6
209.15294	2.1
210.07610	24.7
212.14285	1.6
216.17471	2.4
219.74449	1.3
220.06017	2.8
226.03398	5.1
226.07117	6.0
228.08635	14.9
234.18475	5.9
236.05479	2.9
238.07053	3.9
244.08191	2.0
248.16449	10.6
252.19508	2.8
254.06448	1.4
262.18112	3.6
274.09189	14.1
280.19070	3.6
282.06131	4.9
290.17447	64.5
291.17831	3.9
292.18924	2.2
300.07129	8.5
306.16977	2.7
308.18515	17.1
310.20139	1.8
318.17072	1.7
318.20599	1.6
322.19824	2.0
326.19421	7.0
334.16342	2.0
334.19949	1.7
336.17981	58.8
336.21118	2.3
337.18503	1.6
338.19336	3.3
346.20242	6.4
352.17532	5.6
362.19351	1.7
364.21130	41.4
366.19241	1.6
380.20663	7.4
382.22202	9.7
390.18997	8.3
398.21735	11.6
408.20230	11.9
426.21152	65.3
427.21387	1.9
444.22220	100.0
445.22665	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	444.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.1
55.05477	0.2
58.20834	0.2
61.94437	0.2
63.92706	0.2
67.05469	0.3
69.03386	0.7
70.06548	0.2
71.79537	0.2
71.79922	0.2
73.02882	0.2
79.05444	0.3
81.03380	0.4
81.07017	0.5
83.08587	0.3
84.79133	0.2
85.02908	1.4
87.04430	0.2
91.05391	0.3
93.06991	0.6
95.08564	0.5
97.02843	0.6
105.03363	0.2
105.06984	0.6
107.08557	0.3
108.51604	0.2
109.02831	0.3
111.08040	0.3
119.08558	0.2
121.02793	0.3
121.10104	0.2
122.09648	0.2
123.08005	0.4
127.03906	0.4
128.10622	0.2
133.10062	0.4
140.10664	0.8
142.12213	0.2
145.04927	0.2
145.09972	0.2
147.50407	0.2
163.03841	0.4
168.10808	0.2
179.08524	0.2
183.06744	0.5
194.05945	0.2
198.05460	0.2
204.08018	0.6
205.06416	0.5
210.05322	0.2
211.06224	2.7
212.04718	1.2
217.06374	0.2
218.09669	0.3
219.10194	0.2
219.14923	0.1
222.05344	0.5
232.07596	0.2
233.05989	0.4
235.07567	0.2
237.09004	0.6
238.05084	0.2
239.05711	1.5
246.09001	0.3
249.08829	0.2
250.04950	0.4
254.08148	0.4
255.06554	0.2
265.14349	0.5
267.05209	33.4
268.05533	1.2
282.07550	100.0
283.07913	3.9
291.10226	0.2
324.12433	0.3
327.13306	0.2
351.12158	0.3
359.02737	0.3
408.30927	0.5
426.32022	0.7
444.12738	2.4
444.18573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14144	1.0
53.03944	1.2
54.01368	0.9
55.05497	1.6
56.96554	1.4
57.07066	0.9
59.04977	1.2
60.13222	0.9
60.21680	0.9
61.02931	1.5
67.05473	1.5
67.54323	0.9
69.03427	4.7
69.07032	1.0
70.06580	1.4
71.79891	2.3
71.80549	1.0
72.08146	1.4
73.02872	1.5
73.04732	1.0
81.03404	1.6
81.07054	1.5
83.04966	5.8
83.08719	0.8
85.02888	4.8
91.05411	9.6
92.05814	1.3
93.07032	3.8
95.04948	1.6
97.02867	4.3
98.97608	1.1
99.04443	1.3
105.07025	2.3
107.04933	1.4
107.08574	3.6
109.02890	5.3
109.06496	2.8
116.98652	1.3
117.07024	1.4
119.08540	3.8
121.02839	2.3
121.06479	6.7
123.08050	1.3
127.03870	2.1
131.08527	2.7
133.10072	1.9
134.99718	1.4
135.08047	8.5
137.02354	1.0
137.05922	1.7
143.08482	1.4
145.06448	1.8
145.10120	1.7
147.04398	1.4
147.08104	1.0
147.11559	1.0
149.09610	4.4
153.08975	1.0
155.08569	1.0
157.10085	1.1
158.10899	1.8
159.08057	1.8
159.11679	4.2
161.09578	1.2
163.06392	1.1
163.07487	6.0
167.05560	1.2
170.10954	1.0
172.08865	1.5
173.09639	4.9
173.13205	10.2
183.11700	1.3
186.10390	1.4
187.11159	15.7
191.06987	3.4
201.12703	16.2
202.11494	1.0
203.14420	1.4
205.12239	5.0
211.06329	2.6
211.11137	1.2
219.13805	3.4
229.12199	16.5
237.02786	1.6
239.05765	1.9
247.13272	64.1
248.13554	2.5
265.14297	7.7
267.02884	0.7
267.05243	45.4
268.05533	3.7
282.07571	100.0
283.08005	8.0
285.08472	1.3
303.04962	17.6
304.05380	2.7
309.06607	1.4
327.07544	4.9
351.07407	1.3
358.80856	1.2
359.02966	1.9
369.08771	2.3
444.12854	35.9
445.13116	6.4
445.18698	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.3
55.05490	3.4
57.03409	2.7
57.07042	2.2
61.02921	2.6
64.02345	1.3
69.03143	1.1
69.03420	12.6
69.07040	2.2
70.06570	2.5
71.04977	7.0
71.45626	2.8
73.02898	1.7
76.85488	1.4
81.03403	17.0
83.04975	11.2
83.46780	1.4
85.02890	70.7
94.97006	1.4
95.17127	1.3
97.02880	19.6
99.04443	42.4
101.05994	19.5
103.03925	92.2
105.07032	1.5
107.08589	1.2
109.02858	17.6
119.04872	1.3
122.07114	3.8
123.07898	3.7
127.03893	100.0
129.05392	1.6
143.07063	1.3
145.04935	51.9
147.11702	1.3
163.06003	43.1
185.29584	1.4
187.05981	5.7
205.07056	2.2
219.10085	3.0
230.09109	1.4
237.11205	2.7
270.31000	1.3
271.08072	5.7
281.12546	2.3
289.09125	4.0
305.12308	5.8
307.10117	7.1
339.19437	2.7
352.02484	1.5
357.20468	5.3
371.13367	2.5
375.21555	1.9
389.14127	3.4
401.13065	1.4
443.15717	5.2
443.27469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
55.01865	8.2
55.05500	0.9
57.03417	4.1
57.07062	1.2
61.02906	2.9
63.15891	1.0
67.05475	2.3
68.99757	2.4
69.03416	22.2
69.07050	1.8
71.04949	2.9
71.79092	1.6
73.02906	6.9
78.04668	3.1
79.05478	3.5
80.92728	1.1
81.03400	20.3
81.07030	3.2
83.01294	1.1
83.04936	1.5
83.18269	0.9
85.02890	56.5
85.06535	1.1
86.02331	0.8
87.00808	20.0
87.04453	1.5
91.03931	1.8
91.05447	5.8
93.07025	2.3
95.04939	4.3
95.08589	1.2
97.02871	30.1
99.04441	9.0
101.45687	0.9
103.03907	2.7
103.05450	2.9
105.01212	1.2
105.01845	14.5
105.07011	5.0
106.04162	1.6
107.04941	42.9
107.08556	2.0
109.02858	20.6
115.03893	4.3
115.05421	6.1
117.01837	2.0
117.06982	3.2
119.04877	1.0
119.08524	2.1
121.06491	1.7
121.10082	1.4
123.04398	6.2
124.05163	3.3
125.05962	2.0
127.03892	31.3
129.01802	1.9
129.06970	4.9
131.08537	5.2
132.05701	2.0
133.10062	1.5
135.08040	11.9
137.05904	1.7
137.09540	1.2
141.06958	2.3
143.04889	1.3
144.05687	3.4
144.87025	1.0
145.04950	12.0
145.06442	3.1
147.08018	5.3
151.03893	1.2
151.07483	4.4
152.04628	2.2
157.06485	1.8
159.02856	10.8
159.08058	7.8
160.05110	1.4
160.17612	0.8
161.05980	1.3
163.07512	37.1
163.11086	1.1
165.09109	1.5
167.07011	100.0
168.07361	1.6
173.06050	1.0
173.09540	1.5
174.06749	1.0
175.07521	8.8
177.09007	1.9
179.08507	1.9
180.07803	1.8
181.04878	3.3
182.07272	1.3
183.07967	1.4
186.06859	0.9
187.07526	12.5
189.03848	2.8
189.09056	3.2
190.06288	1.8
191.10612	2.0
192.07820	2.5
193.08629	1.4
195.10135	75.4
197.09540	2.5
199.07457	1.4
201.09070	1.8
204.07849	3.0
205.08540	11.1
205.12103	1.2
206.09286	2.9
207.10121	23.1
210.06775	0.9
213.03741	1.3
216.07860	1.2
219.05055	1.1
219.10101	10.0
220.10591	1.1
221.11678	5.5
225.09029	3.7
225.11015	1.1
227.07040	1.0
231.04945	3.6
231.10139	1.7
233.08098	2.0
233.11731	1.4
235.09593	4.1
237.11183	6.6
243.10229	1.2
247.09633	3.1
249.11256	2.2
253.08501	2.7
257.11539	1.5
261.11145	2.3
271.09641	1.3
275.12762	4.0
277.10617	1.6
285.11139	4.1
303.12219	10.1
321.13272	3.6
339.19678	2.2
357.20520	3.5
375.21606	2.0
389.12335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.05496	9.8
57.03425	17.4
57.07060	3.4
59.04984	2.3
60.04522	2.2
61.02899	5.1
67.05490	3.8
67.65974	1.8
69.03413	66.4
69.07050	2.5
70.06586	3.6
71.04949	3.2
71.08605	16.3
71.12862	4.0
71.13203	3.4
71.25774	1.6
73.02899	2.9
75.04474	3.8
76.55016	1.8
81.03391	6.4
81.07030	5.5
82.06562	5.9
83.04957	5.8
83.08614	8.8
84.08128	2.3
85.02888	100.0
85.06532	5.7
87.04449	48.1
88.11248	13.6
91.03933	6.7
91.05482	2.6
93.07001	3.1
95.04932	2.7
95.08575	2.9
97.02872	65.6
99.04424	4.9
100.07575	10.3
100.11235	31.9
105.06998	3.3
107.08544	3.8
109.02852	6.1
109.10193	2.0
110.06042	2.1
111.04405	14.5
115.03093	4.5
115.03906	78.3
118.40833	1.7
119.08569	3.6
127.03896	23.3
128.07056	13.4
129.05472	2.8
133.04939	91.7
135.11725	1.9
140.07053	5.4
145.04930	34.2
147.11714	3.2
150.07602	12.6
152.14326	2.5
159.00189	1.9
163.06020	13.9
163.11092	2.0
165.09137	3.4
169.04971	2.8
170.13969	4.2
170.15376	62.1
182.15372	38.8
198.14851	42.7
209.16495	6.5
210.14832	42.5
217.07066	2.3
223.05811	2.2
227.17345	2.7
228.15889	8.2
237.11182	2.6
241.07082	2.5
245.18591	11.1
248.69357	1.9
259.08334	2.4
271.19336	2.0
277.09262	2.6
280.06064	4.4
280.09854	2.1
293.19458	2.6
295.10394	2.4
297.25323	9.2
299.08917	2.8
336.22940	2.9
337.21188	14.9
355.22107	12.7
364.08063	2.5
365.08890	2.3
411.09955	2.7
424.31631	44.1
442.27023	3.3
442.32678	69.4
443.12158	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	441.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57636	0.9
53.03939	1.1
55.01842	2.6
55.05494	8.3
57.03413	1.0
57.07058	0.9
58.06581	0.8
67.05492	11.1
69.03422	1.0
69.07043	2.9
71.04962	1.4
71.07166	2.2
73.52327	0.8
77.03912	0.9
79.05482	9.1
81.07035	11.0
83.08591	3.0
84.08128	1.4
86.06038	0.7
91.05454	6.0
92.01186	0.8
93.07030	5.8
93.66263	0.7
94.13885	0.8
95.04926	2.4
95.08579	9.4
97.06528	1.1
97.10128	2.6
103.18456	0.9
105.03379	1.2
105.06994	6.9
107.04938	2.4
107.08582	5.5
109.06490	1.1
109.10124	3.8
111.08009	1.5
115.05412	2.4
117.06997	5.1
119.08543	3.3
119.33352	0.9
121.02858	1.4
121.06495	6.6
121.10103	3.0
123.08031	2.5
125.09628	2.2
128.06192	2.6
129.06987	7.4
131.04906	7.2
131.08545	7.0
133.06464	3.7
135.04340	0.8
135.08041	0.9
137.05983	1.0
137.09569	1.6
141.06943	5.0
143.08559	6.9
144.05670	3.0
145.06458	51.8
145.10109	1.8
146.06764	2.3
147.08014	3.9
149.09567	1.1
153.06888	1.1
155.08566	4.6
157.06456	7.1
157.10043	2.3
159.08015	7.0
161.05954	4.5
165.07043	1.3
165.09109	0.9
167.08516	3.8
169.06427	4.9
169.10080	2.4
170.07211	1.6
171.08002	10.7
171.11691	1.3
173.09616	1.7
179.08438	1.2
181.06479	2.0
181.10072	3.1
182.07211	0.9
183.08073	5.6
183.11703	1.4
185.09554	3.6
185.13188	1.5
191.08412	1.0
195.08017	5.6
195.11664	8.3
197.09618	3.9
197.13216	3.7
199.11179	1.5
205.10065	1.0
207.11679	1.1
209.09631	2.2
209.13213	1.8
210.10274	0.8
211.11272	4.4
213.12761	2.4
222.10431	0.8
223.11116	1.9
225.12708	2.6
227.14204	5.0
235.11156	2.5
235.14935	1.0
237.12660	7.4
239.14297	2.7
251.14296	1.1
255.13748	11.8
257.15384	1.8
273.14807	24.4
281.15265	2.5
283.16885	2.6
287.16208	1.6
293.15439	1.0
295.16864	1.6
297.18430	1.1
299.16327	2.4
306.07706	0.9
311.16382	2.7
313.18155	1.3
321.22235	1.2
325.17926	1.5
331.20584	2.4
339.19360	1.6
339.22858	5.0
349.21585	19.1
350.21759	1.5
367.22626	37.8
368.22919	3.2
377.24878	1.7
380.43060	0.9
385.23758	7.8
387.23181	2.8
395.25864	2.0
405.24054	9.2
406.24713	1.4
423.25031	3.8
441.26260	100.0
442.13062	4.3
442.26654	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	440.2762
Annotation	1-Dodecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05491	0.7
56.05017	0.8
57.03434	0.6
57.07062	3.8
58.06598	0.9
60.08152	15.7
66.91968	0.4
67.05486	1.6
69.07056	0.6
70.06567	0.4
70.22279	0.3
70.93863	1.1
71.07355	5.3
71.08620	2.2
81.07028	1.1
83.01892	0.3
83.04949	0.5
83.08623	0.6
85.10156	1.1
85.24990	0.3
86.09687	47.0
87.10016	0.5
89.06024	0.4
91.32110	0.4
95.08566	2.2
96.76154	0.3
98.98463	2.6
104.10719	100.0
105.11037	1.3
109.10135	1.3
111.26492	0.4
111.73292	0.4
124.99974	24.8
163.01547	0.5
173.02525	0.4
184.07304	95.0
185.07619	1.2
257.21127	2.3
258.10980	0.5
264.23953	0.4
268.08170	0.5
286.89816	0.4
363.19186	0.5
396.05383	0.5
422.26566	10.2
423.26889	0.5
440.07462	1.7
440.27649	36.6
441.28030	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	439.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01866	1.9
55.05502	15.2
57.03424	7.1
57.07059	3.1
59.05000	4.6
62.08877	0.7
65.03931	4.1
67.05493	100.0
69.03409	2.7
69.07062	7.1
69.66999	3.3
69.67437	3.0
71.01350	0.7
71.04979	5.3
71.08617	2.0
73.02908	0.9
79.05477	13.7
79.05909	1.1
81.02924	1.6
81.03405	31.2
81.07042	28.6
83.04967	6.7
83.08604	17.5
83.09063	1.3
85.02890	17.8
85.06536	3.1
85.10194	1.0
91.05462	21.2
93.07034	13.0
93.07573	1.3
95.04956	13.3
95.08584	11.4
97.02883	1.8
97.06517	2.6
97.10169	1.8
98.20713	1.3
99.08081	1.2
103.05582	0.8
105.07014	11.9
107.04929	3.9
107.08577	5.4
109.06507	2.4
109.10140	65.6
110.10502	1.2
111.04445	1.8
111.08070	8.4
113.06023	2.2
119.08557	14.8
121.06460	0.9
121.10136	5.1
123.04463	0.8
123.08032	1.6
123.11712	0.8
125.05936	0.8
125.09589	1.7
129.06976	5.5
131.08557	5.8
133.06508	1.4
133.10133	4.5
135.05550	1.7
135.11661	1.0
137.09579	4.4
137.13272	0.9
142.07750	1.3
147.08022	2.2
147.11674	6.1
149.09616	3.2
152.04504	1.1
155.06396	0.8
155.10657	3.3
157.10094	7.9
160.11775	0.8
165.12778	1.5
173.11700	20.1
175.11177	7.6
178.06070	1.1
184.63747	0.6
191.03403	3.2
193.12206	32.2
196.07063	1.1
198.05138	1.4
211.13260	38.6
214.08205	0.8
216.49110	0.7
224.06612	2.0
226.08313	0.7
229.14261	3.5
267.15915	4.0
270.07169	4.3
286.10208	0.9
396.20865	0.7
421.25690	3.4
439.26840	91.3
440.23672	2.9
440.28061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01868	1.6
55.05492	1.7
57.03427	4.1
57.07057	0.6
59.04992	13.0
60.50527	0.7
61.02916	4.0
67.05502	1.1
69.03419	34.1
69.07055	5.5
69.10256	0.6
70.03712	0.7
70.06572	1.3
70.33280	2.9
71.04980	2.3
73.02888	1.4
78.57553	0.7
79.05484	1.2
81.03405	10.6
81.07051	2.0
83.04967	1.7
83.14801	0.6
83.52987	0.5
85.02891	100.0
86.03244	1.0
86.09695	1.1
87.04446	10.4
88.04007	1.1
91.03953	1.8
91.05452	2.5
93.07018	2.0
95.04953	0.7
95.08596	2.1
97.02877	15.9
97.06487	0.7
97.10157	1.7
98.20764	1.0
99.03841	0.9
99.04437	8.0
100.47328	0.7
103.03927	11.7
105.05479	2.9
105.07018	2.7
107.08551	3.2
109.02862	8.5
109.06496	1.2
109.10133	0.6
110.05929	0.6
111.08056	2.0
115.11181	1.2
117.07045	0.7
119.08522	3.2
121.06513	0.7
121.10138	2.0
123.04440	1.4
123.08077	1.1
127.03893	47.8
128.04263	0.8
128.06195	0.7
129.07021	2.0
131.08548	14.2
133.10065	3.3
135.08025	4.1
135.11723	0.6
137.02367	1.0
137.05887	0.9
143.08560	3.5
145.04938	27.4
145.10109	3.5
147.04356	0.8
147.11668	3.0
149.09595	2.0
153.01813	9.1
154.02094	4.2
154.08649	0.6
158.10921	5.2
163.03825	0.9
163.05980	7.3
163.31424	0.6
165.07280	0.8
169.03226	1.4
170.03473	0.9
171.02805	0.7
173.13229	36.1
174.13585	1.2
175.14784	2.0
177.01866	0.6
187.05981	0.7
189.01971	0.7
191.14291	19.2
208.04265	1.3
209.04608	1.3
213.07561	2.0
231.08578	4.2
242.15042	0.7
249.09645	1.9
254.04709	3.6
255.05045	6.3
256.04584	0.9
294.05051	1.2
295.06049	0.7
300.00250	0.9
307.05991	2.5
307.10019	0.7
308.06488	0.8
317.00647	1.3
322.04373	0.9
325.06992	3.8
331.02667	0.7
332.03018	2.5
333.07330	0.7
337.07104	0.9
350.03806	0.8
351.08517	0.9
355.08212	0.6
393.09515	1.4
421.08536	2.7
421.22342	0.8
439.10571	5.6
439.16949	1.4
439.23184	26.7
440.10754	0.6
440.17630	1.0
440.23474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.2
56.05015	0.4
57.07067	6.6
61.40250	0.3
65.76625	0.3
67.05486	1.2
69.07048	0.9
70.06577	2.6
71.08614	3.4
72.04499	1.0
74.06061	0.5
79.05445	0.5
80.04986	0.4
81.07044	1.8
82.06570	0.7
83.08591	0.8
85.10188	1.5
88.07618	4.0
89.06025	4.0
93.07007	0.3
94.06506	0.3
95.08595	1.7
98.06046	0.3
100.07586	1.0
102.09171	0.9
104.25272	0.3
106.00767	0.3
109.10109	0.6
112.86552	0.3
119.48212	0.3
126.09150	0.8
129.31520	0.2
133.08560	3.1
174.13754	0.3
177.11191	0.6
179.18001	0.3
212.23694	0.8
226.21584	0.4
227.20020	2.0
234.22090	0.7
238.25352	0.3
239.14873	4.6
240.23181	3.2
242.21147	0.9
252.23238	0.8
254.24805	1.1
256.26349	3.9
262.09943	0.3
268.26471	0.3
270.24255	4.8
284.29428	0.6
336.16272	0.3
346.13223	0.3
378.40881	0.4
384.57687	0.3
392.95752	0.4
420.41910	0.8
438.42999	100.0
439.43344	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	438.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.9
56.05015	2.4
56.22283	1.0
57.07066	12.0
60.79998	1.1
64.49571	1.0
65.03950	1.1
67.05503	7.6
68.05019	1.6
69.07061	7.1
70.02921	1.5
71.08618	19.9
71.12595	2.7
71.12954	1.7
74.06046	1.3
80.04990	1.6
81.07034	11.7
81.25024	1.1
82.06566	22.0
83.04966	1.8
83.08608	2.2
84.04488	2.7
84.08120	2.1
85.10166	11.8
86.32141	1.1
89.06013	23.1
93.07018	1.9
95.08589	17.0
96.04487	4.8
97.10097	1.7
102.05473	1.4
110.06017	43.4
122.05986	2.0
123.06773	2.0
124.07574	2.8
128.07069	12.2
130.04953	2.5
133.08597	12.0
137.13213	1.5
151.09651	1.3
155.14273	3.1
160.45689	1.0
174.07712	1.1
177.11182	2.4
194.19029	2.5
195.12354	1.4
208.16925	7.0
220.20467	2.1
236.20053	36.5
238.21553	9.9
239.14867	24.4
256.19257	1.3
268.18826	2.6
282.20587	53.1
283.21042	2.2
284.22244	6.3
286.31958	1.1
340.76138	1.1
387.23383	1.2
417.26291	1.2
420.34610	1.9
438.35721	100.0
439.36069	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	438.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.9
67.01840	2.8
68.99764	1.6
69.03418	1.8
69.07020	0.7
69.90053	4.1
70.06573	1.4
71.04980	0.7
72.08131	0.7
74.00654	4.1
79.05452	0.8
80.04990	0.9
81.03401	1.0
81.07047	1.0
83.04948	1.6
84.04472	1.5
85.02887	2.4
85.06513	0.9
86.09682	1.4
88.03980	11.0
88.75829	0.7
90.80293	0.6
91.05467	1.5
95.04920	1.8
95.08595	1.5
97.02878	1.4
98.20777	0.9
99.04441	1.6
100.02190	1.3
103.03918	1.3
109.02841	2.5
109.06451	0.6
113.02334	2.7
113.05969	0.9
118.99852	1.1
120.01138	1.1
120.08097	0.7
121.02792	0.9
123.04410	5.2
125.05960	1.0
127.03907	3.0
130.04961	1.3
134.68678	0.6
137.05974	1.2
137.09619	0.8
139.03900	2.2
139.11176	3.4
145.04947	1.2
148.02089	0.6
149.00529	6.9
149.02284	0.8
153.01799	100.0
154.02151	1.0
154.17905	0.6
162.05489	0.7
162.70255	0.6
164.04463	0.7
165.00040	3.7
167.01628	1.3
167.03314	1.1
169.03168	20.6
171.02882	1.8
176.01598	6.5
176.07053	1.1
177.03299	0.8
179.01534	0.8
180.02348	1.2
181.03192	1.6
181.12238	0.8
193.01833	3.5
193.03400	0.8
194.04414	7.0
195.01234	1.5
195.02916	1.7
195.04640	1.2
197.02766	0.8
203.04791	0.8
203.69489	0.7
206.06651	0.6
207.01170	1.3
208.04253	18.1
213.14864	1.0
220.04477	0.7
222.05838	1.2
223.13499	0.6
233.02623	1.1
239.02533	0.7
240.04942	1.2
241.14333	2.7
243.01044	1.2
247.04152	0.7
254.04781	81.1
255.05122	0.8
259.00644	1.0
259.06238	0.7
260.01324	3.5
268.06393	2.9
269.04767	2.1
271.00540	4.2
275.03705	5.3
286.07385	10.8
287.00159	1.3
288.00775	2.3
291.08334	3.4
293.04819	5.0
299.00015	8.9
300.00708	1.1
301.06979	2.3
316.00299	17.7
321.04236	7.1
325.06934	1.1
329.04703	1.5
331.02673	18.2
333.04202	11.5
337.06540	0.8
349.03717	8.1
356.05759	1.9
357.04242	0.8
420.07245	7.0
421.06006	2.0
438.08340	6.9
438.17572	0.8
439.10245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91717	5.9
55.37667	5.2
57.07062	8.0
58.90243	6.7
67.05480	6.3
71.08620	8.8
71.82298	10.9
71.82670	7.3
81.07050	6.3
83.04948	7.2
83.08603	8.0
89.06017	20.6
95.08582	12.6
105.06946	8.3
109.06503	6.3
118.42516	5.7
119.08577	7.7
121.10146	6.9
130.26448	5.5
133.08620	13.1
141.05438	9.3
145.27528	6.0
153.05411	5.8
173.55649	6.2
177.11238	5.4
238.24216	6.0
239.14809	14.5
245.19386	6.4
265.18039	12.0
391.32272	9.2
419.31287	40.9
437.30151	100.0
437.35764	12.6
438.30930	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92977	1.3
62.76591	1.4
65.03928	1.4
67.01855	2.4
67.05493	1.7
68.99783	4.0
71.14934	3.2
77.03906	1.5
79.05492	2.5
81.03403	2.7
85.02895	1.5
91.05508	1.6
95.04937	7.5
97.02871	1.7
105.03406	2.7
107.04951	4.8
108.97445	3.0
109.02875	3.1
111.00777	5.0
111.02657	2.6
111.04443	3.9
113.60128	1.5
120.08109	4.1
121.02852	6.0
121.08450	1.7
123.02566	1.3
123.04471	2.9
124.03932	1.9
127.03889	4.7
133.02837	27.3
135.02667	1.2
135.04364	2.8
136.05154	1.7
137.00536	1.8
137.02289	6.9
137.05960	10.1
138.02637	2.6
139.02039	2.8
139.03889	3.3
149.00525	2.5
149.02312	31.7
151.02115	6.6
151.03864	17.5
151.05017	1.4
152.04262	1.3
153.01796	90.2
154.02155	1.5
154.97951	22.1
155.01555	1.6
163.02139	1.5
164.04727	1.9
165.00069	5.2
165.05447	15.1
166.06223	46.4
167.01622	29.7
167.03365	7.5
167.06976	1.2
169.03239	3.2
171.02834	6.0
172.99072	1.9
177.01807	3.1
179.01607	3.6
182.97487	7.2
183.01108	5.0
183.98282	2.4
185.05920	1.4
191.01575	2.6
193.03204	9.8
193.04872	2.2
195.01070	4.0
195.02899	10.3
197.02672	5.9
198.03403	4.2
200.98489	13.9
201.03699	1.8
201.05415	3.2
203.01563	1.7
209.02620	2.6
213.05455	3.5
218.00314	2.5
219.01021	5.0
221.02660	3.6
223.04169	1.7
229.03018	2.1
229.04961	10.1
232.01750	1.6
233.02658	14.6
240.11504	1.3
241.05000	3.4
242.05716	2.7
243.01105	2.8
245.02693	3.6
245.77951	1.4
247.00600	9.0
248.01418	3.7
249.01936	1.9
249.20657	1.3
256.09769	1.8
257.04541	3.5
258.10324	2.5
261.02148	15.3
262.02802	1.5
263.03766	6.3
265.01740	1.7
267.86447	1.3
269.02377	2.0
269.04901	2.6
271.00592	5.2
275.03674	15.0
286.07428	8.8
289.01584	7.3
302.02512	2.3
303.03125	16.6
313.01730	1.6
316.00174	1.9
317.01083	2.9
329.04892	1.5
331.02646	21.9
349.03699	100.0
350.03912	2.2
357.04016	8.3
367.04776	32.8
375.05344	14.7
385.03745	5.1
392.07919	2.2
403.04684	5.2
421.05817	44.4
438.08414	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
53.16473	0.7
55.01860	6.6
55.05502	19.1
57.03444	4.3
57.07053	2.2
59.04994	7.4
65.03923	3.0
65.74268	1.0
67.05494	100.0
69.03404	1.6
69.07053	4.8
70.06571	2.3
71.01374	0.9
71.02712	1.9
71.03060	0.9
71.04986	5.6
73.02911	0.7
79.05476	17.2
81.03407	7.5
81.07046	28.0
83.01328	5.4
83.04977	8.8
83.08608	13.4
84.08125	10.0
85.02905	4.1
85.06521	2.8
85.58978	0.9
88.07624	1.6
89.60779	0.9
91.05469	17.0
93.06492	1.5
93.07031	19.9
95.04959	8.0
95.08589	13.1
97.02860	2.4
97.06533	4.0
97.10129	2.2
99.04429	1.1
99.08069	0.9
102.09154	0.9
103.05448	1.5
103.58265	0.7
105.07028	6.9
107.04939	6.0
107.08575	12.2
109.06504	4.4
109.10141	74.0
110.10452	1.6
111.04436	2.6
111.08088	4.2
112.60223	0.8
117.06998	6.1
119.08572	12.8
121.06458	3.0
121.10105	6.4
123.08054	7.9
125.09592	2.4
127.11125	0.8
129.06987	2.5
130.07745	1.6
130.08604	13.5
130.15941	1.7
131.08569	3.0
133.10115	1.7
135.08041	2.5
135.11678	8.0
135.12633	1.3
135.58932	0.8
137.02278	0.8
137.09575	3.5
145.10081	12.3
147.08023	2.5
147.11702	1.2
149.02347	3.8
153.12715	2.8
155.08472	1.2
155.10651	4.0
163.11157	20.7
164.08005	0.8
173.09569	2.7
173.11717	27.5
177.04121	0.7
181.12262	4.4
191.10577	2.4
193.04871	3.4
209.11699	6.7
227.12759	6.3
228.23210	4.3
237.07568	4.3
300.09375	1.6
308.09064	4.4
310.90207	0.8
437.25256	82.4
438.28055	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1436
Annotation	1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
70.20464	5.1
80.53554	1.0
81.03389	1.1
85.02903	2.2
107.04935	100.0
108.05253	1.3
109.02811	1.2
113.86088	1.0
123.04367	1.0
126.17313	0.9
127.03902	1.0
139.03860	1.8
149.05992	2.3
151.03882	4.3
163.03937	2.3
165.05301	1.4
169.04913	1.2
175.03865	1.5
179.22314	0.9
181.04848	5.1
193.04922	8.2
205.04959	2.5
207.06496	1.5
211.05933	6.4
217.04942	2.0
229.04974	1.5
235.05882	7.0
247.05907	4.1
257.22141	1.0
259.06027	2.6
275.08957	3.7
277.07187	2.4
287.09149	6.4
299.09134	5.6
303.05060	1.7
304.05371	1.5
305.05484	5.1
317.10117	9.6
341.10159	11.7
353.10175	10.0
365.10159	3.5
371.11017	1.3
383.11151	3.1
401.12143	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.0
55.01864	13.7
55.05493	3.1
57.03412	7.1
61.02908	5.9
61.47075	2.3
67.05489	4.3
68.99772	4.7
69.03421	35.3
69.07053	9.3
69.59013	7.2
69.59438	13.5
70.74146	1.9
71.04972	5.6
73.02905	13.4
74.97511	1.7
79.05484	16.3
81.03403	37.0
81.07047	14.7
85.02893	100.0
87.00813	39.5
87.04456	1.9
91.03941	4.0
91.05466	5.7
92.62257	1.9
93.07030	27.0
95.04941	3.4
95.08592	5.8
97.02876	50.0
97.06522	3.4
99.04431	20.3
105.01849	45.7
105.07007	6.9
107.04961	2.2
107.08575	23.7
109.02859	36.1
109.06480	1.9
109.10152	3.8
115.03903	6.0
117.01820	6.2
119.08566	3.1
123.04420	5.3
127.03895	87.1
129.01811	6.3
130.09958	2.0
131.04919	1.9
131.08603	2.0
133.10098	5.7
135.11665	65.1
137.02263	3.6
137.13239	5.3
145.04929	41.7
147.02847	3.6
147.11635	2.5
153.12726	5.2
158.01700	2.2
159.02864	27.1
161.04466	3.9
167.20795	2.3
169.01311	2.7
170.01421	2.4
177.04030	2.6
189.04051	2.1
191.03380	7.8
197.81027	2.6
213.03928	4.0
231.04926	18.2
274.07703	4.2
301.06970	2.3
303.04840	3.1
304.05267	5.5
365.08795	2.1
415.39532	2.2
436.07385	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.05484	1.2
57.03410	0.7
59.04978	0.9
67.05489	1.0
67.10838	0.4
69.03405	1.4
69.07042	2.0
70.13873	0.8
70.14296	1.6
71.04603	0.6
71.04977	11.6
73.02908	0.4
73.06544	3.5
76.45619	0.4
79.05474	3.7
81.03387	1.1
81.07036	14.4
83.08523	0.4
84.14584	0.4
85.02886	4.2
87.00835	2.3
91.05455	1.6
93.07023	9.9
93.38675	0.4
95.04950	0.6
95.08589	2.1
97.02864	1.8
97.06503	1.0
98.20775	0.5
99.04481	0.4
99.51868	0.4
105.01853	4.0
105.03353	0.8
105.07024	0.4
107.04943	0.5
107.08569	7.3
109.02837	0.9
109.10161	1.9
111.08086	0.5
119.04882	0.6
121.02882	0.6
123.04419	3.1
127.03886	2.6
135.04370	1.0
135.11664	17.4
137.02322	0.6
145.04895	1.0
147.04353	1.6
153.01828	0.7
153.12709	100.0
154.13034	1.7
159.02927	0.7
163.03862	0.7
165.05426	0.4
172.15819	0.4
189.39708	0.5
191.03328	5.5
203.03531	0.6
231.05084	0.4
243.06441	0.6
249.06104	0.5
285.07559	1.0
289.05969	0.8
290.06299	0.4
303.05038	0.8
304.05325	1.6
343.08105	1.7
354.55121	0.4
395.11148	0.9
409.99103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15184	0.9
55.01854	1.8
55.75000	1.1
57.03428	6.5
61.02901	1.0
69.03410	3.8
70.06568	1.6
71.78012	1.2
72.08137	3.0
75.04440	1.2
77.03929	1.0
79.05483	2.5
81.03397	2.6
85.02894	11.5
91.05453	3.0
93.07012	3.5
95.04926	1.4
97.02876	3.9
99.04416	1.2
103.05456	3.0
105.07014	24.0
107.04926	2.2
109.02852	2.1
109.06490	1.5
111.04402	1.8
112.02126	0.9
117.84465	0.9
119.04920	1.1
120.08076	2.5
121.02850	57.6
121.06488	38.0
122.03299	0.9
127.03886	2.7
133.06473	57.4
135.04422	1.1
136.07561	6.2
137.02332	47.2
137.05956	100.0
138.02605	1.5
138.06290	1.5
138.09108	10.9
145.04924	2.1
154.05017	5.2
163.07533	4.9
165.09093	34.8
175.07518	3.0
181.08594	3.3
183.10162	26.5
203.10767	1.2
211.09746	1.1
221.11823	4.5
221.15401	1.4
224.81577	1.0
239.12679	3.4
256.09650	16.6
257.13806	70.9
258.14218	2.4
274.10699	47.1
275.11145	1.8
280.07935	1.3
296.72473	0.9
436.12631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39073	0.4
71.79089	0.4
77.03915	0.4
79.05478	2.5
95.04956	1.0
103.05457	2.3
105.07010	100.0
106.07314	2.0
107.04928	0.5
116.08123	0.4
121.06490	0.9
122.09644	58.7
123.09984	1.0
135.04375	0.6
137.02327	1.3
138.05487	1.2
138.09032	0.5
158.02710	0.4
163.03885	2.1
206.11742	0.8
221.02928	0.5
221.13474	0.3
274.10645	0.9
314.00488	0.4
377.07437	0.4
436.17001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03921	0.3
53.84907	0.3
60.79149	0.3
64.98730	0.3
69.03406	0.3
70.06587	0.6
71.79771	0.5
79.05473	2.1
81.03385	0.3
84.08141	0.3
85.02880	0.6
89.03916	0.4
89.93530	0.3
95.04951	0.8
97.21091	0.3
103.05441	1.7
105.07014	100.0
106.07348	1.9
107.04930	0.9
110.07146	1.3
120.08083	0.5
121.02888	0.8
121.06467	1.3
122.09649	56.7
123.09989	0.9
127.77306	0.3
135.04390	1.0
137.02313	1.2
138.05453	1.4
138.09064	0.4
145.02751	0.7
146.05975	0.4
151.85147	0.3
153.05443	0.8
163.03908	2.3
187.32185	0.4
217.07155	0.9
221.02994	0.4
236.46596	0.3
256.09506	0.4
274.10660	1.0
299.55627	0.4
300.71188	0.4
321.96796	0.3
375.17276	0.5
376.16052	2.2
377.06680	0.4
419.08780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
53.42955	0.5
55.01862	0.7
57.03416	0.7
58.06835	0.4
67.05471	0.5
67.65013	0.4
69.03403	1.3
70.06573	1.6
71.04980	0.6
71.80404	0.6
72.08138	0.6
73.36179	0.5
76.13668	0.4
77.90518	0.5
81.03373	2.4
85.02894	3.3
86.09649	0.5
91.05474	1.5
92.22114	0.6
93.07016	1.9
94.55683	0.5
95.04997	0.8
95.08585	1.2
97.02881	1.5
99.04427	0.8
100.34593	0.5
103.05433	2.1
105.03424	1.1
105.06978	0.5
107.08572	1.2
109.02850	2.5
111.04418	1.0
118.06548	0.6
119.04939	0.6
120.08080	56.6
121.02846	8.1
121.06483	9.2
121.08330	0.6
123.04468	0.8
127.03903	2.3
135.11633	0.6
136.07518	0.7
137.02318	100.0
137.05942	1.9
138.02629	1.1
138.09125	3.3
145.04916	0.7
147.04352	0.8
153.01784	1.1
154.04953	0.7
164.07048	1.1
179.10655	0.7
193.85693	0.5
210.07570	0.8
221.11697	1.3
239.12794	1.3
256.09650	46.6
257.10086	1.5
257.13831	0.6
274.10690	18.7
275.11237	0.7
382.29443	0.5
436.16245	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.04863	1.1
57.03417	6.1
61.02938	1.7
63.97129	1.3
69.03413	4.4
69.78217	8.8
69.78626	2.8
70.06585	2.9
71.04964	1.4
72.08144	5.6
75.04478	2.2
79.05488	1.9
81.03397	4.6
85.02888	13.5
91.05469	3.6
93.07039	5.5
95.04942	2.5
97.02879	4.4
99.04449	2.3
99.62894	1.1
103.05453	4.6
105.07017	18.8
107.04956	2.2
109.02870	4.4
111.04440	2.1
119.04951	2.1
120.06395	1.3
120.08105	5.4
121.02848	100.0
121.06488	70.8
121.07388	2.0
122.06013	2.0
127.03910	6.4
133.06473	48.6
136.07532	8.8
137.01431	1.3
137.02322	92.3
137.05957	94.5
138.09117	24.3
139.09555	1.5
145.04935	2.9
149.21167	1.2
151.07587	1.9
153.05435	1.3
154.04962	12.5
154.08588	1.9
163.03978	1.4
163.07555	4.4
165.09097	34.9
166.08646	2.0
175.07521	4.0
181.08551	2.0
183.10141	24.4
211.09645	1.3
213.42789	1.5
221.11732	5.1
239.12834	3.5
256.09665	27.1
256.12167	2.3
257.13794	59.1
258.14337	1.3
274.10703	77.3
275.10913	2.6
280.08081	1.7
282.33707	1.3
418.14850	1.6
436.12103	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
69.03407	0.5
70.06566	0.7
71.01321	0.4
71.77790	0.3
71.78197	0.4
72.08139	0.4
72.76159	0.3
80.10755	0.3
81.03405	1.4
84.08166	0.4
85.02907	1.5
89.06023	0.9
91.05461	3.6
93.07032	6.5
95.04949	1.5
97.02884	0.7
103.05442	4.6
105.06986	0.3
107.04925	0.4
109.02848	1.0
111.04413	1.2
116.07049	0.4
119.55394	0.3
121.02859	5.0
121.06486	86.0
122.06856	1.6
123.04398	0.5
127.03882	1.4
133.06482	1.1
135.06647	0.4
136.07568	0.3
137.02322	100.0
137.05833	1.7
138.02638	1.3
138.09119	25.2
140.55414	0.4
145.04976	0.3
154.04984	1.9
163.03893	0.9
164.07065	0.3
164.18513	0.3
165.09061	0.5
180.06490	0.6
256.09610	1.8
257.13803	1.0
274.10690	80.6
274.66901	0.3
275.11038	2.4
316.88614	0.4
382.17444	0.3
436.16010	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01849	0.5
58.46302	0.3
65.03921	2.3
67.05486	1.0
69.03410	1.5
70.38203	1.3
78.03432	2.7
80.04987	0.7
81.03402	3.7
81.07041	0.3
85.02867	1.9
93.03375	0.8
93.22594	0.2
95.04938	0.8
96.04494	0.9
97.02891	1.2
99.04449	0.9
103.05467	0.3
106.02897	11.6
108.02078	1.1
109.02857	2.8
111.04435	2.6
120.08080	10.4
123.04373	0.4
124.03929	19.3
125.05968	1.1
127.03880	1.8
128.04286	0.3
136.01517	0.4
137.02316	19.7
138.02679	0.3
141.05432	2.7
151.03879	100.0
151.04906	4.8
152.04202	2.0
161.06029	0.3
166.05042	0.3
169.04939	0.9
190.16428	0.3
201.87296	0.3
202.10884	0.3
232.06013	0.3
235.06033	0.3
250.07066	6.4
256.09656	8.8
266.45706	0.3
268.08109	6.8
268.10965	0.4
273.11230	0.3
274.10687	1.6
304.05371	0.7
400.10229	1.9
418.11221	3.5
436.12338	5.5
437.12497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03871	1.6
55.01844	1.7
55.05490	6.3
56.05029	17.7
57.07054	2.3
60.29034	1.6
67.05495	12.8
69.03407	4.7
69.03792	1.7
69.07053	10.7
71.04971	2.7
71.68777	3.6
79.05465	7.8
81.07037	14.6
81.63846	1.5
83.04957	4.3
83.08595	5.6
84.08123	1.7
91.05468	14.2
93.07018	18.9
95.04939	4.6
95.08571	14.2
97.06508	4.0
97.10130	2.4
103.05458	2.4
105.07021	15.0
107.08567	13.3
109.06504	33.7
109.10150	18.2
111.08053	2.9
115.05380	1.6
117.07002	3.7
119.08565	12.1
121.06524	2.4
121.10110	14.7
123.08056	3.3
123.11655	3.2
125.05983	2.5
125.09609	3.7
128.06184	3.7
129.06938	4.1
131.08562	9.4
133.10078	4.5
135.08006	6.2
135.11653	2.5
136.11197	2.8
137.09627	8.5
141.06874	1.8
142.07768	3.4
143.08522	6.8
144.09308	2.1
145.10112	9.8
147.08008	3.0
147.11662	3.8
149.09573	7.7
153.05418	6.0
154.12242	100.0
155.08545	2.7
155.10616	2.2
156.09296	2.4
157.10135	8.7
159.08023	6.9
159.11691	5.3
161.09698	2.7
165.06989	2.1
167.10677	9.0
169.10057	4.7
171.11694	6.4
171.14903	78.0
173.09520	3.2
173.13213	3.1
179.08540	3.0
181.10072	3.2
182.10945	1.9
183.11714	2.4
185.09557	2.0
185.13167	3.6
187.11023	2.2
189.12737	2.0
191.14259	2.9
193.10037	2.9
195.11694	6.4
197.01903	1.8
197.13242	4.3
200.11974	1.8
201.12659	2.8
207.11739	2.5
209.13226	2.7
211.14864	1.8
212.77872	1.9
213.12634	4.5
213.16205	1.7
215.14328	1.9
221.13245	4.1
221.15398	2.2
225.16454	1.8
233.15285	4.3
235.14713	2.5
247.14784	2.1
253.15773	2.8
299.20139	2.4
417.33871	3.7
418.36710	5.4
435.28711	10.5
435.39334	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	435.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	21.7
56.96537	2.5
57.03430	12.4
57.07052	8.6
67.05495	49.8
69.07059	24.7
71.08604	3.6
78.45472	1.9
79.05481	16.4
81.06598	3.4
81.07049	59.4
83.04983	2.6
83.08595	14.5
85.06523	2.2
91.05458	14.8
93.07031	21.7
95.04961	6.3
95.08593	52.1
95.85173	2.1
97.06514	6.4
97.10136	5.0
98.21447	7.1
98.98454	54.8
99.08056	3.8
105.07011	15.8
107.08591	16.0
109.06503	68.2
109.10155	22.2
111.08042	4.3
111.11691	2.4
115.69941	2.1
117.07027	3.3
119.08556	16.0
121.10126	12.3
123.08023	4.8
123.11673	8.3
129.06935	3.6
131.08580	4.9
133.10106	11.8
135.08022	4.9
135.11667	8.0
137.13150	4.4
143.08536	4.6
145.10088	5.7
147.11674	8.9
149.13214	3.6
151.07509	4.6
151.14886	2.4
153.17087	2.2
155.01010	37.0
157.10065	5.3
159.11688	2.8
161.09668	4.1
161.13248	3.9
161.54059	2.3
165.09100	3.5
171.11771	2.8
173.02089	11.1
175.14905	3.5
181.00691	2.0
183.11903	2.3
201.12671	2.4
213.12718	2.6
221.15370	2.9
227.14301	3.6
229.07422	3.5
245.22559	13.4
247.08435	2.2
263.23697	26.9
269.15469	2.2
303.04788	5.5
321.17712	2.4
337.27332	100.0
338.27725	7.9
343.22424	2.8
405.14536	2.5
435.21976	2.1
435.28452	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	435.2499
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.93905	2.5
55.05503	21.1
55.78950	2.6
57.03419	9.4
57.07055	10.6
57.47128	2.3
67.05495	69.2
69.07060	26.2
70.12183	2.8
70.79223	10.9
71.08632	3.0
79.05484	21.5
81.06593	5.0
81.07041	80.4
83.04952	4.0
83.08614	15.5
85.06512	4.2
85.68630	3.3
91.05470	16.1
93.07034	22.9
95.04960	11.7
95.08594	64.0
97.06532	7.7
97.10155	8.1
98.98454	100.0
99.08089	4.3
105.07014	11.5
107.08572	18.6
108.09852	2.8
109.06493	8.9
109.10139	29.5
111.08031	3.6
111.11728	2.9
116.99448	3.4
119.08544	10.8
121.10127	15.9
123.07921	3.8
123.11712	13.2
125.09534	4.6
133.10094	14.7
135.11653	7.2
137.09599	3.5
137.13214	6.7
143.08554	4.9
145.10086	2.9
147.11661	8.8
149.13202	5.2
151.14772	5.3
155.01012	89.2
155.14368	3.1
155.72076	2.6
157.10112	4.1
161.13257	7.8
163.14839	5.9
165.16310	3.7
169.10078	2.6
173.02129	7.2
175.14761	5.5
189.16397	3.0
197.02066	3.0
206.57835	2.4
238.05762	2.5
245.22621	24.8
263.23682	61.7
264.24133	4.4
303.04990	3.8
337.27310	66.3
343.22385	4.1
417.33453	5.7
435.21320	10.8
435.27216	5.7
435.32877	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	435.1282
Annotation	Hemiphloin
Peak:m/z	Relative Intensity
53.03930	1.6
55.01866	1.7
57.03415	5.8
57.22426	0.9
67.05487	1.6
68.99776	2.1
69.03417	2.8
71.13029	1.8
75.05334	0.9
81.03399	3.3
85.02888	18.2
91.05473	3.0
91.22800	0.9
95.04951	3.4
97.02890	4.1
101.05997	1.4
103.03934	2.0
103.05422	1.4
105.03407	1.2
105.07021	1.1
107.04922	3.6
109.02832	5.0
110.68304	1.1
115.03922	1.6
119.04905	4.4
120.08077	14.9
120.08873	1.9
121.02856	16.8
121.06472	2.1
122.03183	2.0
123.04408	3.8
125.02312	2.1
127.03890	4.4
135.04349	2.0
136.07547	2.3
137.02325	40.4
137.03333	1.9
138.02658	1.6
138.09103	1.1
141.01764	1.3
147.04372	14.2
148.04842	1.2
149.02330	1.6
151.03856	1.7
153.01805	5.1
163.03874	6.8
165.01820	30.6
165.03165	2.0
171.02834	3.6
175.03918	2.4
177.01791	12.7
177.05490	1.1
179.03343	2.5
183.01254	1.0
183.02879	21.4
187.04028	1.8
189.01785	6.1
191.03368	20.8
195.02866	100.0
196.03178	2.2
203.03378	2.6
205.04964	2.6
207.02870	1.4
209.04524	1.6
215.03386	3.0
218.71609	1.0
219.02852	34.4
231.02835	27.5
233.04416	3.5
237.03877	1.4
243.02867	6.8
249.03885	12.5
249.61459	1.1
255.11238	1.3
256.09668	4.6
261.03918	25.8
273.03201	1.1
273.07446	5.3
273.12320	1.4
279.04956	6.4
285.04340	2.0
285.07532	39.8
286.07715	1.3
297.07678	15.5
299.07596	3.1
303.04974	4.0
315.08548	18.3
335.79562	1.3
339.08578	31.9
340.08823	1.4
351.08539	21.4
363.08566	7.6
369.09726	5.0
381.09671	13.7
399.10654	16.6
417.11829	3.4
418.14862	7.5
435.16339	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	435.1281
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.01860	0.4
56.69753	0.4
57.03405	1.5
62.42226	0.4
62.81833	0.6
63.44538	0.4
65.03928	0.5
67.01831	0.5
68.99760	0.7
69.03419	2.3
70.45167	1.9
71.04979	8.5
72.05289	0.5
73.02898	1.0
73.26200	0.5
85.02449	0.6
85.02898	9.9
91.05449	1.9
91.36287	0.4
95.04963	0.7
95.23032	0.4
95.40381	0.5
97.02864	0.5
104.00716	0.4
107.04929	3.2
109.02805	0.6
119.04923	7.5
121.02827	0.8
123.04421	2.4
127.03911	0.6
129.05473	2.2
133.43077	0.4
135.04385	0.7
137.02325	0.7
147.04382	30.4
148.04706	1.0
149.02315	1.5
153.01801	60.3
154.02130	1.3
163.03914	0.6
165.01814	1.3
171.02859	3.0
179.03360	0.9
183.02859	0.7
189.05431	0.8
195.02855	2.0
215.06969	1.3
231.06537	0.4
243.06631	0.7
245.04730	0.4
257.04446	0.5
263.05557	0.5
267.06442	0.7
271.05936	2.1
272.06345	1.5
273.07538	100.0
274.07877	5.3
278.12869	0.6
285.07590	1.0
289.06921	2.7
293.61847	0.4
295.06012	0.7
303.04965	10.1
304.05225	0.6
342.99521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0918
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
56.45695	0.3
57.03415	1.2
61.02889	0.5
67.05484	0.4
68.99783	0.8
69.03416	2.8
70.59360	1.3
71.01330	0.8
73.02905	5.0
81.03382	0.4
85.02890	3.1
91.15121	0.3
93.03400	0.3
95.04948	0.5
97.02869	2.2
97.77613	0.3
101.71658	0.3
107.08614	0.3
109.02847	0.7
111.00791	1.1
115.03903	2.4
117.06968	0.3
121.02860	1.2
123.04408	5.2
127.03898	0.8
133.04895	0.5
135.04431	0.6
137.02307	4.1
145.06418	0.4
147.04385	0.9
149.02332	0.8
153.01785	3.8
161.05962	0.5
163.03952	1.7
165.01816	1.7
178.41745	0.3
179.14238	0.5
183.02872	0.5
183.04340	0.6
187.03954	0.4
191.03348	0.4
201.05496	2.1
219.06514	0.4
227.28401	0.3
229.04910	3.8
239.03481	0.3
247.06078	0.7
257.04373	2.9
271.06003	0.5
273.07443	0.3
274.04718	0.9
285.03900	1.4
303.04947	100.0
304.05295	2.0
325.06989	1.7
393.09332	0.4
435.10541	1.4
435.16006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0915
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.66747	0.3
52.62003	0.3
57.03428	1.8
61.02922	1.8
68.99795	0.4
69.03413	0.6
70.16424	1.6
71.01327	0.6
73.02905	14.2
78.51600	0.3
80.64377	0.3
85.02872	0.5
87.04437	0.3
95.05004	0.3
96.52724	0.3
109.02879	0.7
109.67835	0.3
111.00773	0.7
115.03906	1.2
121.02866	0.8
128.85777	0.3
129.39417	0.3
137.02327	3.0
149.02324	0.5
153.01793	4.3
163.03836	0.5
165.01805	1.9
173.05989	0.4
183.02835	1.0
183.04282	0.4
183.30344	0.3
195.02855	0.5
201.05376	2.1
211.03856	0.3
229.04915	4.4
247.06017	0.4
257.04404	2.7
274.04703	0.8
285.03928	1.7
303.04938	100.0
304.05267	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
56.63206	0.2
57.03426	6.7
61.02922	2.1
68.99773	0.5
69.03425	0.5
69.73714	1.0
69.74153	0.9
71.01330	0.4
73.02905	15.7
81.03425	0.3
81.68096	0.2
85.02911	0.5
93.03385	0.5
94.73415	0.2
95.04949	0.3
98.20632	0.3
109.02888	0.5
111.00761	1.1
115.03904	1.0
115.71558	0.3
116.79107	0.3
121.02827	0.9
123.04389	0.3
127.03877	0.4
128.40627	0.2
137.02310	3.3
149.02327	0.3
153.01808	4.4
154.02162	0.2
161.05968	0.4
163.03920	0.6
165.01819	2.0
173.05975	0.3
183.02875	1.0
183.04376	0.3
195.02747	0.3
201.05428	1.9
219.06439	0.4
229.04910	5.3
247.06056	0.8
248.69696	0.2
257.04428	2.8
262.45197	0.2
273.06418	0.3
274.04663	0.7
275.05237	0.4
285.03891	1.3
303.04944	100.0
304.05319	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	434.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75706	2.7
57.07056	3.3
67.05497	4.5
69.03419	3.4
69.07036	4.4
71.78706	3.2
72.04432	2.2
79.05463	3.6
80.82788	2.7
81.07047	2.9
86.09676	2.5
91.05463	2.6
93.07034	2.9
95.04951	4.8
95.08598	4.5
99.21510	2.5
103.05469	2.5
105.03392	3.8
105.07018	4.8
107.04947	23.7
109.06483	5.6
109.10147	3.7
121.02807	2.8
135.08040	7.2
163.07506	12.6
167.07066	15.0
180.07916	2.3
184.07292	7.2
195.10136	100.0
196.10446	4.2
299.76120	2.5
303.04993	5.7
388.83420	4.1
406.46399	2.6
434.24234	5.5
434.38275	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	434.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01639	0.4
53.03925	0.5
54.73276	0.4
55.01844	0.7
55.05492	0.5
57.03423	0.7
69.03413	0.8
70.04781	0.4
70.06568	0.5
71.04971	0.5
71.78066	0.6
72.08144	0.6
79.31779	0.5
81.03377	0.7
84.04426	0.4
85.02895	2.6
87.09527	0.4
90.91286	0.5
91.05470	3.4
93.07015	4.8
95.04938	1.5
97.02872	2.6
99.04459	0.7
103.05454	3.4
105.02827	0.4
105.09045	0.4
107.04957	0.9
107.28399	0.4
110.06021	0.7
117.83022	0.4
119.01855	0.5
119.04910	1.2
121.06483	100.0
122.06820	2.3
123.04398	1.9
123.05506	0.4
126.05501	0.5
127.03893	1.2
129.10172	0.4
133.03433	0.4
135.04480	0.5
136.06177	1.3
136.07486	2.0
137.05936	1.5
138.05518	0.5
138.09114	31.2
139.09445	0.8
145.05017	0.5
147.04388	0.5
152.06996	2.5
153.05630	0.4
154.08621	0.5
161.02866	0.7
163.03915	2.8
164.04221	0.5
165.05452	1.3
182.08096	2.4
216.50883	0.4
245.05046	1.2
434.17999	0.6
435.07532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	24.3
57.07062	3.9
59.04710	2.7
59.04990	51.0
67.05495	14.5
69.03407	2.6
69.07051	7.9
69.48909	10.7
69.49338	10.4
71.04978	3.0
71.08619	2.1
71.96290	2.0
79.05475	13.0
79.62296	2.0
81.07041	19.4
83.04941	4.9
83.08608	3.8
85.06528	100.0
91.05459	39.1
93.07037	28.3
95.04956	9.5
95.08599	21.9
97.06541	3.2
99.08081	5.8
104.06209	2.3
105.07003	36.0
107.04879	3.0
107.08577	25.9
109.06488	11.3
109.10134	14.6
111.08038	10.3
117.06992	15.7
119.08562	62.4
121.10120	24.7
122.07231	3.4
123.08024	8.7
123.11657	3.4
125.09606	24.4
128.06169	4.9
129.06967	8.4
130.07680	3.8
131.08533	22.2
133.10121	19.2
135.08008	7.5
135.11691	12.1
137.09613	19.1
141.06989	4.4
141.09090	2.8
142.07756	12.9
143.08536	21.0
144.09261	3.8
145.10101	29.1
147.08037	7.3
147.11629	12.5
149.09587	10.7
149.13293	2.4
151.11169	25.6
153.06985	2.9
154.07709	2.6
155.08545	7.6
156.09326	7.8
157.10109	24.8
159.08035	4.0
159.11693	13.5
161.09581	5.4
161.13152	3.3
163.11148	7.6
165.05615	2.2
165.06944	4.2
165.12695	3.0
167.08519	4.2
168.09351	4.8
169.10098	11.5
170.10849	5.7
171.11668	20.3
173.09579	3.4
173.13246	9.3
175.11163	7.9
177.12651	4.3
179.08545	5.9
180.09409	2.6
181.10104	5.3
182.10893	3.7
183.11691	14.6
185.13232	11.4
187.11150	2.6
187.14783	4.4
189.12712	6.6
191.14241	3.1
193.10144	2.5
194.10831	6.4
195.11685	8.8
197.13191	8.8
199.14806	4.5
203.14270	7.7
206.10919	3.8
207.11612	5.9
208.12436	3.1
209.13225	12.0
210.19844	2.2
211.14757	6.4
215.14308	5.0
219.11670	3.0
220.12323	3.5
221.13251	11.2
223.14815	7.5
225.16212	2.8
227.14127	3.5
230.24770	9.1
235.14690	4.7
235.16884	3.0
237.16328	4.0
241.15887	2.2
247.14812	3.1
249.16310	2.5
251.17970	2.9
261.16345	3.7
263.17950	4.7
265.19205	3.7
275.20172	3.2
291.20880	3.2
299.27609	2.3
309.21918	2.2
341.24609	3.7
383.27411	2.8
415.29691	3.6
433.30777	10.7
433.37366	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	433.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01867	7.7
55.05500	25.1
55.88812	0.7
57.03426	6.9
63.23381	0.8
65.03912	2.3
67.05490	29.9
69.03403	3.7
69.07055	9.7
71.04966	2.2
71.10249	1.9
79.05478	40.4
81.03402	6.4
81.06586	1.6
81.07041	25.6
83.04975	5.1
83.08601	11.0
85.02872	2.0
85.06506	1.1
91.05462	31.7
93.07024	25.7
95.04947	28.2
95.08585	13.9
97.06507	5.4
97.10147	18.3
99.08104	1.4
103.05441	2.3
105.03371	1.9
105.04500	1.0
105.07001	22.1
106.07366	1.3
107.04929	16.9
107.08569	19.0
109.02833	1.7
109.06490	3.5
109.10129	6.2
111.04436	0.9
111.08063	2.4
115.05419	2.9
116.06228	1.1
117.06994	14.3
119.04913	3.0
119.08551	10.5
119.15738	0.9
121.06480	14.8
121.10112	13.3
123.04399	1.2
123.08035	5.7
125.09608	14.8
127.03918	2.5
128.06151	3.9
129.05470	1.9
129.06969	20.7
131.04901	10.6
131.08546	22.0
133.06474	6.8
133.10066	5.9
135.04396	3.2
135.08038	7.3
135.11670	3.4
137.05957	0.9
137.09607	2.4
141.06961	7.9
142.07753	1.7
143.08548	12.0
143.10638	0.9
143.96188	0.8
144.05652	1.0
145.06459	17.3
145.10094	9.8
146.07121	0.9
147.04405	1.0
147.08026	8.4
147.11632	2.9
149.09589	18.4
151.07530	1.2
153.06981	2.0
153.09071	1.8
154.07767	3.3
155.08514	6.8
156.09282	1.1
157.06480	2.7
157.10130	6.0
159.08011	6.0
159.11649	7.7
161.09592	4.5
161.13208	3.1
163.03931	2.2
163.11127	4.6
165.06964	1.4
167.08537	3.6
167.10532	1.1
169.06419	1.0
169.10065	11.5
171.08008	3.8
171.10262	0.8
171.11641	16.3
172.11928	1.0
173.09596	7.0
173.13205	1.5
175.11153	3.6
177.12741	1.6
179.08562	2.3
181.10103	4.1
183.08009	1.7
183.11639	5.8
185.09598	4.0
185.13199	4.1
187.11165	8.3
189.09093	3.5
189.11177	9.2
189.12747	12.0
193.10155	1.3
193.12132	1.3
195.11740	4.0
197.09602	3.4
197.11557	0.8
197.13266	3.1
199.11162	3.0
201.12704	2.5
203.10680	1.9
203.14374	1.0
205.10385	1.4
205.12180	6.0
207.11722	1.5
209.13171	1.8
211.11157	7.2
213.12735	2.8
215.10675	3.0
215.14339	1.7
221.13371	1.5
223.11331	1.3
223.13087	4.8
225.12712	3.2
227.12569	5.7
227.14690	1.2
229.12228	3.8
229.15825	0.9
231.13806	3.5
237.12575	1.0
239.14334	2.2
243.13702	4.2
247.13246	1.9
249.14778	1.8
255.13843	1.3
257.15396	2.5
259.09705	4.1
261.14847	1.8
267.15811	2.6
273.14725	2.5
275.16379	1.3
295.20694	2.4
305.18832	2.5
313.18271	1.1
313.21625	5.7
323.19998	23.0
324.19873	1.3
331.22705	1.7
335.18481	1.5
341.21051	94.4
342.21347	6.2
359.22119	8.5
377.23248	1.4
379.22617	1.4
387.25006	1.0
397.23608	2.0
415.24728	45.8
416.24869	3.1
433.25787	100.0
434.26141	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2345
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03932	2.8
55.05505	8.8
57.03429	7.4
57.07059	3.0
65.03913	1.5
67.05492	49.1
69.07052	10.6
69.60623	13.0
71.04981	2.1
71.08610	2.4
75.45264	1.4
79.05482	27.0
81.07040	53.9
83.08597	6.2
91.05453	14.0
93.07027	38.2
95.04907	3.1
95.08589	40.4
97.10132	2.8
98.98447	67.3
105.07013	12.5
107.08572	29.9
109.06481	3.1
109.10143	19.9
116.99475	2.6
117.06974	5.4
119.08575	11.1
121.10120	17.9
123.07987	1.2
123.11699	8.4
131.08554	11.9
133.10112	8.3
134.23131	1.3
135.08054	1.6
135.11656	15.6
137.09628	2.0
144.11040	1.6
145.10110	8.9
147.11636	4.3
149.09596	1.5
149.13231	11.8
151.14803	1.7
155.01007	12.5
159.11674	8.6
161.13263	6.5
163.14752	7.8
173.02113	14.3
173.13173	6.8
175.14822	3.3
177.16348	3.2
187.14766	4.1
233.22530	2.9
243.21065	14.1
261.22095	44.7
262.22491	2.1
268.18411	1.6
279.22974	1.5
291.23264	1.3
317.24646	7.4
335.25751	100.0
336.25934	4.6
362.44901	1.4
370.32080	1.5
414.91620	1.3
415.22336	3.9
433.35120	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.1
55.01858	1.8
55.05503	13.1
57.03417	6.4
57.07059	4.3
65.03907	2.0
67.05494	45.8
69.07047	10.4
71.04998	2.1
75.04464	3.2
79.05479	36.1
80.25122	1.4
81.07043	50.5
83.04948	1.6
83.08625	7.4
85.06505	1.8
91.05470	17.4
93.07031	46.0
95.04934	4.4
95.08595	42.3
97.06505	2.0
97.10160	3.0
98.98450	100.0
105.07015	19.0
107.08585	32.5
109.06429	1.6
109.10139	22.4
111.08121	2.0
116.99481	1.7
117.06997	6.1
119.08558	14.2
121.10128	24.8
123.08035	2.4
123.11676	7.1
125.09590	1.6
131.08540	16.5
133.10109	13.0
135.11684	19.3
137.09607	2.1
137.13217	3.5
139.11090	1.6
140.01071	2.4
145.10095	11.9
147.11662	7.8
149.09589	1.7
149.13200	15.9
151.14804	2.4
153.12682	2.0
155.01035	25.4
159.11671	10.7
161.13228	6.3
163.14789	10.9
173.02090	16.9
173.13226	10.5
175.14851	2.9
177.16409	3.8
187.14819	5.6
192.81195	1.5
201.16452	2.1
233.22610	3.7
243.21004	21.9
261.22089	71.4
262.22577	2.7
306.18289	1.6
317.24728	8.8
335.25748	60.0
336.25900	2.3
415.22433	10.6
433.30365	2.0
433.35538	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10883	0.2
53.03930	1.4
55.01860	0.5
57.03415	0.5
61.02915	0.6
63.81173	0.2
69.03416	2.9
70.06551	0.4
71.04968	1.0
71.10198	0.6
72.08170	0.4
73.02894	0.7
81.03403	3.7
83.04974	0.2
84.08129	0.2
85.02889	7.3
86.09688	0.4
95.04948	0.2
95.08520	0.2
97.02879	4.2
98.98431	0.3
99.04440	5.0
103.03927	4.4
105.03367	0.6
107.04938	0.2
109.02861	4.6
115.03941	0.3
121.02853	0.5
123.04402	0.5
127.03890	100.0
128.04211	1.4
136.07578	0.3
137.02332	2.6
145.04942	4.4
145.06120	0.3
145.06590	0.2
163.06017	0.8
169.04929	0.4
171.06500	0.2
187.05968	1.6
241.08527	0.4
253.07231	0.3
253.14456	0.2
259.06250	0.3
259.09116	0.2
271.08087	0.8
285.16690	0.4
287.05530	1.3
289.09183	0.3
362.91580	0.3
386.48248	0.2
415.10773	0.3
433.11002	0.3
433.21054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1335
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
50.67059	0.2
53.03923	0.9
53.66708	0.2
54.44478	0.2
57.03423	0.4
69.03414	1.8
71.04967	0.5
71.31583	0.6
73.02910	0.3
81.03410	2.6
85.02895	6.4
92.22160	0.2
97.02292	0.4
97.02873	4.2
99.04444	3.9
100.04784	0.2
103.03931	5.1
107.36317	0.2
109.02852	3.2
111.01411	0.2
112.72385	0.2
115.03965	0.3
120.34383	0.2
124.27642	0.3
127.03896	100.0
128.04247	1.9
137.02318	1.2
137.03233	0.2
145.04921	3.6
155.26695	0.2
163.05980	0.4
169.05060	0.2
180.27937	0.2
181.04987	0.2
187.05930	1.1
252.43198	0.2
253.07222	0.2
271.08157	0.6
277.10422	0.3
372.78809	0.2
415.19632	0.3
426.36649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Kaempferide 3-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
53.03932	0.9
55.01856	0.5
55.05482	0.7
57.03418	0.9
61.02910	0.9
65.03902	0.5
65.40406	0.3
67.05488	2.3
69.03398	1.5
69.07050	2.0
71.04962	1.1
71.81248	0.4
73.02509	0.6
73.02903	10.3
78.24228	0.3
79.05482	3.5
81.03391	1.4
81.07029	1.2
83.04959	0.9
83.08596	0.4
85.02892	2.8
89.03922	1.5
91.05450	0.6
93.07027	0.7
95.04947	2.3
95.08595	0.7
97.02870	0.6
97.06514	5.5
97.99162	0.3
99.04424	0.5
101.06622	0.3
105.03365	1.0
106.78493	0.3
107.04921	1.0
107.08627	0.4
109.02862	1.1
109.10149	0.4
110.74950	0.3
111.04394	0.5
115.03903	1.3
117.03388	1.5
121.02844	1.6
125.02376	0.4
127.03896	2.4
133.02783	0.6
134.03577	0.6
135.04370	2.3
145.02820	2.3
145.05003	0.4
147.04404	0.5
151.03888	0.9
151.07469	0.5
156.05698	0.4
157.06479	0.5
159.04398	0.7
161.02319	1.2
163.03871	8.0
163.39954	0.3
167.03389	2.7
167.08530	0.7
173.02324	1.9
179.03384	0.9
185.09511	0.3
187.05991	0.6
191.03369	0.5
197.04323	0.6
198.29411	0.3
199.07619	0.4
212.04825	0.5
213.09099	1.0
215.07021	2.5
217.04921	0.6
227.06949	0.9
236.17245	0.4
241.08554	12.6
245.08061	0.3
258.05234	4.1
259.09631	7.6
272.06796	0.7
283.05930	0.6
286.04623	3.6
287.05542	2.5
301.07010	100.0
302.07318	3.5
315.04926	0.5
316.05078	0.5
415.24384	0.4
433.14856	0.4
433.25876	0.7
451.29477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.112
Annotation	Isovitexin
Peak:m/z	Relative Intensity
65.65866	1.0
67.01841	1.0
70.99468	3.5
85.02885	1.1
119.04914	3.0
121.02867	7.4
127.03892	1.3
145.02773	1.7
163.03882	2.6
165.01816	11.3
167.03398	2.4
183.02876	5.0
195.02856	1.8
204.94864	1.1
233.04446	1.5
239.07022	1.1
255.06554	1.8
256.07281	1.7
267.06445	6.7
267.70230	1.2
270.05136	1.9
271.06003	5.6
279.06308	1.3
281.08057	5.1
283.05954	100.0
284.06686	16.7
285.07547	1.6
295.05939	12.8
295.09625	2.7
297.07507	6.5
297.10294	1.2
302.03058	1.0
305.08060	1.7
307.06000	1.5
308.06635	2.6
309.04120	1.1
309.07520	18.9
311.05435	2.4
313.07013	78.5
314.07355	1.9
321.07401	2.6
322.07944	1.3
323.05444	1.0
323.09088	18.5
325.07224	1.5
333.07404	2.4
337.06995	38.9
338.38736	1.0
343.08105	1.7
349.03357	1.3
349.07025	10.0
351.08704	3.6
355.08286	1.0
361.06909	7.7
367.08035	23.5
372.03757	1.3
379.08093	17.2
379.38699	1.2
397.09085	21.7
415.10193	24.7
433.11218	23.4
434.11340	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1124
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03913	0.1
65.03908	0.1
65.37686	0.1
67.01838	0.4
68.99793	0.2
69.03393	0.4
71.78806	0.2
79.19656	0.1
80.59179	0.1
81.03410	0.5
85.02892	0.6
91.05450	0.4
95.04923	0.1
97.02838	0.2
99.04415	0.4
100.73003	0.1
103.03897	0.1
109.02895	0.5
110.67499	0.1
118.40061	0.1
119.04914	1.9
121.02862	0.7
124.43250	0.1
127.03881	1.2
129.01775	0.1
141.06920	0.1
144.97333	0.1
145.02809	0.5
145.04922	0.1
153.01793	4.0
153.03055	0.2
163.03873	0.4
171.02876	0.6
171.04257	0.1
187.03802	0.2
187.05968	0.2
194.62422	0.1
213.09149	0.2
225.05342	0.3
229.04877	0.2
231.10016	0.1
241.08554	0.6
243.06549	0.3
247.05963	0.2
259.09604	0.3
270.05359	0.2
271.05948	100.0
272.06271	3.2
283.05841	0.2
308.14740	0.1
313.07095	0.2
323.05692	0.2
348.85925	0.1
367.07904	0.1
380.23416	0.1
415.09982	0.1
433.11102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03934	0.4
57.03428	3.7
61.02906	0.2
67.77502	0.1
68.99798	0.6
69.03402	0.4
70.33897	0.8
71.01335	0.3
71.04979	28.2
71.63567	0.2
72.05299	0.2
73.02897	0.5
75.04459	0.9
79.01468	0.2
79.05502	0.3
81.03407	0.3
83.04969	0.5
85.02889	27.9
85.74320	0.1
86.03218	0.2
87.04447	0.5
97.02841	0.2
99.04473	0.3
105.03379	0.3
107.04932	0.3
109.02877	0.4
111.00803	0.6
111.04418	0.5
121.02842	2.6
127.03870	0.5
127.04755	0.2
129.05450	6.5
133.02818	0.4
137.02336	0.6
137.23907	0.2
147.04407	0.6
147.06480	1.1
153.01796	3.6
157.06499	0.3
161.06055	0.2
165.01814	1.7
171.04291	0.2
183.02872	0.8
185.05908	0.4
189.05482	0.2
213.05450	1.3
217.04843	0.2
231.06490	0.5
241.04932	0.7
241.08685	0.2
241.88168	0.1
258.05191	1.1
259.06021	0.2
259.09409	0.2
269.04321	0.3
271.06000	0.7
287.05444	100.0
288.05795	3.2
299.05484	0.3
329.06546	0.3
379.08078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3464
Annotation	OMDM-1
Peak:m/z	Relative Intensity
51.03527	0.1
51.71827	0.1
55.05481	0.2
57.07062	0.6
59.04969	0.2
69.07022	0.3
71.08591	0.2
71.18217	0.1
71.18579	0.3
73.02840	0.2
73.83332	0.1
74.05856	0.1
81.04429	0.1
81.07015	0.3
83.33743	0.1
93.05772	1.0
94.06531	0.2
95.08599	0.2
96.85622	0.1
105.06936	0.1
106.05991	0.1
106.06535	1.2
106.73039	0.1
107.07273	0.4
118.06499	0.2
120.04453	1.7
120.08077	0.8
121.08813	0.2
122.06004	0.6
125.04671	0.3
134.05974	0.2
134.09567	0.4
135.06775	3.9
136.07506	0.4
136.22229	0.1
148.06441	0.2
148.07533	2.0
148.11151	0.2
149.08257	0.5
162.09109	0.4
162.12762	0.2
164.06973	0.2
176.10692	0.2
176.14322	0.2
178.08582	0.3
204.13818	0.1
206.19025	1.3
218.18993	0.4
220.09535	0.2
232.16937	0.3
232.20581	0.7
234.18407	0.6
244.20622	0.1
246.18472	0.2
248.20050	8.3
249.20270	0.4
260.20068	2.2
261.20676	0.1
262.21613	0.1
274.21564	0.9
276.19427	0.2
288.20374	0.1
288.23163	0.6
302.21130	0.1
302.24777	0.3
320.22174	2.2
332.22153	0.3
342.31210	0.2
360.32535	19.4
361.32935	1.3
377.68057	0.1
388.32037	0.3
400.52887	0.1
432.34637	100.0
433.35001	8.0
433.39606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.9
61.02918	1.2
65.33391	0.9
67.05488	1.5
69.03416	7.4
69.35049	0.9
70.06599	1.3
71.81287	1.2
79.05497	2.3
80.18559	1.0
81.03411	1.7
83.04965	2.9
85.02898	3.1
91.03970	1.5
91.05479	3.3
93.07027	9.3
95.04975	2.5
95.08613	1.3
97.02914	1.7
98.98472	1.7
99.04388	1.1
103.05468	1.7
104.73904	1.2
105.03366	3.9
105.07009	100.0
106.07365	1.3
107.04937	1.1
111.04420	1.9
119.04942	3.1
119.08519	1.5
121.02850	1.8
121.06490	24.6
129.05450	2.9
138.06435	1.0
147.06522	2.9
267.12344	4.5
271.57144	1.1
287.05582	1.4
311.01572	1.2
355.15253	1.1
387.18134	7.1
403.10251	6.9
422.95724	1.3
433.14804	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61117	2.0
53.03935	2.8
55.05494	6.3
57.03408	2.1
57.07079	2.2
58.55141	2.2
65.32165	2.5
67.05496	15.1
69.03414	4.6
69.07058	10.5
69.63337	4.4
69.63745	14.2
71.04994	5.1
73.02916	2.6
79.05488	15.6
81.03400	7.1
81.07045	89.2
83.08598	2.9
85.02893	15.0
89.03876	1.9
90.51326	1.8
91.05463	10.9
91.05946	1.8
93.07031	15.1
95.04962	4.4
95.08596	41.4
97.02863	2.8
97.06524	26.4
97.10149	4.3
99.04450	4.0
105.03377	4.6
105.07010	26.7
107.08578	28.4
109.02870	6.6
109.06516	2.8
109.10133	13.9
109.10766	1.8
113.05971	3.6
117.06976	3.1
119.08564	47.9
120.08100	2.6
121.02859	2.6
121.10137	12.1
123.08009	1.9
123.11688	36.7
125.09552	2.1
127.03893	8.5
131.08556	2.8
133.10097	28.2
135.04387	4.2
135.08018	3.1
135.11664	23.0
139.07480	3.3
145.04950	2.0
147.07999	3.1
147.11676	15.8
153.09117	5.8
157.10161	2.8
159.11679	5.4
161.02332	4.8
161.09622	4.7
161.13252	48.5
163.03914	13.5
173.02252	9.6
189.16362	100.0
199.14745	2.9
205.15773	2.0
215.06985	12.4
217.15800	18.0
235.16887	74.9
241.08621	2.8
259.09637	27.9
287.05637	9.1
301.07053	7.0
312.02286	3.4
314.03671	3.8
356.08276	4.2
400.11020	3.3
433.14563	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	432.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91479	0.2
53.03922	0.4
55.05487	0.3
57.03408	0.4
67.05465	0.4
68.99767	0.2
69.03430	1.5
69.07036	0.3
69.91074	1.8
70.06566	0.3
71.04948	0.4
73.02898	0.3
79.05479	0.3
81.03409	1.4
81.06997	0.5
85.02892	3.5
86.09704	0.3
88.08186	0.3
89.64188	0.3
91.05453	0.6
93.07009	0.3
95.04932	0.6
97.02872	1.6
97.06505	0.5
99.04446	1.7
100.11199	0.4
100.54296	0.3
102.73262	0.3
103.03928	1.6
105.03355	0.6
105.07036	0.5
107.04931	4.1
109.02860	1.5
109.06525	0.3
111.04376	0.3
119.04884	0.8
119.08530	0.3
121.02838	1.9
123.04401	0.8
124.03888	0.4
127.02998	0.4
127.03889	4.8
128.06190	0.3
130.02808	0.3
131.04848	0.3
132.04402	0.6
133.05244	0.3
135.04358	0.6
137.02315	21.2
137.03322	0.7
137.05876	0.5
145.04948	1.6
153.01788	0.9
153.07001	0.4
163.03864	0.7
163.05989	0.6
165.12735	0.4
169.06477	0.6
171.07973	0.3
176.03320	0.4
178.06471	0.5
181.06418	1.2
187.06012	0.6
195.08060	0.5
196.07544	3.6
197.05922	0.4
199.07538	1.3
206.05968	2.2
207.13647	0.3
210.09175	0.4
213.09027	0.5
215.06967	0.4
224.07013	4.5
227.07018	0.5
234.05515	1.0
234.12042	0.3
238.04919	0.7
241.08588	1.0
242.08234	0.4
243.06531	0.3
252.06528	9.5
253.07127	0.4
259.09653	0.7
269.06796	0.4
270.07562	100.0
271.05841	20.3
281.08014	0.4
283.05927	1.0
300.05884	0.4
309.07547	0.3
311.12643	0.5
312.08438	0.3
313.07135	0.8
379.77951	0.3
397.09085	0.4
415.10303	0.4
432.12845	29.9
433.13522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.9
57.03414	1.9
57.07069	21.9
64.46033	0.8
67.01835	1.0
67.05491	4.0
69.07062	7.4
69.58894	6.8
71.04987	0.7
71.08618	15.0
75.84176	0.6
79.05460	1.5
81.07050	10.1
83.04961	2.7
83.08595	5.3
85.10165	8.0
89.01842	0.7
91.05447	2.3
93.07026	5.9
95.08592	9.0
96.80029	0.6
97.10133	4.5
99.11726	0.9
105.07016	2.1
109.06476	3.4
109.10131	4.1
111.08031	0.9
111.11695	2.2
117.07002	0.9
119.08536	1.6
121.06490	3.0
123.08057	4.9
123.11681	1.6
131.08528	2.2
133.06479	1.3
133.10127	1.9
135.08025	2.3
137.05959	14.1
138.06726	1.5
139.03908	0.9
139.07524	4.2
140.98537	0.8
143.08560	1.2
147.08049	3.9
149.05930	4.3
149.09569	1.3
151.07516	33.2
151.14807	0.7
152.07875	0.7
157.10158	1.3
159.07980	2.4
161.05957	5.0
161.09575	3.1
162.09738	0.8
163.07590	1.3
163.11005	0.9
165.05457	11.6
165.09077	11.3
167.07014	100.0
168.07423	1.9
168.08942	0.7
173.09688	1.0
175.07504	6.2
175.11137	1.6
177.05461	0.7
177.09087	5.0
178.06291	1.2
179.07022	6.5
179.10684	2.7
181.08577	4.9
185.09534	1.0
187.11026	0.6
187.85451	0.7
188.08330	1.3
189.09042	8.3
191.06982	2.2
191.10632	2.6
192.07780	3.1
193.08572	12.0
195.10136	2.0
203.10635	6.4
205.12207	2.1
206.09352	0.9
207.08325	1.3
207.10127	13.4
217.12209	3.9
221.11699	6.1
231.13795	1.6
235.13234	4.1
245.15327	1.2
249.14813	1.5
263.16373	0.7
277.17926	1.0
291.19595	1.1
305.21082	1.3
319.22653	1.6
337.62173	0.7
361.27481	1.0
373.31219	0.8
375.28900	1.1
385.34698	0.8
399.13434	0.7
403.35706	2.2
413.33984	6.5
425.02634	0.8
431.35141	60.7
432.35312	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	431.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43303	0.8
57.15862	0.8
61.24807	1.0
71.80539	1.4
81.82435	1.0
82.71516	1.0
86.09687	1.0
94.92986	10.5
100.97561	0.8
162.95604	1.2
186.95541	1.5
204.86870	1.7
206.86984	1.1
212.85210	2.2
249.91734	1.0
256.96088	60.3
257.96490	1.6
268.98145	1.6
270.97711	1.0
298.97122	20.6
299.97601	1.1
301.21494	1.2
385.00888	1.8
413.00336	4.3
431.01355	100.0
432.01434	4.5
448.30875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0966
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
51.58690	0.1
55.01859	0.3
55.05492	0.2
57.16312	0.2
61.02908	0.2
67.05494	0.4
67.23745	0.2
68.99786	0.4
69.03405	0.6
69.07050	0.6
70.47616	0.3
70.48016	0.5
71.01308	0.2
71.04974	0.2
73.02903	12.2
78.10476	0.2
79.05470	0.4
81.03393	0.4
81.07041	0.5
85.02886	2.0
85.06469	0.2
86.03197	0.2
87.04451	1.2
91.05465	0.4
93.07018	0.4
95.04935	0.3
95.08579	0.3
97.02863	0.5
97.06517	0.2
99.04424	0.3
105.03379	0.6
105.07030	0.3
107.04939	0.4
109.02864	0.6
109.10102	0.3
111.00786	0.8
114.34005	0.2
114.90977	0.2
119.08545	0.2
121.02843	2.5
121.10188	0.2
123.04453	0.2
127.03902	0.6
133.02837	0.6
135.04366	0.2
137.02322	0.7
137.05956	0.9
138.06317	0.5
145.04889	0.2
145.06462	0.3
147.04420	0.8
151.03818	0.2
151.07506	0.8
153.01813	4.2
157.06439	0.5
161.05878	0.3
163.03796	0.2
165.01811	1.9
165.05507	0.3
166.05782	0.2
171.04436	0.2
181.08604	0.2
183.02852	1.1
185.05942	0.5
191.07025	0.7
192.07344	1.0
205.08549	0.2
213.05423	1.9
216.10970	0.3
227.87254	0.2
229.04900	0.2
231.06516	0.3
233.11678	3.2
234.12021	6.5
241.04811	1.0
243.06442	0.2
252.13020	0.5
257.04465	0.2
258.05206	0.9
259.05911	0.6
266.08148	0.3
267.54019	0.2
269.04318	0.3
286.04660	0.4
287.05441	100.0
288.05789	4.5
328.00665	0.2
329.06525	0.3
425.56528	0.2
431.16333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3666
Annotation	Ningpeisine
Peak:m/z	Relative Intensity
53.98622	0.4
55.05494	0.6
57.07054	1.8
67.05492	0.6
69.07046	0.9
71.08611	1.3
73.49366	0.5
79.05476	0.4
81.07014	1.1
82.80518	0.3
83.08568	0.4
85.10152	0.6
89.69474	0.4
90.16682	0.4
93.07018	0.7
95.08589	1.1
96.08111	0.5
105.06982	0.4
107.08582	0.5
120.08080	2.6
122.09634	1.7
136.07428	0.4
137.09572	0.6
148.07521	0.9
148.11226	0.4
149.08363	0.8
149.09546	0.5
150.09074	2.3
162.09131	4.4
163.09700	0.4
165.09087	3.1
166.09407	1.2
190.08495	0.7
191.09219	0.5
204.10139	5.9
205.08672	0.4
216.10065	0.5
223.09723	0.8
246.14928	0.4
262.80084	0.4
274.21625	5.3
275.21915	0.5
276.20456	0.3
276.23172	7.9
300.23041	0.4
304.22662	2.4
314.24350	0.4
316.22751	3.7
318.24121	0.5
344.19479	0.7
412.35583	0.6
428.35193	5.8
429.35501	0.6
430.36746	100.0
431.37195	5.4
452.52295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.8
55.01852	10.9
55.05510	35.6
57.03429	14.2
57.07066	53.6
64.49627	5.4
67.05498	47.8
67.21709	5.3
69.03413	15.8
69.07068	43.7
69.64745	18.9
69.65168	29.5
71.04975	52.0
71.08620	65.6
74.64388	6.6
77.74653	5.7
79.05479	51.7
79.74564	6.1
81.03408	49.6
81.07043	73.2
82.03739	16.0
83.04957	35.1
83.08616	24.3
85.02892	11.4
85.06532	7.6
85.10168	36.2
85.49934	5.9
86.09705	7.4
91.05447	36.6
93.07020	35.5
95.04926	42.5
95.08603	76.7
95.98467	5.3
97.02874	22.2
97.06517	44.6
97.10135	11.7
98.21533	6.8
99.04436	13.1
103.05406	6.9
105.07009	100.0
107.04950	25.6
107.08576	24.3
109.06497	10.8
109.10160	17.1
111.08069	7.8
112.63995	5.5
116.12911	6.0
119.08540	22.4
121.06468	76.5
121.10139	12.3
123.08042	17.1
131.08533	11.6
133.06519	12.0
133.10089	16.1
135.08069	10.4
135.11626	7.6
137.05981	42.5
137.13293	9.2
147.08086	7.5
148.12042	5.8
153.09142	12.3
155.14294	39.0
165.05542	7.3
165.08990	6.3
175.14798	9.3
189.09009	8.1
193.12276	10.9
194.12563	17.6
195.10165	18.6
202.68016	6.5
205.08485	6.7
211.13211	32.2
211.16873	10.3
211.90765	5.7
212.13632	32.5
219.20990	7.1
223.09706	6.6
233.11691	10.9
237.18468	8.0
237.22266	6.3
239.20000	10.6
247.20427	6.0
256.26575	6.3
260.12775	11.4
260.23651	49.8
265.21634	19.4
277.21518	39.3
291.23145	27.1
344.19247	12.7
345.20715	6.5
350.95364	7.2
360.32382	8.1
408.42499	6.9
430.21469	54.1
430.29202	85.1
430.40289	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.5
55.05482	2.3
57.07060	1.8
65.03943	1.1
67.05487	5.4
69.07059	6.1
69.14713	1.1
70.04228	1.1
71.08617	2.2
71.78981	1.9
79.05479	12.0
80.05032	1.2
81.07021	4.3
81.09497	1.2
83.04962	6.5
83.08590	1.2
85.10178	2.4
91.05464	24.1
93.07017	1.2
95.04946	4.7
95.08544	2.1
97.06515	20.0
98.06044	1.5
105.06992	3.8
107.04910	1.3
109.10207	1.1
115.05448	1.6
117.07022	7.1
119.04909	14.5
121.06489	2.1
128.06187	2.1
129.06914	1.3
131.08537	3.0
133.06500	2.0
137.05963	57.9
145.06464	6.2
147.04372	3.0
153.26048	1.2
154.07730	1.8
157.06480	1.6
158.07256	3.0
159.07936	1.4
161.06003	1.8
164.07018	3.1
167.82306	1.3
173.06012	3.4
187.11169	2.9
189.09045	3.1
198.18463	2.5
201.08978	1.1
205.08539	2.1
207.39172	1.2
210.18527	12.6
215.10637	50.7
216.10852	1.4
223.09601	2.4
233.11682	6.7
242.11676	2.3
260.12753	9.6
276.15860	1.2
333.23004	1.4
344.19272	3.0
345.20459	2.1
412.28400	100.0
413.28641	4.9
430.29395	57.2
431.29724	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	430.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01850	1.8
55.05491	0.7
55.55561	0.5
57.07054	1.7
57.73850	0.4
58.21931	0.6
67.05500	2.8
69.03440	0.6
69.07057	8.6
71.08605	2.2
79.05475	6.9
81.07041	2.7
85.10140	1.7
85.53800	0.5
91.05466	14.3
95.04946	1.0
95.08574	2.0
97.06514	60.8
98.06049	0.6
98.06829	0.8
100.49284	0.5
101.47696	0.5
103.12224	0.4
105.07022	1.3
107.04926	1.2
107.08578	0.8
109.06510	1.3
119.04929	8.9
133.06433	1.6
133.10092	0.5
135.04395	1.5
137.05956	53.1
138.06287	0.9
145.06496	0.7
147.04393	7.7
147.58876	0.5
149.05911	1.1
163.07526	0.6
164.07043	2.7
177.09164	0.5
183.49173	0.5
189.09070	8.7
191.10632	0.7
192.17430	0.8
198.18500	0.8
205.08443	0.6
205.49213	0.5
210.18481	2.4
223.09573	0.7
229.57593	0.6
233.11693	17.4
233.13966	1.1
234.11928	0.7
260.12778	31.4
261.13223	0.9
276.15891	5.0
287.16678	0.5
344.19305	1.1
371.25778	0.7
430.29465	100.0
431.29764	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	430.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	1.5
55.02077	0.4
55.05503	2.0
56.05025	5.1
57.03414	0.5
57.05791	0.4
57.07066	3.6
58.06562	1.0
67.05484	2.8
68.05013	3.4
68.80885	0.4
69.03417	0.7
69.07056	3.9
70.02631	0.4
70.02940	3.4
70.06575	2.2
71.04951	0.5
71.08624	3.7
79.05455	1.2
80.05000	4.1
81.03376	1.7
81.07037	5.0
82.02929	0.9
82.03739	0.4
82.06564	0.9
83.04939	1.3
83.08588	1.6
84.04057	0.5
84.04495	6.8
85.02875	0.6
85.10155	1.5
86.05598	0.6
86.06052	7.4
91.05434	1.7
93.07008	1.2
93.73256	0.4
94.06530	1.1
95.04916	1.6
95.08588	4.6
96.04446	0.9
96.05335	0.4
97.02858	1.1
97.05215	0.4
97.06488	0.8
97.10137	0.5
98.03186	0.4
98.06036	29.2
98.20639	0.8
99.06826	2.5
102.39005	0.4
105.07001	1.3
106.07345	0.5
107.08557	0.9
108.05712	0.6
108.08112	0.4
109.02862	0.6
109.06473	0.7
109.10107	1.0
112.07584	2.7
119.08517	0.8
120.08861	0.4
121.10127	1.0
124.05169	0.8
126.09176	0.5
127.03903	0.5
130.06447	0.8
131.06833	0.7
132.08031	1.0
133.10051	0.4
136.04256	0.6
136.05170	5.2
136.07507	0.5
137.05978	4.2
140.14320	0.7
155.14253	1.5
157.09995	0.4
158.05974	1.5
159.06360	0.8
160.07555	1.5
161.05896	0.6
163.06261	1.8
163.14763	0.8
164.06985	1.4
168.17474	0.4
177.07843	0.5
177.81386	0.4
178.08604	2.9
179.09407	2.1
179.14389	0.5
181.15878	2.3
182.18974	0.7
185.07101	0.9
186.05568	0.5
186.07321	0.7
192.17444	9.0
192.23244	0.5
193.12271	0.9
194.12569	0.6
198.18497	7.9
201.10220	0.6
202.10593	0.8
205.08546	0.6
206.08086	4.3
210.18491	100.0
211.13222	1.2
211.18858	3.0
212.13597	1.8
216.10225	0.4
221.10432	3.7
223.09645	0.6
229.09802	0.6
231.07671	1.5
232.07838	1.2
234.11165	1.6
247.10680	0.7
248.11012	0.8
258.14801	3.1
260.12863	0.6
276.15936	3.1
301.96060	0.4
314.21045	0.7
332.22141	4.4
333.22922	13.3
334.23392	1.3
344.19385	1.1
356.18436	0.4
362.20462	0.9
398.22958	0.5
412.28104	0.6
430.29453	98.3
431.29843	7.8
432.02621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.05511	0.4
57.03418	2.1
59.04971	0.4
61.30709	0.3
65.03935	0.5
65.07209	0.3
67.05470	0.4
69.03405	0.7
69.07028	0.5
70.06586	0.6
71.78633	0.5
72.08138	0.9
81.03387	0.4
81.07035	0.9
84.08144	0.3
85.02914	2.3
86.09679	1.2
91.05456	11.8
92.05791	0.4
97.02846	0.7
97.06506	0.3
105.06979	0.5
106.06544	0.4
107.04881	0.5
107.08570	0.4
109.02856	0.8
109.06474	0.8
115.05433	0.3
117.07017	0.4
119.04913	6.8
123.04410	0.8
124.03922	0.4
127.03914	0.6
128.06177	0.4
129.06999	0.5
131.04871	0.6
131.08545	0.6
133.06450	0.6
137.05946	100.0
138.06268	1.1
138.70056	0.3
141.06976	0.7
143.04832	0.5
143.08522	0.8
145.06459	1.1
149.05960	0.8
154.07729	0.7
157.10225	0.4
159.08006	0.4
159.11702	0.6
160.05197	0.6
161.05930	3.7
163.03902	0.5
163.07498	1.1
163.11092	0.4
164.11557	0.5
169.10126	1.9
171.07932	0.4
173.05951	0.6
175.07516	0.3
177.09108	0.3
186.06772	0.5
187.07471	0.4
187.11095	0.8
189.09071	4.5
191.06955	0.8
193.06483	0.7
197.09563	1.1
205.12161	0.7
207.10152	2.3
212.93469	0.3
215.10625	4.4
221.58084	0.3
223.09511	0.5
233.11668	8.5
251.07501	0.3
251.12767	3.8
251.18413	0.6
268.06046	1.2
268.09573	1.1
344.19247	1.0
424.71957	0.3
430.10861	0.7
430.21359	1.2
431.13486	0.4
431.22324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70449	1.3
55.01869	6.9
55.05505	7.6
57.06837	1.4
57.07072	17.4
65.03928	2.2
65.20508	1.4
67.05486	18.9
68.04996	4.5
69.07058	16.8
70.06561	4.4
71.08618	30.4
71.79203	1.6
76.03986	2.5
79.05467	5.3
80.05004	2.1
81.03400	3.2
81.06590	2.1
81.07040	21.1
83.01321	1.6
83.04964	1.8
83.08601	6.0
83.60252	1.4
84.04477	2.6
85.02890	2.1
85.06516	1.7
85.10167	13.0
91.05434	3.7
93.03393	2.7
93.07011	6.9
94.02914	23.6
94.06540	5.5
95.04939	4.0
95.08597	25.2
96.04456	5.2
97.02863	3.4
97.06523	3.6
105.07010	5.3
107.08581	3.7
107.77303	1.6
108.04446	2.2
109.10153	2.5
110.06027	10.4
111.08056	1.4
119.08553	4.0
121.02866	2.8
122.02354	12.6
122.06010	20.3
123.04448	2.5
124.03926	5.9
127.03970	1.9
128.03479	3.6
131.08537	3.3
133.10152	1.7
134.06001	3.1
135.11688	2.8
136.03984	2.4
137.02295	1.7
137.08250	1.4
137.13245	3.7
138.05522	3.4
139.03867	1.7
142.04967	4.8
145.10075	1.7
147.11702	1.8
149.02325	3.6
149.90884	1.6
150.01817	4.0
150.05472	22.7
150.08873	1.3
152.03412	2.3
153.12704	7.1
154.04987	4.7
155.14275	6.6
166.04999	5.6
168.02882	15.7
168.06549	8.8
173.13264	2.1
176.03343	2.0
176.07123	1.6
178.04967	12.8
180.02888	1.7
182.04428	3.5
182.72258	1.4
184.06012	2.8
186.03964	1.6
192.02821	1.6
192.06500	2.0
193.04825	2.6
194.04439	3.8
196.02432	2.0
196.04207	1.8
196.06029	33.4
196.16927	3.6
202.15852	11.4
206.04410	3.9
209.15295	4.1
211.13126	2.5
212.01921	5.1
214.07132	5.4
220.16931	16.3
222.03993	2.9
223.09584	3.2
224.05513	4.5
230.06535	2.7
248.16426	4.1
248.20184	2.0
260.07571	10.0
266.17429	2.9
268.04535	2.0
273.58344	1.6
276.15897	18.3
286.05490	6.5
292.15799	1.8
294.16934	52.7
296.18500	2.6
301.14194	1.9
312.17953	15.1
322.16443	100.0
323.16861	3.3
324.18091	2.4
332.18555	4.8
338.15903	11.3
338.19611	3.0
344.19254	4.0
348.17795	2.1
350.19559	40.9
352.17477	2.4
366.19162	3.2
368.20572	6.8
376.17532	4.6
384.20068	7.8
394.18527	8.3
412.19595	54.1
412.25027	3.0
430.11908	4.8
430.20648	91.3
431.20963	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	430.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01848	0.9
55.05478	0.4
57.03411	1.4
61.02931	1.8
66.30668	0.3
67.05478	0.8
69.03417	4.1
69.07056	5.0
70.15523	2.0
71.04978	0.7
73.02903	3.2
79.05484	2.2
81.03407	2.2
81.07032	1.3
83.04956	0.9
85.02887	18.5
87.04429	0.5
91.03912	0.9
91.05442	3.3
93.07030	0.4
95.04929	1.0
95.08574	0.4
97.02878	5.7
97.06521	6.9
99.04435	1.0
103.05465	0.3
105.03366	0.9
105.06998	0.6
107.04971	0.4
107.08553	0.4
109.02853	1.6
109.06473	0.4
119.04932	2.6
121.02818	0.7
121.06513	0.4
123.04411	2.2
127.03895	4.1
130.53000	0.3
131.04874	0.4
131.08516	0.7
133.06499	0.6
136.05186	0.6
137.05952	22.4
145.04921	3.8
145.06400	0.7
147.04367	0.6
149.05888	0.9
151.07520	0.9
153.01759	0.7
153.05452	0.4
154.06174	0.8
159.07986	0.6
159.11673	0.4
160.05144	0.7
161.05933	0.6
163.03816	1.0
165.05429	4.2
173.06003	1.8
173.09613	0.5
175.07582	0.4
177.05455	0.4
179.06992	0.6
180.08606	1.4
181.04941	0.8
185.09621	0.4
186.06664	0.4
187.11108	0.8
189.09059	0.4
191.06996	19.5
192.07420	0.6
204.07820	0.9
205.08562	0.4
213.05409	0.5
215.07141	0.4
215.10654	5.6
233.11682	100.0
234.12035	2.6
251.12726	8.6
257.11786	0.6
268.09766	0.4
268.15643	0.5
275.12735	0.7
287.05435	19.1
341.13696	0.8
359.14819	1.8
377.16080	0.9
395.16699	0.8
430.21149	0.5
445.29282	0.3
447.14572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77871	0.4
69.03416	0.5
69.07051	0.6
69.97313	2.9
70.06575	1.1
71.04971	0.9
72.08122	1.1
81.03412	0.7
84.04481	0.7
84.08107	0.5
85.02886	1.0
86.17846	0.4
89.06010	1.8
91.05812	0.7
93.07011	1.6
97.02869	1.1
98.21346	0.7
99.04413	0.8
103.05441	6.1
107.04922	1.8
108.63161	0.4
108.89613	0.4
109.02800	0.7
120.08075	100.0
121.06483	4.0
121.08425	1.6
124.03914	0.9
131.04903	2.7
136.06143	1.5
137.05896	0.6
138.09106	1.5
142.34973	0.5
145.04938	0.9
148.06023	0.5
149.05956	1.9
163.03876	1.3
163.06000	0.5
166.08600	53.5
167.07007	0.5
167.09001	0.5
223.09549	0.6
224.09967	0.5
249.99225	0.6
279.10413	0.4
326.18091	0.6
344.19434	1.2
360.02591	0.7
377.45361	0.5
382.03595	0.7
429.26917	0.5
430.12616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.0
55.01836	0.5
57.07026	0.3
69.07044	0.3
71.78651	0.3
91.05441	1.2
95.04963	2.7
95.08572	0.3
103.05418	0.8
104.69549	0.3
105.03379	24.8
105.04454	0.8
105.06989	1.0
106.03649	0.5
115.05381	0.4
118.06502	0.4
121.10123	0.3
130.06516	1.3
132.08040	0.6
133.10023	0.3
148.07539	2.1
152.06166	2.0
153.06932	0.8
154.06488	1.5
160.07509	1.4
165.06956	4.3
166.07764	2.7
167.08549	4.3
168.05684	0.3
176.06207	0.8
177.06938	2.8
178.07675	2.1
179.08533	3.2
181.06445	1.2
181.10065	1.2
187.03833	0.3
189.06946	1.8
190.07782	2.4
191.08530	9.7
192.09064	0.5
193.06419	2.0
194.07249	6.4
195.07993	4.3
197.05891	0.5
202.07634	0.3
203.08464	0.4
204.05571	0.3
205.06458	4.8
206.07257	1.4
207.04643	0.3
207.08020	5.2
208.05359	0.3
208.08798	1.9
208.29980	0.3
209.05885	0.4
209.09592	4.2
210.06760	0.3
211.07539	0.6
217.06470	0.7
218.07240	1.5
219.08049	5.6
219.10150	0.4
220.05121	0.4
220.08789	0.4
221.05960	4.3
222.06741	15.4
223.07494	5.2
223.09564	0.4
225.05452	0.8
225.09145	0.5
226.09743	0.3
233.05894	2.6
234.06699	0.9
235.07591	2.6
236.08496	2.2
237.05415	0.6
237.09079	8.3
238.06204	0.6
238.09407	0.4
239.06999	4.4
240.07526	0.5
241.08592	3.9
247.07497	2.4
247.09958	0.8
249.05348	1.3
250.06180	3.3
250.08676	1.4
251.06996	14.5
252.07454	0.9
254.09244	0.6
255.10149	1.3
262.08588	0.6
263.06909	1.5
263.09372	0.4
264.07748	0.9
264.10214	0.6
265.08554	21.6
266.08862	2.3
267.06433	3.4
267.08905	2.3
268.07236	11.4
268.09711	2.2
269.07596	0.5
276.10110	0.7
278.08112	1.2
279.09100	1.0
280.11264	2.8
281.09616	2.4
282.08798	10.5
282.11298	5.0
283.09601	43.7
284.09995	2.0
291.09030	0.8
292.09442	1.4
293.10422	1.8
294.08011	0.5
294.11203	1.9
295.09445	0.6
296.09052	3.6
297.11243	16.4
298.11508	1.1
304.11121	1.2
305.11850	0.9
306.12582	0.4
307.09756	1.8
308.10519	14.1
309.11176	1.5
310.10614	3.3
311.11301	1.2
318.09219	0.3
319.10065	0.3
320.10553	0.6
322.08963	0.4
322.12317	3.4
323.12970	1.1
324.12320	6.6
325.09036	0.4
325.13080	7.4
326.11832	1.1
327.09946	0.9
332.10629	2.2
333.11368	1.5
334.12170	1.5
335.09509	0.6
336.10126	13.2
337.11044	3.6
338.12054	0.6
341.11539	1.5
344.19333	1.0
348.10062	0.8
349.10855	0.9
350.11743	8.7
351.12573	7.3
352.13138	0.6
353.11008	1.7
354.11218	69.6
355.11609	6.0
361.10806	0.4
362.11795	1.9
364.09760	0.4
367.12100	0.3
368.12698	0.9
369.10794	2.0
370.14343	1.0
378.11090	1.5
379.11993	24.6
380.12491	3.4
381.11133	1.5
382.10690	40.7
383.11169	3.0
386.11316	0.7
394.14334	0.4
396.12155	0.5
397.13040	40.9
398.13599	5.0
401.13751	0.9
412.15375	100.0
413.14648	8.8
414.13989	0.4
415.14282	0.6
430.16434	59.7
431.16730	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	430.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
55.01859	0.4
60.03130	0.3
69.03383	0.4
71.81190	0.3
73.01325	0.3
81.07021	0.5
91.05447	1.1
93.07005	0.5
95.04945	2.6
105.03365	23.6
105.06989	0.8
106.03656	0.4
107.31530	0.4
118.06520	0.5
121.02792	1.2
130.06473	1.2
141.06883	0.4
148.07524	1.4
149.02322	1.0
152.06181	1.6
153.06905	0.6
154.06416	1.2
160.07518	1.0
165.06952	4.3
166.07784	1.8
167.08539	3.5
176.06221	0.5
177.06929	1.6
178.07738	2.1
179.08548	2.4
181.06425	1.0
181.10060	1.8
181.12909	0.4
189.06931	1.3
190.07687	1.4
191.08528	7.8
193.04826	0.7
193.06439	1.4
194.05302	1.0
194.07187	5.2
195.08012	4.0
202.07721	0.4
205.06427	3.0
206.07216	1.3
207.08034	4.2
208.08849	1.7
209.09535	3.6
211.07640	0.6
217.06552	0.5
218.07234	1.0
219.08020	6.2
221.05934	3.4
222.06700	11.3
223.07487	4.8
224.08020	0.4
225.05444	0.8
233.05907	1.9
234.06639	0.9
235.07549	1.9
236.08560	1.6
237.05402	0.8
237.09081	8.4
239.06940	3.5
241.08545	2.7
247.07625	1.7
247.09702	0.6
249.05547	0.9
250.06174	3.1
250.08586	1.4
251.06979	12.8
251.09062	0.5
252.07372	1.0
253.08182	0.3
255.10097	1.0
263.06995	2.0
263.09396	0.6
264.07706	0.7
264.10181	0.8
265.08536	20.9
266.08514	1.8
267.06430	2.7
267.08939	1.9
268.07211	9.6
268.09692	2.8
276.10059	0.8
278.08145	1.4
279.09122	0.5
280.11154	2.2
281.09430	1.9
282.08774	8.5
282.11252	4.8
283.09567	38.2
284.09943	2.5
291.10251	0.5
292.09418	0.7
293.10248	1.3
294.07697	0.9
294.11136	1.7
296.09039	3.4
297.11172	14.9
298.11581	1.0
304.11136	1.5
305.11911	0.6
307.09854	1.3
308.10471	13.1
309.11020	1.7
310.10522	2.9
311.11398	1.9
320.10861	0.5
321.08853	0.4
322.12305	3.9
323.12997	1.1
324.12259	6.0
325.13058	6.3
326.11932	0.7
327.09961	0.7
332.10562	2.1
333.11432	1.1
334.12115	1.3
335.09387	0.7
336.10110	11.4
337.11069	3.2
341.11676	1.3
344.19220	0.6
348.10239	0.7
349.10895	0.6
350.11667	8.6
351.12494	6.4
352.13181	0.8
353.10638	1.6
354.11176	69.7
355.11542	5.0
362.11786	1.6
365.10538	0.4
368.12726	0.8
369.10715	2.2
370.14456	0.6
373.14182	0.5
378.11212	1.3
379.11951	26.1
380.12445	3.1
381.11197	1.4
382.10663	41.4
383.11127	2.9
386.10461	0.4
394.14209	0.5
397.12997	39.5
398.13672	3.8
401.13785	1.0
412.15338	100.0
413.15280	9.8
414.14111	0.5
430.16422	63.8
431.11630	0.6
431.16815	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	429.372
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03907	0.5
54.14656	0.5
55.05500	3.2
57.07067	16.6
59.70131	0.4
66.96175	0.5
67.05493	4.4
68.69249	0.5
69.07059	5.3
70.95653	1.5
71.08238	0.7
71.08614	12.1
79.05477	2.0
79.44065	0.5
81.07043	7.1
83.08610	2.7
85.10164	5.1
90.89670	0.5
91.05431	3.0
93.07038	2.3
95.04956	0.7
95.08595	7.2
97.10156	1.9
97.92342	0.5
98.63499	0.5
105.07040	2.3
107.08572	5.4
109.10155	5.7
111.04441	1.0
111.11684	1.2
117.06986	0.7
119.08565	3.5
121.06470	1.2
121.10114	4.3
122.07239	0.9
123.08044	1.0
123.11696	1.5
125.05978	0.7
131.08488	2.6
133.10115	1.5
135.08046	5.9
135.11655	1.8
136.08778	0.6
137.09589	9.7
137.13174	0.9
139.07492	1.6
139.50362	0.4
143.10986	0.6
145.10144	2.2
146.06995	0.5
147.08038	1.0
147.11711	0.6
149.09587	13.9
149.13200	0.9
151.07520	1.6
151.11258	0.7
151.14760	0.7
159.07968	0.7
159.11685	2.9
160.08800	0.8
161.09612	0.8
162.06718	1.1
163.07495	0.7
163.11156	22.1
165.09085	100.0
166.09399	1.5
173.09608	2.2
173.13222	1.9
175.07539	1.1
175.11183	5.8
176.08267	2.1
177.07524	0.7
177.09084	13.0
177.12621	2.6
179.10638	1.4
186.10358	0.9
187.11124	2.7
187.14844	0.7
189.09087	0.9
189.12706	2.4
190.09872	1.0
191.10634	10.2
191.14397	0.6
200.11906	0.6
201.12761	3.3
203.10654	1.6
203.14255	1.6
204.11351	1.0
205.08473	0.6
205.12173	10.6
215.14301	2.0
217.16028	0.4
219.13759	5.1
229.15880	1.1
233.15421	2.2
247.16937	2.2
261.18481	1.1
275.20059	1.2
289.21631	1.7
303.23193	1.5
317.24561	1.1
343.18973	0.5
345.27533	0.5
359.29407	1.1
361.19757	0.6
373.31049	1.3
401.34219	3.4
411.36130	2.2
429.37222	59.2
430.37659	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	429.372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43882	0.5
53.15366	0.5
55.05500	3.9
57.07066	16.4
62.85055	0.5
65.03903	0.5
67.05495	3.9
69.07059	5.6
69.55153	2.7
69.55585	2.2
71.08620	11.5
77.87350	0.5
79.05463	1.8
81.07038	7.6
83.04960	0.7
83.08596	3.2
85.10162	6.3
91.05460	2.3
93.07021	2.9
95.08595	7.5
97.10144	2.3
99.11700	0.6
105.06352	0.5
105.06992	2.8
107.08580	5.2
109.10135	6.7
111.04417	1.1
111.11689	1.7
119.08573	3.2
121.06496	0.9
121.10126	4.5
122.07257	0.9
123.08090	1.2
123.11695	1.9
125.05934	0.8
125.13264	0.5
129.07036	0.6
129.67471	0.6
131.08549	2.3
133.10085	1.9
135.08011	5.0
135.11697	2.8
137.05911	0.8
137.09581	9.5
139.07512	2.2
142.07892	0.5
143.08591	0.7
145.10089	2.0
147.11674	0.8
149.09583	16.2
149.13274	0.9
151.07509	1.1
158.10907	0.8
159.08022	1.3
159.11606	2.8
160.08797	1.0
161.09564	1.5
162.06723	1.3
163.11156	20.4
164.11557	0.7
165.09085	100.0
166.09447	2.3
172.08818	0.5
173.09605	2.1
173.13303	2.8
175.11157	6.3
176.08351	1.6
177.09079	11.3
177.12747	1.8
179.10617	1.3
186.10367	1.1
187.11145	2.4
187.14813	1.3
189.12755	1.6
190.09863	1.3
191.10649	10.4
200.11934	0.6
201.12683	3.1
203.10629	2.2
203.14279	1.2
204.11385	1.5
205.08676	0.6
205.12209	10.1
215.14348	1.6
219.13763	5.1
229.15857	1.2
233.15265	2.8
247.16945	0.7
261.18512	1.6
275.19952	0.7
289.21646	1.6
303.23193	2.1
317.24734	1.5
325.18146	0.7
331.26212	0.8
343.19083	1.9
345.27643	0.9
359.29282	1.1
361.19943	1.2
366.92712	0.6
373.30930	1.4
401.34058	2.0
411.36148	2.4
429.16785	1.6
429.37213	61.3
430.37607	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	429.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97594	1.1
55.05491	5.1
56.05021	3.1
56.25948	1.1
57.07069	26.7
62.38393	1.0
67.05499	8.5
68.05007	2.7
69.07050	3.8
69.63122	10.8
70.02937	5.0
70.06560	3.1
71.08627	11.4
71.41227	1.2
72.45144	1.1
74.02425	1.9
75.33647	1.1
79.05474	2.2
81.07040	8.5
83.08582	3.6
84.04492	1.6
85.10172	6.1
95.08589	13.8
96.04475	2.6
97.10135	1.9
98.21442	2.2
102.05538	9.6
103.05410	1.1
105.07023	38.2
109.10139	5.4
114.05532	3.4
115.05433	2.1
118.06495	2.3
120.81481	1.2
122.09653	18.9
129.07022	2.6
130.06509	40.5
132.04436	5.8
132.08060	10.7
142.06490	1.4
144.08046	5.9
146.05980	11.0
146.09636	4.4
148.07542	1.4
156.08087	20.8
157.07594	4.7
158.05997	69.1
158.09633	3.4
159.09140	8.4
160.07570	21.6
165.10066	1.2
166.06500	1.4
167.07269	3.7
168.08067	15.8
169.07591	70.0
170.05969	1.6
172.07578	2.9
173.08287	2.2
173.10773	2.3
174.09155	6.6
175.08670	4.8
182.08421	1.7
183.09158	28.4
183.17326	1.4
184.07565	18.9
184.09224	2.1
185.07072	37.2
185.10675	9.3
186.05443	1.3
186.09109	2.5
187.08612	2.8
188.07057	6.7
189.06883	1.7
190.07726	1.7
191.08524	2.1
193.04874	1.3
201.10204	73.6
202.08786	6.5
202.10388	2.2
203.08427	3.2
203.11748	1.5
204.06544	2.1
205.10014	1.4
207.08006	3.9
211.08603	5.3
212.07034	3.2
213.06589	13.3
218.07271	12.2
219.07993	6.4
221.09581	6.2
222.10527	1.4
223.09612	1.5
229.09692	42.3
230.08072	2.8
230.10173	2.4
231.07626	56.5
233.09583	25.5
234.10379	17.8
235.07521	20.0
236.08162	3.3
238.09969	1.4
247.10759	100.0
248.10910	2.1
250.09885	27.7
250.12250	3.8
265.12189	57.1
266.12534	3.9
282.14822	3.8
308.12946	5.6
316.77847	1.2
337.30310	1.3
338.24713	2.9
343.18924	2.8
356.25906	3.9
365.25720	2.8
367.27353	3.4
383.26910	5.7
394.23694	2.1
397.19366	1.3
411.26328	17.6
429.12070	2.4
429.21622	20.3
429.27380	87.6
430.21930	3.4
430.28012	3.3
439.36139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2743
Annotation	Palau'imide
Peak:m/z	Relative Intensity
53.03928	2.2
55.01865	1.5
55.05494	6.9
56.05018	5.4
57.03417	3.8
57.06786	1.6
57.07061	29.3
65.14919	0.9
66.24481	0.9
66.42075	1.1
67.05492	11.9
68.05010	5.0
69.03413	7.1
69.07053	6.1
70.06587	4.4
71.04976	1.6
71.08615	11.3
74.02424	1.5
79.05482	4.8
81.03401	18.8
81.07037	11.6
82.06552	1.1
83.04960	4.8
83.08619	6.7
84.04484	2.2
85.02885	4.1
85.06501	1.1
85.10155	6.0
91.05439	4.5
93.07020	2.8
94.06533	0.8
95.04932	4.9
95.08577	15.0
96.04496	1.6
97.02877	11.0
97.10149	3.0
98.06040	2.9
98.87222	0.9
99.04436	1.7
100.03979	2.6
102.05521	15.0
103.86646	0.9
105.07017	3.5
107.04906	1.0
107.08561	2.0
109.02845	4.0
109.10138	7.0
111.04408	1.6
111.08086	1.9
114.05499	4.4
115.05434	2.4
119.08575	2.6
120.02625	0.8
120.04494	1.5
121.10101	2.2
123.11681	2.1
127.03922	1.8
129.05431	1.2
129.06978	3.6
130.06502	48.3
131.08565	2.5
132.04402	8.8
132.08052	3.7
133.10095	1.3
134.06023	2.7
135.11670	1.2
144.08025	4.5
145.10074	1.9
146.05988	14.4
146.09557	1.9
147.08083	1.1
147.11679	2.5
148.07564	1.3
149.02335	1.2
149.09619	2.2
156.08060	10.9
157.07574	5.1
157.10092	2.3
158.05984	95.3
159.06523	1.4
160.07549	12.5
163.03912	1.1
165.12729	1.1
168.08083	7.3
169.07596	3.7
170.06018	1.4
172.07538	5.6
173.06003	1.9
173.08322	3.3
174.09079	4.5
175.08687	7.4
175.11154	2.7
176.07047	1.0
181.12155	1.0
183.06740	1.4
183.09161	11.6
183.17415	1.5
184.07581	9.5
185.07068	82.2
185.10556	4.9
186.05482	1.5
186.07504	1.8
187.08635	3.3
193.04907	1.6
193.12198	11.6
201.10194	62.5
202.08568	2.1
203.11873	1.0
204.06477	2.0
205.08585	3.5
210.18488	6.3
211.08708	1.7
211.13237	23.7
211.15131	1.6
213.06557	13.1
215.12447	1.0
215.42229	0.9
220.20560	1.1
223.09633	3.2
226.21696	1.7
227.12752	2.2
229.09685	42.7
229.14351	1.7
230.07991	2.6
231.07600	100.0
232.07990	1.2
236.19994	1.2
247.10738	56.1
249.14839	1.6
250.21796	1.2
282.20578	1.0
284.22308	2.4
285.16925	1.4
325.17828	2.5
338.24756	6.1
343.19055	6.6
355.17499	2.2
356.25772	10.8
361.19913	1.6
365.25949	3.3
367.27338	2.2
383.26544	5.1
394.23700	1.1
411.26306	21.5
429.12289	1.4
429.20911	19.9
429.27435	57.9
430.29364	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	429.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97996	0.8
55.05486	1.7
56.05026	2.3
57.06792	1.4
57.07064	20.8
64.72578	0.8
65.03906	2.9
67.05495	8.6
68.05005	2.1
69.07051	6.8
70.06561	4.0
71.08617	27.9
71.54605	2.4
74.02413	1.5
76.38341	0.9
78.84251	1.0
79.05456	2.5
80.18369	0.9
81.03365	1.4
81.04514	1.2
81.06610	1.1
81.07042	16.9
83.08562	1.1
84.04464	1.6
85.04824	1.0
85.06513	1.2
85.10163	14.5
86.59518	0.9
91.05397	1.7
93.07030	2.4
95.04934	3.2
95.07999	1.6
95.08586	20.2
96.04465	1.5
97.03992	2.3
99.00776	1.1
100.03948	1.3
102.05520	7.0
105.03368	15.4
105.06995	2.0
107.04942	2.6
107.08556	2.0
109.10078	1.1
111.04413	1.3
113.05971	1.3
114.05492	2.4
115.05443	1.4
119.08529	1.7
120.04432	2.3
120.08038	1.4
121.02840	34.3
121.06517	1.1
121.10059	2.6
122.03270	0.9
130.06497	25.1
132.04425	4.0
132.08066	7.2
133.10114	2.4
138.05472	1.8
144.08023	2.3
146.05930	3.8
146.09669	2.2
147.11693	1.1
148.03877	2.3
148.07504	1.9
149.02319	5.3
151.31966	1.1
152.06203	1.3
155.14290	6.8
156.06856	1.4
156.08026	8.0
157.07545	2.4
158.05989	44.1
158.09573	1.8
159.06474	1.2
159.09071	1.5
160.07555	8.4
163.11119	1.1
165.06941	1.9
166.06508	1.9
167.07242	2.1
167.08536	2.3
168.08034	8.2
169.07556	4.0
173.10709	2.8
174.09019	2.3
175.08571	2.6
177.06940	1.2
179.08475	2.5
183.09152	9.9
184.07539	14.2
185.07054	18.0
185.10657	4.1
186.05505	5.4
186.09146	1.5
188.07001	1.5
190.07663	1.4
191.08545	6.9
193.04921	6.1
193.06395	1.3
194.07170	4.2
195.07944	2.4
201.10199	39.6
202.08601	2.7
203.08151	6.1
203.11726	1.7
205.06393	3.3
205.08511	4.8
206.05713	1.4
207.07990	3.8
208.08670	1.5
209.09554	1.9
211.08636	6.6
213.06795	1.2
213.10156	3.0
218.07159	2.6
219.08051	6.5
221.05887	2.8
221.09558	2.1
222.06650	6.3
223.07428	3.0
223.09596	4.6
229.09705	23.6
230.08058	3.3
231.07603	3.5
231.09743	1.3
233.05899	2.3
233.09512	3.2
234.10362	9.4
235.07492	8.7
235.10759	1.1
236.08208	2.9
237.09200	5.9
239.06837	1.9
241.08524	1.2
247.07831	1.8
247.10745	14.8
250.06076	2.0
250.09895	15.1
251.06961	7.4
251.10448	2.4
254.17395	1.1
257.09161	64.0
258.09354	1.7
259.07095	3.1
265.08536	13.9
265.12137	26.9
266.12463	1.7
267.08859	1.9
268.07214	6.4
275.10211	100.0
276.10406	3.4
278.11404	1.3
279.10272	1.1
281.09430	1.1
282.08661	7.5
282.11252	2.1
283.09589	27.7
292.09927	1.3
294.11218	1.5
297.11218	10.1
308.10532	7.1
309.15930	37.0
310.10657	1.4
310.16132	2.5
322.12219	2.4
324.12180	2.2
325.12851	2.7
325.17877	4.4
336.10040	6.3
343.19073	10.8
350.11716	5.3
351.12381	4.4
354.11197	44.2
361.19919	4.3
369.10980	1.4
379.11954	16.3
382.10672	26.2
383.23093	1.3
385.08768	2.7
397.08179	1.3
397.13092	24.4
412.15372	76.9
413.13644	5.5
429.11459	4.6
429.18198	11.6
429.23654	85.6
429.77945	2.4
430.16492	50.3
430.23724	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10244	1.4
53.03936	10.6
55.01858	4.1
55.05495	12.3
57.03430	18.1
58.00889	1.9
67.05493	16.2
69.03414	31.5
69.07059	10.2
71.01334	1.7
71.04992	8.0
71.08630	2.0
73.02913	3.0
79.05483	12.0
81.03403	82.4
81.07047	19.9
83.04967	22.9
83.08598	21.8
85.02886	26.3
87.04468	2.3
87.95037	1.7
89.57526	1.7
91.05447	18.0
93.07047	10.7
95.04953	19.9
95.08583	9.7
97.02877	52.7
97.06518	4.4
97.10139	3.9
99.04440	6.1
103.03885	1.7
105.07021	15.3
107.04941	4.4
107.08578	8.0
109.02849	12.7
109.06510	2.5
109.10146	4.1
111.03756	1.8
111.04401	9.8
111.08051	8.3
115.05440	1.8
119.08567	12.3
121.06509	2.6
121.10130	8.9
122.05721	1.9
123.08094	2.8
123.11659	1.9
123.71198	1.8
125.09655	1.8
127.03915	13.2
129.05443	6.2
129.07007	9.5
131.08553	7.9
133.06461	2.4
133.10118	6.6
135.08049	2.5
135.11623	3.8
137.05917	1.7
137.09612	2.1
142.07771	1.9
145.10057	4.1
147.08002	2.5
147.11662	14.9
149.09624	7.0
153.38295	1.7
157.10104	11.5
163.03880	3.2
163.11137	4.2
165.09079	3.4
173.09624	1.9
175.11101	11.4
181.12158	2.4
183.06581	2.6
188.37453	1.9
191.10696	3.5
193.12210	55.6
193.13963	2.8
205.08575	6.1
209.11507	1.8
211.13252	100.0
213.05368	1.8
223.09595	6.6
227.12767	6.1
229.14317	5.7
230.24768	2.4
231.61095	1.7
249.14890	7.3
265.14334	2.1
267.15897	1.8
285.16980	11.9
293.13538	1.7
325.17950	4.1
343.18912	14.9
355.17615	7.8
361.20041	6.1
361.32825	2.4
376.25546	2.0
393.24539	2.2
411.19946	4.0
411.25156	1.7
429.21365	94.0
429.27832	15.8
429.34241	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	429.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86009	1.2
53.03943	7.3
55.01870	3.0
55.05510	12.4
57.03421	16.4
57.07064	1.6
61.02911	2.0
67.05500	13.4
69.03416	33.3
69.07055	8.3
70.87205	4.6
71.04990	8.6
73.02921	3.4
77.21758	1.1
79.05481	11.4
81.03401	82.9
81.07043	18.8
83.01332	3.0
83.04966	18.8
83.08607	18.0
85.02891	21.4
87.04442	2.8
91.05447	15.9
93.07038	7.9
95.04955	18.5
95.08584	9.3
97.02876	50.9
97.06528	5.2
97.10175	3.1
99.04457	6.3
105.07018	16.4
107.04942	3.5
107.08564	8.5
108.08832	1.5
109.02846	15.2
109.06528	1.6
109.10134	4.1
111.04427	8.6
111.08075	10.4
117.07045	1.4
117.08044	1.4
117.58430	1.3
119.04807	1.5
119.08556	12.7
121.06508	1.7
121.10149	8.3
123.11712	2.2
127.03905	12.2
129.05501	5.1
129.06966	6.9
131.08507	8.2
133.06508	1.7
133.10100	7.3
135.11700	2.2
137.09579	2.2
142.07741	2.1
145.10123	2.8
147.08035	2.7
147.11647	15.5
149.09564	6.8
157.10086	10.2
163.03824	1.8
163.11234	4.4
165.09148	1.7
165.12793	4.3
175.11183	12.8
181.12212	2.0
188.96602	1.4
191.10724	3.4
193.12204	53.1
194.12703	1.5
197.66992	1.5
205.08577	6.7
207.60757	1.8
211.13254	100.0
212.13617	1.7
223.09666	8.1
227.12785	6.7
229.14421	3.8
249.14938	5.9
285.16953	8.0
289.14139	1.5
301.14221	1.6
307.17151	1.9
325.18121	5.0
343.19000	18.8
355.17496	5.3
361.20102	7.4
375.23215	1.8
393.24216	1.8
411.20050	2.5
411.25055	2.9
428.34967	1.6
429.21234	88.5
429.27707	6.6
429.35910	6.3
430.21344	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64507	1.1
53.03933	1.4
55.01852	1.6
55.05497	9.3
57.03412	4.2
57.07056	3.7
57.38585	0.9
57.87762	0.9
61.55550	0.9
67.05491	13.2
68.10941	0.8
69.03409	3.8
69.07060	7.5
71.04962	2.4
71.08601	2.6
72.95102	0.8
77.02497	0.8
79.05479	7.6
81.03407	26.1
81.07049	15.6
83.04975	9.0
83.08605	8.9
85.02889	3.0
85.10139	2.0
88.07600	2.2
91.05470	9.3
91.36951	0.9
93.07034	6.9
95.04949	9.0
95.08589	9.7
97.02859	3.3
97.06499	1.6
97.10143	2.2
98.37819	0.9
102.09167	1.0
105.06981	7.4
107.04911	2.8
107.08544	2.6
109.06513	2.1
109.10115	4.3
111.04402	0.9
111.08078	4.4
117.06996	1.6
119.08561	6.5
120.24395	1.0
121.06483	1.7
121.10127	2.7
123.08054	1.9
125.09757	0.9
129.07002	4.4
131.08528	3.9
133.10094	6.9
134.10292	0.9
135.43484	0.9
139.04160	1.3
142.07706	1.2
147.11667	3.9
149.09599	3.2
157.10120	5.4
163.03838	1.1
165.09111	1.3
165.12721	1.5
175.11188	6.5
183.17416	9.0
193.05052	1.2
193.12202	33.1
200.20078	3.2
205.08490	1.8
211.13258	100.0
212.13533	0.9
213.31586	0.8
223.09567	1.9
229.14252	1.8
249.14847	0.9
255.23120	3.7
271.15439	2.0
325.32965	1.2
343.18979	4.0
361.19766	1.4
428.35367	2.7
428.40964	8.6
429.20114	5.5
429.26291	1.1
429.31866	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89435	0.2
53.03942	0.3
55.01841	0.3
57.03415	0.9
61.02891	0.7
61.89166	0.2
62.60336	0.2
69.03425	3.0
69.56329	1.1
69.56760	1.1
72.25245	0.2
73.02892	0.4
81.03410	1.1
85.02893	9.3
87.04430	0.7
97.02862	1.7
99.04430	0.6
99.06284	0.2
103.03934	0.4
109.02858	0.7
127.03902	1.7
145.04935	0.9
149.13243	0.2
167.07251	1.1
181.06509	0.2
195.06750	2.8
196.07558	0.6
199.06126	0.3
210.05391	0.3
210.09340	0.3
222.05539	0.3
223.06215	1.2
234.05458	0.5
236.07018	0.5
248.07037	0.4
251.05737	56.1
252.03673	0.3
252.06099	2.1
264.06561	1.2
266.08075	100.0
267.08423	4.1
275.05667	0.3
287.18445	0.5
290.08087	0.6
308.09061	2.2
320.09204	0.4
323.05170	0.3
408.57675	0.3
428.13324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
54.78045	0.3
55.01855	0.5
55.05489	1.3
57.07063	2.4
65.03923	0.4
67.05486	3.7
69.07057	1.6
71.08627	2.7
71.10385	0.3
71.10710	0.7
79.05481	1.7
80.91924	0.3
81.03405	0.3
81.07032	2.7
82.08450	0.3
83.08625	0.3
84.80380	0.3
85.10153	1.4
91.05424	1.5
93.07015	1.3
94.06556	0.4
95.04931	0.8
95.08585	2.2
95.73740	0.3
97.02854	0.4
98.93648	0.3
103.05452	1.3
105.03377	0.4
105.07001	1.4
106.06519	0.5
107.08527	0.4
108.08090	0.4
109.10133	0.9
115.05424	0.7
117.05727	1.9
117.07014	0.4
118.06499	0.9
120.08089	3.9
123.06770	0.3
130.06522	1.7
131.04930	0.6
131.07289	0.6
132.08072	3.8
133.05202	3.4
133.10031	0.4
134.05962	0.5
136.07542	1.2
137.08371	0.5
144.08051	1.3
145.06598	0.3
146.05994	1.2
147.06755	8.8
147.07936	0.4
148.07547	38.9
149.02365	0.3
149.07930	0.7
150.05539	2.0
150.09081	2.3
158.06082	0.5
160.07529	4.3
161.08345	1.4
162.09073	1.0
164.06970	0.5
166.08636	1.6
170.09622	1.4
172.07520	0.5
173.08333	0.3
174.05501	0.7
174.09122	1.3
175.06258	2.8
175.09833	0.9
176.07036	19.7
177.07602	0.7
178.08586	1.4
186.05421	0.6
186.09155	1.6
188.07033	5.8
189.07713	0.7
190.08557	1.7
193.04967	0.8
194.08122	2.2
198.09096	1.3
200.07141	0.4
200.10727	0.7
202.08641	1.3
203.05725	0.5
203.09346	0.8
204.06499	3.7
204.10201	0.8
206.08096	1.1
210.09142	0.5
212.10657	0.5
214.08585	2.6
214.12227	0.3
216.10167	0.6
218.08089	1.1
220.05914	0.4
220.99655	0.4
226.12218	0.3
228.10144	0.8
228.13852	0.5
239.26407	0.3
246.05254	1.2
272.20361	0.3
274.04669	7.6
274.21530	1.0
284.19995	1.0
302.21091	8.7
303.21207	0.4
312.19531	4.5
330.20578	10.5
331.20938	0.5
334.03101	0.3
348.21631	1.5
380.78888	0.3
384.55972	0.4
410.17172	2.0
428.18262	100.0
429.13913	0.6
429.18866	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	427.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57804	0.4
53.03923	0.6
55.05273	0.6
55.05505	7.9
57.07068	4.8
67.05488	4.4
69.07056	27.1
69.78285	3.2
70.07369	0.6
71.04961	0.4
71.08613	2.8
74.56950	0.6
79.05466	1.6
79.55853	0.5
79.70296	0.4
81.07038	8.3
83.01328	0.5
83.04964	1.0
83.08101	0.6
83.08605	11.4
85.10173	0.8
91.05450	1.9
93.07027	3.1
95.08586	6.9
97.10149	6.1
98.21429	0.6
105.07029	2.4
107.08541	3.5
109.06425	0.5
109.10133	5.8
111.11725	3.1
114.23478	0.5
117.23931	0.5
119.08554	3.0
121.10096	2.7
122.07275	0.6
123.08067	0.7
123.11681	1.7
124.11993	0.4
125.05984	0.7
125.13238	1.3
128.12552	0.4
131.08505	1.0
133.10085	1.8
134.10446	0.6
135.08008	2.7
135.11662	1.6
137.05916	0.9
137.09593	7.4
137.13229	1.4
139.07532	1.3
145.10056	1.4
147.11662	1.0
149.09589	9.4
149.13240	0.8
151.07535	1.5
151.14789	0.7
157.10204	0.6
159.11696	1.1
161.09584	0.9
163.07512	1.1
163.11163	6.3
165.09088	100.0
166.09412	1.3
167.07019	2.2
173.09605	1.3
173.13260	0.6
175.07506	1.3
175.11159	2.5
176.08319	1.0
177.09073	6.3
177.12633	1.0
179.10640	1.6
185.13120	0.5
187.11160	1.7
187.14827	0.8
189.09131	2.6
189.12714	1.2
190.09856	1.0
191.10669	8.0
193.12303	0.5
201.12666	1.1
202.09804	0.5
203.10640	7.4
203.14320	1.6
204.11314	1.0
205.12187	10.6
215.14294	1.0
217.12192	1.0
217.15771	0.7
219.13800	2.9
229.12279	0.5
231.13785	1.8
233.15213	1.0
245.15341	1.0
247.16859	0.8
275.20074	1.1
289.21603	0.9
301.21567	0.6
314.41962	0.5
317.25031	0.9
331.26035	0.5
332.30185	0.5
345.27893	2.0
346.04672	0.5
371.29495	0.7
390.17557	0.5
399.32239	1.2
409.34497	0.8
412.33054	0.6
427.15305	0.8
427.30545	0.7
427.35684	13.4
428.36047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
57.05803	0.5
57.07058	1.3
66.30331	0.3
67.05489	0.5
67.22578	0.3
69.07061	5.9
71.01575	1.1
71.08610	0.3
73.06552	1.5
80.00434	0.3
81.03401	0.4
81.07038	0.6
83.04956	0.4
83.08623	0.3
84.08123	0.5
86.09689	100.0
87.10027	0.8
91.05470	0.3
93.07030	0.8
95.08607	0.9
105.03410	0.5
107.08578	0.5
109.10163	0.5
112.07590	1.1
118.08662	0.4
119.08581	0.7
121.02866	0.6
127.81258	0.3
128.90492	0.3
137.05943	0.3
147.11664	0.4
168.13817	1.2
186.14859	74.3
187.15224	1.4
214.14334	28.4
215.14636	0.6
221.66298	0.3
237.11417	0.4
299.23291	0.5
314.19559	15.0
315.19846	0.7
327.22748	0.6
399.28430	11.0
427.28571	1.7
428.27817	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73798	1.2
55.05494	8.7
56.87370	1.2
57.07074	7.5
62.32530	1.2
65.03920	1.2
67.05484	5.8
69.07050	15.0
69.62796	2.0
69.63197	10.0
71.08616	2.9
79.05451	1.8
81.03387	2.3
81.07036	11.6
83.04950	2.1
83.08598	12.7
85.10119	1.5
91.05450	2.8
93.07029	4.9
95.08578	7.0
97.10139	6.3
98.21488	2.7
105.07007	1.9
107.08538	4.4
109.10118	6.4
111.11633	2.5
113.11841	1.2
119.08566	3.9
122.07311	1.4
123.11658	2.9
131.08539	1.6
133.10046	2.0
135.08020	2.3
135.11659	2.7
137.09572	10.9
139.07497	1.3
145.10118	1.5
145.32631	1.2
149.09584	7.8
149.13263	2.1
151.07584	1.5
151.14774	1.4
151.51416	1.3
159.11609	2.1
161.09541	1.5
163.07439	2.4
163.11133	5.3
165.09091	100.0
166.09421	1.9
173.09654	2.2
175.07640	3.1
175.11203	2.1
176.08186	1.3
177.09064	4.8
179.10646	2.7
185.13243	1.6
189.09084	2.0
189.12744	1.6
191.10643	5.7
203.10648	3.9
205.12184	13.2
208.81158	1.4
217.12207	2.8
231.13857	3.4
286.73730	1.2
287.16470	1.8
306.56567	1.3
427.19699	2.4
427.30325	2.6
427.35626	10.7
428.16016	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05523	0.7
56.83521	0.7
57.07055	1.4
64.31281	0.7
67.05492	1.0
69.07063	1.2
69.65926	5.6
71.08615	1.7
74.09692	0.8
79.05490	0.8
80.44204	0.7
81.07046	1.8
85.02853	1.1
85.10201	1.1
86.29475	0.6
93.07021	1.4
93.64737	0.7
95.08587	1.7
98.21391	1.6
105.07020	0.8
109.10140	0.8
121.02846	4.4
122.03304	0.7
124.30373	0.7
135.08067	1.1
139.11208	0.8
155.04449	1.1
155.10603	0.8
155.14264	0.8
164.03473	0.8
165.05423	0.7
177.01591	2.1
177.09041	0.7
179.03479	0.7
196.05965	1.0
197.04543	0.9
203.12738	1.2
229.03217	1.6
237.11147	0.8
250.17982	0.9
255.04834	2.2
256.08258	2.5
257.02716	2.8
291.07544	1.2
293.94775	0.7
307.10733	2.8
330.15259	0.7
363.17780	0.8
367.17416	2.4
376.05341	0.9
381.18976	1.1
395.16815	1.0
409.18320	19.8
427.19360	100.0
428.19312	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	427.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.7
57.48572	1.1
61.57066	1.0
67.05470	1.4
69.92353	8.2
70.06584	2.3
85.02882	4.6
86.03228	1.1
86.09673	1.3
97.02877	2.8
98.03197	1.8
98.97585	6.3
103.03929	4.5
109.02850	2.5
112.02460	1.1
116.98608	3.5
127.03894	5.3
128.04237	3.4
134.99663	1.5
145.04897	2.9
163.05965	2.6
164.06279	1.9
265.11310	1.3
283.11984	3.0
295.05984	1.2
307.12170	1.9
323.78928	1.2
325.13272	2.5
340.87054	1.2
358.77603	1.2
409.09192	1.8
427.17184	100.0
428.17453	6.7
445.17328	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56765	0.5
55.01860	0.5
55.05499	0.7
57.01844	0.8
57.07061	0.8
67.05488	0.9
69.07049	0.7
69.91319	3.7
71.08626	1.2
74.09696	1.3
79.05448	0.6
81.07039	1.1
82.26091	0.5
85.06507	0.5
89.40508	0.5
95.08591	1.3
98.20740	0.9
105.07024	1.3
109.10112	0.5
121.10115	0.6
136.86766	0.6
144.05692	0.7
177.05464	0.8
201.05222	1.8
205.08470	0.9
213.08836	0.6
216.07556	17.6
217.08226	1.9
227.66536	0.6
229.03154	1.0
233.08174	1.0
233.72853	0.6
295.09338	0.6
367.17059	1.3
409.18298	12.8
427.19446	100.0
428.19244	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	426.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62597	0.5
57.03447	0.7
65.97285	0.6
67.05489	0.7
69.07033	0.9
69.52074	1.3
69.52489	5.6
79.05489	0.8
81.07046	1.3
82.43515	0.7
85.10139	0.7
91.05476	2.6
93.07027	1.4
95.04935	1.2
95.08633	0.7
105.07027	2.9
109.06501	2.1
112.11156	0.7
119.04924	3.5
121.06450	1.1
122.03615	2.0
133.06447	1.7
137.05948	100.0
138.06293	1.7
147.04382	8.5
151.07547	4.6
153.05440	1.8
161.09561	3.1
163.03880	0.9
168.86176	0.8
178.06221	1.3
179.07016	7.2
193.08528	1.8
206.05608	1.2
211.09612	86.2
212.10007	1.9
220.03519	0.6
221.08017	3.9
239.09122	0.9
258.79199	0.7
396.25601	0.6
413.73996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04542	0.5
69.03395	0.2
69.50393	2.2
70.06562	0.4
80.61217	0.2
84.08136	0.2
85.02873	0.4
94.04044	1.2
96.05562	0.2
97.02846	0.2
98.03233	0.2
98.21451	0.4
108.04359	0.2
119.03572	0.2
123.04404	0.8
123.06661	0.8
127.03857	0.3
133.05069	0.4
135.04382	0.3
135.05406	0.3
139.03879	1.1
147.04361	0.3
150.07722	100.0
150.42041	0.2
151.08160	1.2
191.03410	0.4
203.03398	0.3
225.57326	0.2
247.05989	0.3
257.04382	0.3
275.05521	0.3
282.11923	0.9
287.05475	0.7
295.11450	25.1
296.11636	0.7
297.05798	0.2
301.07120	0.3
409.09116	0.5
427.16425	0.2
427.19168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
57.03413	2.7
61.02905	3.0
69.03422	9.9
69.07049	1.0
70.71816	1.6
70.72211	2.3
71.04977	3.0
73.02891	2.4
79.12332	0.9
81.03397	12.4
81.07043	1.2
83.04967	1.0
85.02892	66.0
87.04463	0.9
91.03920	0.9
97.02876	20.1
97.06503	1.5
98.94141	0.9
99.04439	38.2
103.03926	86.6
104.04215	1.1
109.02869	13.1
120.08084	6.4
127.03896	100.0
128.04236	1.1
136.23647	1.0
145.04941	54.2
147.04437	1.0
163.05995	54.6
187.06038	5.3
205.07076	3.5
222.31259	0.9
253.06920	1.1
271.08078	7.0
289.09088	6.7
289.16156	1.0
307.10208	10.9
391.19473	1.7
428.09286	1.0
432.96466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.4
57.07068	77.8
67.05490	41.9
69.06779	2.9
69.07061	29.5
69.61012	39.3
71.04975	8.9
71.08619	84.9
74.09718	3.8
76.12648	3.9
79.05476	4.6
81.07039	90.9
83.08607	14.2
85.10163	47.4
89.06026	6.3
91.05447	7.1
93.07043	15.3
95.07997	5.0
95.08595	100.0
97.10146	9.5
98.21467	6.9
99.04443	29.4
105.07013	16.3
107.08572	17.7
109.10133	43.9
119.08601	11.0
121.10131	19.6
123.11687	13.0
124.70255	3.3
127.11150	4.7
131.53851	3.1
133.10104	11.1
135.11621	8.4
137.13272	17.8
145.10071	4.2
147.11655	7.9
149.13220	9.0
155.14290	66.2
159.11591	5.0
161.13264	8.7
163.14812	3.8
175.14777	5.0
177.16350	5.9
183.17383	24.6
187.14824	6.5
189.16550	3.7
193.15833	3.8
203.17888	5.8
211.16768	7.9
225.18491	4.9
239.20021	12.7
253.17961	10.4
281.20981	6.5
357.20520	10.3
389.33783	5.2
393.33408	41.3
425.38248	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	425.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
55.05502	0.2
57.07052	1.0
58.99569	0.8
63.22843	0.2
67.05485	0.9
69.03426	0.3
69.07053	0.6
69.47098	1.9
70.02925	0.3
70.06577	0.4
71.06100	16.4
72.04506	2.2
73.02898	0.9
74.00627	0.2
76.02219	2.1
77.00613	14.8
78.03777	0.2
79.05480	0.4
81.03390	0.3
81.07035	0.4
82.06561	0.2
83.04984	0.4
83.06100	0.3
84.04486	1.7
85.02876	0.7
85.06505	0.8
86.06049	2.1
86.09692	0.5
86.70814	0.2
87.08092	0.3
88.02197	0.5
91.05483	0.6
92.98298	0.2
93.07011	0.3
95.04960	1.1
95.08601	0.2
96.08109	0.2
97.02879	0.2
98.02391	0.6
98.06032	0.6
98.17301	0.2
99.05544	0.8
99.08083	0.2
100.03929	0.2
100.07579	0.7
101.05960	0.2
101.07126	0.2
102.03738	0.8
103.03271	0.3
105.03378	0.2
105.07000	0.4
107.08546	0.4
107.99378	4.0
109.02804	0.2
110.06047	0.4
112.07587	0.4
113.05968	1.0
113.07083	0.5
114.03727	0.5
114.05511	1.0
115.08670	1.0
116.03421	0.6
116.09479	0.3
118.03215	51.9
119.03535	0.8
119.04900	0.4
119.08553	0.2
121.06488	0.2
123.04408	0.7
124.07555	1.3
124.47149	0.2
125.07066	0.2
125.08391	0.9
126.09138	0.2
127.03888	0.7
130.03197	21.2
130.08630	0.7
131.03600	0.3
131.06343	0.7
131.07166	0.2
132.04753	0.7
137.02301	0.2
142.08607	3.8
143.08131	0.4
145.09964	0.2
147.05836	100.0
148.06139	1.4
149.07397	2.5
150.00407	1.6
153.05197	0.3
157.04297	0.3
157.10963	0.6
159.05788	1.0
160.09676	0.3
162.00446	1.0
166.08585	0.3
173.03749	0.9
173.09428	0.2
175.05348	1.4
178.08469	0.2
180.03841	0.3
181.04601	0.3
183.01099	0.2
183.11288	0.5
184.09659	2.4
189.05347	0.2
189.06903	0.7
191.06854	0.2
195.06229	1.8
201.07100	0.2
202.10692	0.6
207.06168	3.6
207.14143	0.2
213.12378	0.6
216.39720	0.2
217.07597	0.2
218.09666	0.2
221.11600	0.2
224.08806	5.8
228.08003	0.3
237.07199	1.3
245.11829	0.4
248.08838	0.6
249.07176	1.3
259.11163	1.1
260.08893	0.2
261.07364	0.4
261.12631	0.7
263.13864	0.3
266.09875	5.3
277.12042	0.5
278.09875	16.1
279.10239	0.6
287.05478	0.4
292.09113	0.2
295.12509	90.6
296.12744	3.6
305.10986	1.4
305.14911	0.7
310.09760	0.6
321.17798	0.2
323.19955	0.2
336.14026	0.4
339.19476	0.3
357.20413	0.4
367.22235	0.2
378.15015	0.3
389.16760	0.3
390.14987	0.5
407.17728	12.9
408.17999	0.6
425.18774	32.7
426.18979	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2842
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
51.02366	0.5
53.03925	1.1
53.83483	0.2
55.05504	0.3
57.88815	0.3
67.05488	0.4
69.07056	0.2
71.28577	0.5
71.28928	0.3
78.03024	0.3
79.05482	19.3
91.05470	0.8
93.05759	0.6
93.07040	2.1
95.04951	2.0
95.08614	0.4
103.05453	49.7
104.05761	0.6
105.07023	3.0
107.04940	23.1
107.07319	1.0
107.08556	0.4
108.04490	0.4
108.05270	0.5
109.10113	0.4
120.08105	0.4
121.06483	2.3
122.06024	0.4
122.09667	1.0
131.04907	16.3
132.05263	0.5
132.08118	0.5
134.05992	1.0
135.06750	0.4
148.07544	1.2
149.05988	1.1
162.09138	1.1
164.10677	1.7
234.18565	0.8
234.22116	0.9
258.22125	0.4
276.23184	33.8
277.23495	1.5
294.06384	0.4
304.26416	0.6
306.46402	0.3
357.20337	0.4
364.24661	0.6
424.28381	100.0
425.28717	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	424.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03047	0.5
55.05492	1.5
56.05026	1.2
57.07071	7.8
61.35601	0.5
67.05488	1.9
69.07051	1.0
69.53659	6.0
70.06583	3.5
71.08612	3.7
72.04500	1.5
74.06024	0.5
75.18316	0.5
81.07028	1.1
82.06561	0.6
83.08590	0.6
84.08112	0.6
85.10191	2.9
85.10600	0.6
86.83089	0.5
88.07620	5.1
89.06008	5.3
95.08584	2.5
96.13279	0.5
98.06034	0.8
100.07606	0.8
102.09174	1.6
109.10155	1.0
122.60254	0.5
126.09137	0.6
131.37283	0.5
133.08551	2.5
148.58022	0.6
177.11182	1.2
212.23651	0.7
213.18454	2.1
238.21669	0.7
239.14825	5.6
240.23222	4.5
242.21124	1.2
254.24820	0.8
256.22696	7.3
256.26260	4.2
357.20425	0.8
406.40366	1.1
424.41431	100.0
425.41760	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	424.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.5
57.03421	1.1
67.05478	1.3
69.03401	2.6
69.07035	2.6
71.04972	2.1
71.47094	0.7
71.47415	0.9
78.23190	0.7
79.05457	0.9
81.03386	1.2
81.07029	3.3
83.04961	8.0
83.08601	10.4
85.02889	6.5
85.06513	2.6
86.09686	0.7
91.05454	2.0
93.07028	4.3
95.04948	39.3
95.08597	1.8
97.02877	1.2
97.06493	2.0
97.10156	1.3
98.97597	0.7
99.04436	14.6
99.08072	2.0
102.03748	0.8
103.03926	4.5
105.06994	2.8
107.08565	6.6
109.02863	1.5
109.06506	2.1
109.10136	5.9
111.08051	3.0
119.08542	1.6
121.10138	10.4
122.00812	0.7
123.08022	1.1
123.11653	2.3
125.09578	2.2
127.03916	5.4
127.07501	0.8
131.08502	1.5
132.10172	0.9
133.10069	6.0
135.08026	1.1
135.11674	1.2
136.07603	1.5
139.11244	1.1
145.04922	2.9
147.04391	1.0
147.11662	2.2
149.07332	1.0
149.13239	1.4
151.11134	13.9
151.12265	1.2
153.09073	15.0
163.05975	2.3
163.14790	1.6
165.12779	1.1
167.14281	17.7
173.13211	5.1
191.14259	6.2
209.15331	100.0
210.15704	3.4
225.72366	0.7
227.16364	14.0
240.80486	0.7
264.84796	0.7
294.11856	2.0
295.11795	1.3
371.20685	1.5
406.17410	0.8
418.02481	0.8
425.08533	1.5
425.14038	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	424.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51814	1.3
55.01848	1.7
55.05497	12.9
57.07055	1.4
59.04999	2.2
62.06073	2.0
64.27827	1.3
67.05496	3.4
69.03418	3.3
69.07050	4.4
69.97371	7.8
79.05494	2.9
81.07049	5.7
83.04959	6.7
83.08609	8.7
85.02899	5.4
85.06551	1.7
93.07036	8.8
95.04953	6.4
95.08606	2.9
97.02818	1.7
97.06535	3.4
97.10173	2.4
99.04445	2.9
105.06989	3.3
107.08573	14.8
109.06505	4.3
109.10133	7.7
111.08029	3.1
115.07517	7.4
119.08538	3.6
121.10122	38.1
121.10954	2.7
123.11658	2.4
125.09646	3.8
133.10115	6.4
135.08032	1.6
135.11679	3.9
147.04306	2.4
147.11690	4.5
149.13284	3.4
151.11168	15.3
153.09085	5.1
163.14824	11.8
167.14268	16.6
167.91576	1.4
173.13261	8.0
175.14900	1.9
184.69398	1.4
191.14249	14.4
209.15332	100.0
210.15663	2.8
227.16376	11.9
306.41534	1.6
314.54401	1.6
354.71600	1.4
389.53818	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.5
57.03432	2.2
59.04990	1.5
64.18145	1.6
67.05491	2.9
69.03411	2.9
69.07049	7.1
71.04993	3.5
71.13223	3.3
79.05485	2.6
79.63300	1.3
81.07034	7.5
83.04961	9.5
83.08619	8.9
85.02896	8.9
85.06563	3.3
86.76501	1.4
91.03938	1.6
91.05481	3.2
93.07015	9.4
95.04951	31.0
95.08628	7.1
97.02872	1.5
97.06520	14.4
97.10138	1.8
99.04439	8.6
99.08080	2.2
103.50914	1.5
105.07010	12.6
107.08565	15.7
109.06516	13.4
109.10140	9.8
111.08079	5.1
115.07556	20.0
119.08556	6.6
121.10125	25.1
122.09650	2.7
123.08060	1.8
123.11678	2.8
125.09615	4.1
131.08566	4.8
133.10098	22.5
135.08037	3.5
139.11188	1.4
145.04997	1.9
145.10094	2.1
147.11679	11.0
149.13225	4.8
151.11168	12.9
153.09077	19.4
163.14857	7.2
165.12721	1.9
167.14270	16.1
173.13251	19.6
175.14825	3.5
189.07068	1.6
189.44785	1.4
191.14276	21.9
209.15338	100.0
210.15681	2.7
227.16386	51.3
227.18651	2.5
249.21410	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.05514	5.2
57.03412	1.6
61.02914	3.1
67.05491	1.2
69.03419	12.8
70.94907	1.3
70.95238	2.2
71.04967	3.7
73.02893	2.0
75.20780	1.0
81.03409	10.7
81.07045	1.6
83.04987	1.2
83.08626	6.0
85.02890	65.6
87.04453	1.1
88.00060	1.1
91.05488	1.9
93.07018	1.5
97.02876	20.5
99.04436	36.8
103.03925	95.2
104.04259	2.3
105.06996	2.0
107.04917	1.0
109.02847	15.2
115.03932	1.3
121.06477	1.2
121.10105	1.1
127.03892	100.0
128.04231	2.0
145.04939	57.4
163.05997	60.5
164.06331	1.2
187.06000	5.0
205.07043	3.8
209.11845	1.4
227.12787	2.2
271.08084	6.7
272.06323	1.1
289.09070	5.5
307.10126	12.6
327.10880	1.7
425.08243	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92238	0.6
53.03930	3.8
55.01843	1.0
55.05497	1.6
55.15221	0.7
57.03413	1.6
58.39120	0.6
61.02911	3.3
69.03415	10.6
69.07045	0.8
70.41003	3.6
71.04988	4.5
73.02921	3.3
81.03404	13.6
83.04942	0.8
83.08554	0.8
83.95128	0.7
85.02890	66.8
87.04450	1.5
91.05476	0.8
93.07011	0.8
97.02875	25.2
98.03235	0.7
99.04436	39.3
103.03925	88.2
104.04284	1.0
109.02859	16.2
111.08046	1.4
115.03913	1.1
126.12782	1.0
127.03893	100.0
128.04227	2.0
145.04938	56.5
146.05222	0.9
153.01820	0.8
156.38248	0.8
163.05994	52.4
164.06349	1.4
169.04987	1.1
187.05975	5.5
205.07085	3.2
209.11719	1.8
229.04887	1.1
253.07077	1.0
256.04495	0.7
269.13885	2.6
271.08136	7.2
273.03958	0.8
289.09174	5.4
307.10190	11.7
361.93289	0.7
374.96509	2.0
378.99655	1.0
383.00290	1.1
384.00098	1.6
389.17944	1.7
424.13580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07766	0.4
51.02106	0.5
55.01859	0.7
55.05497	1.2
56.05025	1.3
67.04230	0.5
68.05012	0.7
69.03411	1.8
70.06566	2.0
71.78634	0.8
81.03400	0.8
82.06566	1.0
83.07366	1.3
85.02900	3.6
91.05460	2.0
93.07027	0.9
95.04938	0.9
97.02873	1.9
97.10049	0.5
99.04421	0.6
100.07596	100.0
101.05980	1.0
101.07923	1.3
103.03864	0.6
103.05477	1.1
106.73687	0.5
107.04939	1.3
109.02847	1.1
109.06454	0.7
111.04426	0.6
112.07578	1.1
117.16591	0.6
119.04910	1.1
120.08088	0.9
121.06453	2.8
122.07195	0.6
125.01677	0.7
127.03905	2.2
131.04926	1.5
133.02829	5.3
135.04373	1.4
137.05956	3.4
140.07066	0.9
143.02643	0.6
145.04984	0.8
147.04405	0.8
148.05167	0.8
149.05948	5.1
153.05470	0.9
159.04428	1.4
163.03865	1.5
165.05452	5.3
167.07008	8.3
169.42218	0.5
177.05423	12.7
181.08575	0.6
197.08049	13.0
209.08043	16.0
219.65857	0.6
227.09113	7.6
355.64417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05495	0.9
61.01134	4.8
67.05471	1.1
69.74529	4.4
69.74955	2.8
71.04976	0.9
72.04509	10.1
72.78709	0.8
73.02898	1.2
75.01297	1.0
78.03780	13.9
81.03409	1.3
83.04954	2.0
85.02885	8.5
85.06527	1.2
86.06058	1.3
86.08694	0.9
88.02224	4.4
95.04970	1.2
99.04423	3.2
99.05557	3.9
99.41439	0.9
102.03106	2.0
102.03739	22.8
103.02087	2.0
103.03920	13.9
106.75579	0.9
109.02853	4.0
112.07613	1.1
113.06008	1.6
114.03735	2.6
114.05495	1.2
120.04781	3.4
124.07581	1.5
126.04609	1.3
126.05495	18.1
127.03878	7.5
131.06342	9.3
132.04765	11.7
141.06596	1.4
142.08606	4.3
145.92300	0.9
149.07417	47.0
152.06998	1.9
154.08565	2.6
158.02670	1.3
159.05869	2.1
175.05356	2.4
180.06532	11.0
184.09705	2.8
198.07561	2.4
209.15308	2.3
216.08662	1.2
231.11559	2.4
257.09503	1.7
261.12579	4.0
275.10568	2.5
293.11600	100.0
294.11743	2.1
309.76068	0.9
370.71405	1.0
405.16797	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	423.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05503	5.8
57.03431	1.6
57.07058	3.8
58.07420	0.8
66.18191	0.7
67.05499	7.8
68.83434	0.7
69.07052	8.0
71.00842	1.8
71.04977	1.8
71.08612	2.4
78.20470	0.9
79.05483	4.3
81.07044	13.2
82.77847	0.8
83.04975	2.0
83.08612	4.8
85.06525	1.8
89.06030	1.5
91.05476	4.8
93.07035	9.2
95.04969	1.4
95.08588	10.7
97.06516	2.4
97.10150	1.6
105.07017	6.2
107.08582	9.4
109.06502	12.1
109.10153	5.1
111.08083	1.6
117.07024	1.5
119.08550	6.5
121.10113	5.1
123.08051	36.5
123.11690	3.5
129.07008	0.8
131.08574	3.6
133.10083	4.5
135.08037	8.3
135.11649	3.6
137.09615	2.7
139.34656	1.0
143.08565	1.2
145.10117	2.6
147.11671	3.0
149.09621	2.7
149.13258	2.4
150.12952	0.9
151.11095	1.0
157.10118	2.1
159.11670	2.9
159.71313	0.9
161.13225	1.7
163.11186	1.5
165.12747	1.1
167.10722	1.0
169.10086	1.6
173.13332	2.1
175.14775	1.1
177.12729	3.5
179.14285	35.1
180.14523	1.0
205.15955	1.5
215.17749	0.9
233.18958	1.2
247.20659	1.2
263.20172	1.5
269.19125	1.0
275.20111	3.2
293.21130	2.2
301.70004	0.7
303.26782	3.7
331.26245	21.8
349.27377	5.9
367.24750	1.2
387.28754	1.1
405.29947	2.4
423.31006	100.0
424.31500	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	422.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75692	1.5
57.07064	14.2
66.43845	1.5
67.05463	5.1
69.07058	10.4
71.04974	6.2
71.08610	14.0
81.07037	3.1
83.08591	3.2
83.18439	1.8
85.10159	1.6
87.04453	1.8
89.05988	4.1
91.94292	1.7
95.08569	3.2
105.06988	2.5
107.08534	2.8
109.10133	43.6
127.11169	100.0
128.11485	3.4
133.08582	3.1
145.10011	2.0
149.02312	54.4
167.03387	2.9
195.12221	2.0
229.86086	2.2
259.69717	1.8
313.46820	1.8
320.17365	1.9
439.02179	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.01856	0.4
55.05495	1.5
55.67278	0.2
57.06829	0.3
57.07065	3.7
67.05495	1.9
69.07057	2.6
69.28010	0.2
70.02918	0.4
70.06564	0.8
71.08620	2.9
71.16317	0.2
71.71315	0.2
71.71656	0.4
72.04482	0.3
79.05452	0.8
80.04958	0.2
81.03387	0.9
81.07049	2.5
83.04967	0.4
83.08631	0.5
85.02894	0.4
85.10144	1.0
89.05997	0.6
91.05441	1.1
93.07011	0.6
95.04946	1.7
95.08598	2.3
97.06550	0.5
97.10117	0.3
98.06034	1.5
105.07004	0.7
107.04926	0.4
107.08553	0.7
109.02849	1.8
109.06492	0.3
109.10139	0.6
114.09151	1.3
119.08558	0.5
121.10126	0.3
123.04407	1.6
123.11656	0.3
125.05930	0.5
199.16951	0.5
206.18971	1.5
207.17407	1.7
224.20056	6.2
235.16899	1.5
249.18402	1.5
250.21649	0.6
252.19568	4.6
268.22668	4.6
361.30939	100.0
362.31268	5.6
422.24118	0.7
422.36185	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	422.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.8
53.65245	1.8
55.01861	3.2
55.05493	7.4
57.07077	3.1
59.05003	3.0
65.64953	1.7
67.05490	14.0
69.03413	7.0
69.07042	12.7
69.22762	1.9
70.06583	9.2
70.30849	10.5
71.04974	4.0
73.02879	2.4
79.05482	10.0
81.03405	32.5
81.07059	15.4
83.04971	8.9
83.08612	3.7
85.02891	18.6
85.06533	4.0
86.09695	2.1
87.04410	2.7
90.19727	2.3
91.05463	17.7
93.07030	41.4
95.04951	25.4
95.08609	17.6
97.02875	5.9
97.06546	5.1
99.04433	7.5
105.07017	26.7
107.08574	23.9
109.02866	3.5
109.06509	8.0
109.10137	29.9
111.04395	2.4
111.08052	4.8
112.07622	5.5
113.06004	5.2
116.07102	4.0
117.07027	5.1
119.04983	2.0
119.08567	38.7
121.06494	7.6
121.10133	21.8
123.08044	7.3
123.11726	2.2
124.03932	2.9
125.09613	6.0
127.03903	5.9
131.08565	13.7
133.06459	3.3
133.10077	11.0
135.11703	4.8
137.09598	42.3
138.05431	2.3
143.08517	2.9
145.04958	5.7
145.10118	4.8
147.04366	5.9
147.08003	2.4
147.11664	22.7
149.09575	14.6
149.13214	3.8
151.07518	8.2
155.10670	20.5
156.09210	2.3
157.07584	3.1
159.11662	12.5
161.13245	20.5
163.11179	3.7
165.12691	19.7
166.48753	2.3
167.07025	3.7
167.10658	5.1
169.08603	5.9
171.11697	6.4
174.10394	2.8
177.12744	11.7
179.14359	3.7
189.12729	21.8
195.13794	18.3
207.13774	100.0
225.14813	57.9
226.15242	3.3
231.02904	3.7
242.06796	2.3
243.15909	16.6
244.50737	2.1
255.11203	3.2
263.81256	1.9
301.11789	3.6
423.08765	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	422.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59365	0.7
55.05262	1.1
55.05502	14.3
61.02907	1.9
67.05491	2.1
68.31355	0.7
69.03407	3.0
69.07053	1.1
70.06575	1.8
70.16425	3.8
70.16792	1.4
71.04970	3.7
79.05495	1.0
81.03403	1.8
81.07037	2.6
83.04967	12.5
84.08131	0.8
85.02886	6.7
85.06569	0.9
85.29543	0.7
86.09708	1.8
87.04454	1.0
88.77107	0.7
91.05482	1.0
93.07016	1.9
95.04955	100.0
95.08601	1.8
96.05294	2.3
97.02885	2.5
97.06509	1.5
97.76276	0.7
98.20764	1.1
99.04434	14.2
105.07012	2.6
106.02910	2.1
107.08566	3.9
109.02856	1.5
109.06509	1.4
109.10144	4.2
111.08071	1.4
111.52473	0.7
113.06029	1.0
119.08563	3.0
121.10157	3.8
123.08067	3.5
123.11685	1.4
124.03935	3.1
125.09614	4.2
127.03864	2.2
133.10135	0.8
135.07974	0.8
135.11700	0.8
136.46828	0.7
137.02341	1.3
137.09612	3.5
145.04977	1.6
145.10100	1.1
147.11688	2.8
149.09590	11.3
151.11153	1.2
153.09084	42.3
154.09392	0.9
155.10629	3.1
161.13271	2.1
163.11189	1.6
165.12691	1.3
170.30205	0.8
171.11696	1.2
181.12239	0.7
189.12712	1.9
207.13802	10.4
209.15331	1.4
225.14824	83.2
226.15186	3.1
232.34315	0.9
243.15840	4.0
268.08231	1.2
387.20078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01847	3.5
55.05494	3.6
57.06787	2.3
57.07066	35.6
62.88055	1.2
65.03893	1.7
67.05496	14.7
69.07042	5.3
70.02161	7.6
71.08618	52.1
79.05458	3.8
81.03406	3.8
81.06599	1.6
81.07047	29.5
83.01315	2.6
83.04975	6.0
83.08581	1.9
85.02881	5.1
85.09660	1.9
85.10164	29.4
86.09731	1.4
91.05476	1.9
93.07014	3.3
95.04939	3.2
95.08591	30.2
96.08893	1.3
97.02865	2.4
99.04472	1.5
102.66128	1.1
105.06989	2.1
107.08595	1.9
107.82423	1.3
109.02859	4.0
109.10107	1.5
111.00771	4.8
111.04427	3.8
113.09586	1.1
121.02863	1.2
127.03844	3.1
137.02287	4.9
137.13242	6.6
139.03885	18.0
141.01837	1.5
151.03937	1.3
155.03368	8.8
155.04543	1.9
155.14279	100.0
156.14560	1.7
165.01830	2.9
173.15298	1.7
183.02890	12.8
183.17432	1.3
197.04413	2.4
201.03920	52.6
250.10750	1.9
281.73914	1.2
327.17783	2.2
330.21280	2.0
337.16318	6.1
355.17496	13.9
369.19000	1.3
422.25174	2.2
422.30231	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.9
55.05492	2.9
57.07071	10.5
60.20348	0.7
65.03909	0.8
67.05497	9.5
69.03410	2.7
69.07056	4.9
70.06583	1.5
71.01334	4.4
71.04990	3.7
71.08237	1.0
71.08617	15.7
77.14368	0.7
79.05477	1.4
80.81109	0.8
81.03410	5.2
81.07043	11.7
83.04961	3.6
83.08610	2.2
85.02890	72.9
85.10156	6.4
91.05459	1.2
93.03355	1.2
93.07034	3.0
94.21877	0.7
95.01340	4.0
95.04942	2.0
95.08591	11.0
97.02886	3.5
99.04442	3.4
105.03358	0.9
105.07031	1.2
107.08553	1.1
109.02851	6.2
109.06522	0.8
109.09380	0.7
109.10145	2.4
111.00789	4.0
111.04427	4.6
113.02353	4.2
115.20050	0.7
119.08569	0.9
121.02865	2.7
121.06400	0.7
123.04411	6.1
125.02348	1.6
125.05965	1.7
127.03922	3.5
129.01820	2.7
129.05420	0.9
131.08525	1.2
133.10110	0.9
135.11655	0.9
137.02328	7.2
137.13214	2.2
139.03874	11.4
143.07002	2.7
149.02373	0.9
151.03915	0.9
153.01820	1.3
153.05441	10.3
155.03381	2.6
155.14278	9.9
157.04968	2.1
165.01781	1.0
169.04958	2.4
171.06508	26.9
183.02863	6.7
187.05983	1.6
196.42679	0.8
197.04378	2.0
197.15329	5.7
207.17378	0.8
211.16888	3.4
215.05490	3.0
223.16881	8.9
227.16338	1.3
233.06491	2.1
235.16837	1.5
239.16382	51.5
240.16806	2.1
247.17159	0.9
250.10762	1.5
251.69179	0.7
253.17955	91.8
254.18344	4.0
263.16397	28.4
263.18713	0.5
264.16714	1.2
265.17889	2.6
268.11841	0.8
275.22595	0.7
281.17432	2.8
291.15924	4.2
299.18488	100.0
300.18765	4.3
309.16928	25.5
337.16217	1.3
355.17392	5.3
369.19064	4.3
384.62097	0.9
387.20090	6.3
423.27313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	11.7
55.05494	8.8
57.03421	2.5
57.07067	53.2
65.03921	5.2
67.05497	28.6
69.03416	4.8
69.07043	9.9
70.06563	11.1
70.93961	7.7
71.01341	6.9
71.04976	2.6
71.08618	80.7
79.05477	3.1
81.03392	9.0
81.07042	41.6
83.01320	3.4
83.04974	13.8
83.08650	4.0
85.02883	10.7
85.10165	42.2
88.07620	6.8
91.05452	4.6
93.07024	2.8
95.01313	100.0
95.04960	4.1
95.08593	51.9
97.02873	5.8
99.04433	2.7
101.02361	4.1
102.09172	5.5
104.10715	5.7
109.02867	13.1
111.00757	11.1
111.04435	21.5
113.02361	4.9
118.06487	5.3
121.02809	4.2
125.02308	2.6
127.03877	11.7
137.02321	16.0
137.13237	12.0
139.03880	44.4
141.01785	11.6
146.06001	16.8
147.06345	5.5
149.02324	32.0
149.03401	4.7
155.03363	81.3
155.14281	97.1
156.14565	2.3
165.01846	7.4
169.04915	9.1
173.04443	3.5
177.85049	2.3
179.03412	5.6
183.02840	14.5
188.07043	15.8
189.07396	12.8
193.04933	43.6
197.04417	55.8
201.02028	5.5
201.03917	96.0
208.61993	2.5
215.05548	15.3
217.03276	3.2
256.26288	22.0
281.17566	2.8
299.18542	5.6
309.17029	4.5
327.18002	8.9
330.20871	3.4
337.16202	6.9
351.17825	8.1
355.17426	26.0
356.17661	3.1
369.19034	14.6
373.18503	12.3
380.69223	2.5
422.29221	58.0
423.27814	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59183	2.1
53.03943	2.9
53.77702	2.2
55.01863	7.1
55.05507	5.1
56.71211	1.8
57.07067	20.8
58.50125	1.9
60.15116	2.0
65.03923	3.7
67.05188	2.2
67.05485	14.6
69.07057	10.3
70.06587	14.3
71.08616	30.1
71.79514	2.4
72.37872	2.2
73.02919	4.2
79.05468	7.5
80.82334	1.7
81.03416	4.4
81.07047	19.7
83.01328	6.7
83.04970	3.2
85.02895	4.7
85.10172	14.6
88.07624	16.7
91.05484	6.7
93.07066	5.1
95.01314	26.5
95.04948	4.6
95.08591	18.5
97.02891	3.1
97.06519	2.2
99.12502	1.9
102.09171	11.0
103.05461	3.6
105.03432	2.3
105.07021	16.1
107.04963	3.7
107.08582	2.4
108.31978	1.8
109.02862	10.1
109.06498	3.2
109.10174	5.0
111.00790	37.1
111.04428	5.2
118.04149	2.4
121.02866	4.1
121.06430	2.1
123.04396	2.5
123.11722	2.0
127.03921	5.9
129.01851	2.5
131.08455	1.7
133.06477	14.1
133.88264	2.0
135.08038	3.2
137.02357	7.4
137.05994	3.4
137.13260	2.0
139.03879	11.5
141.01892	3.8
143.03369	34.8
143.04390	2.5
149.02327	66.3
151.03906	3.9
155.03378	34.0
155.14262	24.0
165.01822	4.0
165.09096	9.2
167.03416	4.7
169.04906	10.3
179.03424	3.7
183.02940	8.1
193.04948	69.8
193.08575	65.7
194.09042	3.9
197.04442	24.8
201.04033	2.5
215.05565	12.7
221.15523	2.9
227.16399	44.2
256.26331	38.8
258.71536	1.9
262.96164	2.4
263.16464	7.8
265.14386	5.1
267.16006	3.4
275.47836	2.1
281.17474	4.0
291.15997	7.5
293.17499	8.1
295.31470	2.1
323.18427	12.9
337.16492	5.6
341.19894	2.3
348.22498	2.3
351.17963	18.0
352.01303	2.2
369.19046	46.9
422.29080	100.0
423.29025	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	422.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11198	1.8
55.01865	6.3
57.07071	11.1
67.05480	9.4
69.07055	4.1
70.06026	11.3
70.06580	8.5
71.08619	11.8
73.02895	2.1
75.50299	1.6
79.05495	8.0
81.03419	3.2
81.07055	11.7
83.01347	2.7
83.08649	2.8
85.02879	4.7
85.10176	5.7
87.04457	2.6
88.07628	14.8
91.05479	3.9
93.07029	2.4
95.01316	18.4
95.04947	3.8
95.08576	13.6
102.09167	5.3
103.05457	4.4
105.03361	2.5
105.07012	22.3
107.04947	4.6
107.08581	3.8
108.73150	1.8
109.02877	4.8
109.10106	3.1
111.00759	14.4
115.03857	2.5
117.07031	2.4
120.05712	2.0
123.08106	1.8
129.01831	2.2
133.06470	16.1
133.10066	2.1
135.04453	2.6
135.08060	2.1
137.02396	5.2
137.05991	8.2
138.09111	2.0
139.03937	7.3
143.03369	20.6
149.02318	51.6
150.06772	5.2
155.03394	19.5
155.14272	10.7
165.09073	17.8
169.04990	4.9
193.04938	63.9
193.08569	100.0
194.09018	3.3
197.04482	14.1
215.05530	10.1
227.16428	17.6
256.26343	29.2
256.28897	2.7
263.16461	3.7
291.16010	5.3
293.17529	5.7
323.18646	8.1
337.16403	3.8
351.17911	9.4
363.08807	3.3
369.19028	26.0
422.29105	78.4
423.13522	7.0
423.27792	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	422.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
52.99096	0.8
53.03929	2.8
55.01858	0.9
55.82840	0.7
57.03414	2.2
59.14997	0.6
61.05904	0.7
61.17759	0.7
69.03414	9.5
71.04979	1.0
71.15855	1.9
73.02886	0.8
78.02981	0.7
78.03436	20.2
80.04983	2.7
81.03402	23.3
85.02885	10.0
90.77930	0.7
95.04922	0.8
96.02112	1.2
96.04460	6.1
97.02879	6.4
97.03412	1.1
99.04436	3.0
106.02894	77.5
109.02854	12.9
113.84546	0.7
124.03925	100.0
127.03894	11.0
137.02312	52.5
163.72704	0.6
166.04924	1.4
168.10826	0.7
171.11081	0.8
196.06001	1.0
202.04932	1.0
210.28128	0.8
232.06122	1.0
250.07071	39.0
251.07327	1.2
268.08102	46.6
269.08392	1.5
369.39038	0.8
370.89850	0.8
404.09692	19.3
405.10001	1.6
422.10730	28.7
423.10995	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69432	0.4
55.28996	0.4
67.64273	0.5
69.03433	0.5
69.44799	2.1
69.45231	3.2
70.06569	0.7
76.34492	0.4
78.23064	0.4
79.05470	2.0
83.04976	0.5
84.04503	0.6
85.02886	0.7
91.05478	0.6
95.04949	0.8
97.02853	0.6
103.05454	1.9
105.07009	100.0
106.07343	3.8
106.86271	0.4
122.09644	62.5
123.09985	2.3
127.03863	0.9
130.05061	0.4
130.06468	0.5
131.13622	0.4
132.04308	0.4
132.77855	0.4
137.05893	0.6
146.09685	0.5
147.04384	0.8
151.03867	0.5
163.03841	1.2
186.05849	0.9
214.05313	0.6
253.02866	0.5
260.05823	0.9
364.30130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29160	1.0
57.28434	1.0
58.88851	1.0
67.01837	3.1
67.05470	1.1
68.99766	3.0
69.03404	3.5
70.06583	1.7
71.78876	1.2
79.05463	1.1
81.03407	1.1
82.40330	0.9
85.02888	1.3
91.05434	1.4
93.07038	1.1
93.30849	1.0
95.04949	1.3
97.06551	0.9
107.04929	4.3
109.10185	1.1
110.06014	1.0
111.00752	2.4
119.04958	1.6
121.02841	2.5
121.06502	1.2
123.04359	2.2
127.03899	1.1
133.02815	1.7
133.10251	1.1
135.04391	8.7
147.02658	1.1
147.04391	2.0
149.00526	3.6
149.02264	3.9
150.06810	1.9
151.03885	2.1
153.01802	100.0
154.02118	2.5
154.97931	3.5
161.02283	3.4
163.03833	1.2
165.01842	1.1
171.02841	8.7
171.04298	2.1
175.02098	4.0
175.03703	1.2
177.01796	9.3
177.18367	1.0
179.01720	2.1
179.03352	38.2
180.03592	1.5
181.03137	7.9
187.02106	3.0
190.06229	2.0
193.03120	1.3
195.02809	2.1
197.04385	3.8
199.03853	2.5
200.98409	2.1
201.00043	5.0
202.00754	3.5
203.01590	1.6
205.01346	1.8
207.01094	4.3
207.04675	2.6
216.02313	1.4
217.03018	1.2
218.00230	1.3
223.02339	3.4
225.14854	2.4
227.01587	13.3
229.05022	2.1
230.00267	24.1
231.00899	1.6
232.01898	4.7
233.02597	3.3
233.99802	2.2
241.03288	1.4
244.01768	1.4
245.02640	74.7
246.03050	3.3
247.04272	5.1
248.01312	2.0
249.02126	6.7
253.05142	2.7
255.01100	7.6
256.01804	2.9
263.03720	4.0
270.07800	6.3
272.01340	6.3
273.02103	25.9
277.05270	2.3
279.03204	2.2
283.00537	6.9
284.01111	1.4
296.05698	2.7
300.00797	14.1
305.04846	1.7
315.03152	34.7
316.03589	2.2
333.04202	27.5
334.04370	1.2
341.04666	2.5
359.05786	29.2
360.06195	2.1
376.08594	7.6
382.00302	1.3
387.05280	39.6
388.05606	1.8
405.06339	44.2
406.06787	3.0
422.09064	30.6
423.09326	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3668
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
52.44096	0.4
53.03923	1.4
55.01852	1.6
55.05259	0.7
55.05502	8.5
57.03416	0.5
57.07074	5.5
57.80371	0.4
59.04981	0.8
65.03922	0.7
67.05492	11.2
69.07057	14.1
69.97511	2.7
71.08618	3.5
77.60006	0.5
79.05472	1.7
81.03414	0.5
81.07053	3.9
83.04960	0.7
83.08145	0.8
83.08608	8.7
85.06523	1.4
85.10155	2.3
91.05466	6.7
93.07027	38.1
94.07361	1.1
95.04970	2.4
95.08591	24.9
97.06537	1.1
97.10155	4.3
99.84644	0.6
105.07001	1.8
107.08577	3.8
109.06494	1.1
109.10131	2.2
111.08061	18.6
111.11690	2.2
119.08559	2.1
121.06483	3.2
121.10120	1.4
123.08051	1.6
123.11649	1.0
125.09612	2.3
125.13254	0.5
127.07537	3.9
129.05475	0.5
133.08614	0.7
133.10085	1.3
135.08014	0.7
135.11699	0.7
135.80115	0.4
137.09595	1.1
137.13240	0.7
139.07521	20.4
139.11119	0.6
140.10577	0.5
145.10133	0.9
147.11694	0.8
149.09596	0.9
149.13191	0.7
151.11118	1.7
153.09079	11.2
154.09444	0.7
157.08577	3.8
158.85098	0.5
165.09148	0.7
167.10643	7.3
173.13203	0.6
179.10623	0.8
181.12219	6.1
193.12244	1.5
195.13770	5.5
207.13739	2.3
209.15268	3.4
221.15346	0.7
223.16898	1.7
235.66820	0.4
237.18349	1.1
251.20047	1.6
265.21640	2.0
277.21677	0.6
279.23138	1.2
291.23077	0.6
293.24701	0.7
295.17902	0.5
319.00909	0.5
319.90881	0.6
362.31335	0.8
403.35645	25.5
404.35876	1.9
421.36688	100.0
422.37030	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.05500	21.2
57.03424	1.3
57.07064	25.1
66.74443	1.0
67.05486	7.8
69.03406	1.1
69.07056	28.0
69.84888	5.3
69.85309	2.1
71.08302	1.1
71.08623	15.7
79.05471	4.6
81.07041	17.3
83.04964	33.7
83.08601	17.8
85.06546	1.2
85.10172	6.3
89.06016	2.2
89.57914	1.0
91.05444	4.2
93.07021	10.8
93.94538	0.9
95.04942	1.7
95.08588	21.8
97.10141	10.5
98.21291	1.9
105.07015	6.4
107.08570	7.4
109.06499	6.9
109.10139	10.5
111.08086	5.1
111.11692	4.9
119.08545	9.6
121.06482	2.4
121.10115	7.8
123.08028	9.5
123.11691	6.1
125.05939	1.2
125.13180	1.3
131.08537	1.4
133.08536	1.5
133.10130	6.3
134.67946	1.0
135.08038	6.8
135.11652	2.3
137.05956	20.7
137.09586	3.6
137.13202	2.6
139.07500	7.3
143.08475	1.1
145.10051	1.9
146.07214	1.3
147.07988	2.0
147.11667	4.1
149.09554	1.9
149.13206	1.9
151.07545	5.1
151.09917	1.1
151.11076	4.8
151.14676	1.6
153.09045	1.3
155.06999	3.9
156.09265	1.1
157.10193	1.2
159.11713	2.2
159.28773	1.0
161.09595	18.6
161.13242	7.2
163.11142	1.4
163.14804	1.3
165.09193	2.2
165.12666	5.5
171.11644	1.4
175.11142	12.2
175.14734	1.2
177.12761	3.2
179.10629	3.9
179.14278	2.6
182.10603	0.9
189.12703	11.3
191.14519	1.2
191.17871	1.2
193.12114	1.8
195.13757	1.2
203.14365	2.1
207.13763	3.5
221.15427	1.2
223.16914	1.5
357.35104	2.6
367.33432	1.4
375.36157	28.0
376.36591	1.3
385.34558	15.7
403.35641	66.0
404.35971	3.4
421.36676	100.0
422.37018	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	421.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91017	0.4
53.76394	0.4
56.79379	0.4
57.07068	0.6
67.05482	0.7
69.04788	0.5
69.07029	0.6
76.98058	0.4
78.48043	0.4
81.07038	1.0
83.08624	0.5
89.05989	0.6
93.07018	1.0
95.08568	1.1
98.21478	0.7
126.51949	0.4
155.01073	0.4
166.12173	0.6
183.14915	1.2
221.15118	1.0
223.16626	0.6
224.20026	2.0
235.70555	0.4
251.16135	20.4
251.18781	1.0
252.16557	0.5
252.19556	1.2
268.22733	1.0
292.18668	1.0
340.96713	0.5
361.31046	0.9
403.35461	0.8
421.32758	100.0
422.32693	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	421.3669
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03927	2.2
53.23594	1.5
55.05502	22.6
57.03432	2.1
57.07070	26.8
67.05504	9.8
69.03399	1.4
69.07059	31.4
71.08617	16.9
71.51969	3.5
77.26785	1.7
79.05481	4.7
81.07044	18.7
83.04967	32.4
83.08607	21.1
85.10149	8.4
87.18950	1.5
87.36217	1.5
89.06034	3.8
91.05469	5.0
93.07043	8.6
95.04948	3.5
95.08597	23.6
97.10155	9.3
99.04426	1.6
105.07001	8.5
107.08575	9.0
109.02851	1.9
109.06495	8.9
109.10150	10.6
111.08055	7.1
111.11707	6.1
119.08566	13.3
121.06502	3.0
121.10112	5.1
123.08083	8.4
123.11713	5.5
125.09616	1.7
133.08612	2.2
133.10088	9.0
135.08034	7.3
135.11642	1.6
137.05949	21.6
137.09618	3.3
138.06305	1.5
139.07536	6.8
141.75822	1.8
143.08493	1.8
147.11687	4.3
149.09564	2.0
149.13287	2.3
151.07539	5.0
151.11153	3.0
153.09111	2.7
155.06990	6.8
157.10147	1.7
159.11670	2.0
161.09612	18.1
161.13246	5.8
163.11172	2.2
165.09099	3.4
165.12732	3.2
175.11209	10.0
175.14833	2.2
177.12805	3.3
179.10677	3.6
179.14301	3.8
189.12680	10.6
193.12131	2.1
195.13863	2.0
203.14302	2.6
207.11996	1.6
207.13824	3.9
221.15259	2.2
234.22810	1.6
249.18478	1.6
259.20682	2.0
349.00903	1.7
357.35068	3.2
364.79483	1.6
375.36224	25.0
385.34619	11.9
403.35748	60.4
404.36078	3.7
405.66354	1.8
421.36771	100.0
422.37119	5.7
429.49045	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.3
55.05501	0.6
57.07054	0.3
63.79766	0.2
65.03947	0.3
67.05495	1.4
69.07042	0.4
69.56966	1.2
69.57381	0.9
70.06563	0.4
71.06963	0.2
71.08614	0.4
73.64780	0.2
79.05473	1.1
80.04990	0.4
81.03376	0.4
81.07047	0.9
83.04935	0.3
86.06042	0.2
91.05472	2.1
93.07028	0.7
95.04951	1.0
95.08590	1.3
103.05452	0.3
105.06995	0.8
107.04901	0.3
107.08559	0.4
109.06473	0.2
109.10109	0.6
112.83867	0.2
113.67315	0.2
115.05441	1.7
117.05737	0.5
117.06994	2.4
118.06521	34.9
119.06859	0.5
119.08566	0.4
121.32208	0.2
122.06021	1.3
128.06204	0.3
131.08530	0.3
132.08102	0.4
133.06433	0.3
142.06500	2.7
143.07268	3.4
143.08315	0.4
144.04431	0.7
144.08064	18.4
145.06471	0.6
145.08360	0.4
145.10068	0.3
146.05981	77.4
147.06316	2.2
149.02341	0.7
155.06039	0.3
157.10109	0.4
158.04449	0.2
160.07538	1.3
170.04524	0.4
170.05981	6.4
176.34331	0.3
179.03465	0.2
184.08926	0.2
187.10999	0.3
188.07036	100.0
189.07397	2.9
193.04936	1.1
193.08609	1.3
234.18486	8.7
235.18996	0.3
256.26404	0.6
274.18011	0.5
292.19022	1.5
311.19968	0.3
329.21005	1.2
377.08810	0.3
379.06830	0.3
403.24631	0.9
421.19150	0.5
421.24915	8.8
422.24530	0.6
422.29126	0.8
434.35239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00287	0.5
53.03939	1.0
55.01624	0.7
55.01867	9.3
55.05267	0.9
55.05507	12.3
57.03428	0.9
57.07063	1.4
59.04956	0.7
61.00883	0.7
61.01142	8.5
67.05495	6.6
69.03394	1.5
69.07053	3.2
71.05222	1.4
72.04496	2.2
73.02894	2.6
78.03759	1.1
79.05492	3.3
81.07042	6.1
83.04960	1.3
83.08610	8.8
85.06518	1.5
86.06055	18.6
86.09705	0.9
91.05467	2.2
93.07019	1.7
95.04959	4.3
95.08610	1.4
97.06512	1.0
97.10152	22.7
98.06043	2.2
99.05567	1.3
102.03777	1.2
105.07005	2.2
107.04951	0.7
107.08593	4.6
109.10139	1.4
113.05967	2.8
114.03734	1.3
115.05755	2.5
115.08670	4.9
117.06978	0.7
119.08501	0.7
120.04797	3.1
121.02837	1.5
121.06504	1.5
121.10078	1.1
124.07581	1.1
124.11227	2.3
125.07102	1.5
125.09614	52.3
126.09934	1.1
130.08597	1.1
131.08557	1.0
132.04779	2.2
133.06477	0.6
133.10098	0.7
142.08623	5.3
142.12276	0.6
143.08849	1.7
143.10657	7.8
149.07419	2.5
149.09604	0.8
154.12244	2.4
157.10086	0.7
159.05855	1.1
159.11705	1.0
184.09692	2.4
184.11333	0.9
193.08531	0.8
196.13307	23.0
197.13684	0.7
202.12582	1.1
203.10976	31.4
220.13629	1.4
244.13634	1.2
256.13602	1.3
259.09598	0.7
263.16592	0.6
273.16232	5.2
291.17328	100.0
292.17670	3.0
329.21121	2.3
403.22491	36.3
404.22882	2.0
421.25925	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1123
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
55.01859	1.8
57.03427	3.0
61.02920	10.8
67.05489	2.1
69.03419	4.5
69.37377	1.5
69.90995	12.3
71.01342	2.3
71.04941	1.9
73.02905	100.0
81.07051	2.2
85.02872	5.0
86.09717	1.8
88.15250	1.7
90.06352	1.6
91.05496	2.4
95.04942	2.0
97.02871	4.4
98.20684	3.0
105.03380	16.8
106.03697	5.8
107.04943	46.2
111.04465	3.2
115.03912	7.1
121.02840	5.6
123.04362	2.1
135.04390	3.2
137.02399	1.9
137.05959	3.3
139.03854	2.7
145.37599	1.7
147.04395	2.3
149.02315	40.2
153.01804	63.9
154.72198	1.5
165.01837	4.5
167.03406	8.0
169.06560	2.0
183.02837	3.2
195.02844	9.4
197.05980	2.8
215.06995	42.5
238.51421	1.8
242.05754	2.0
243.06496	38.4
249.03960	5.3
258.11221	5.4
259.11588	8.2
271.05942	22.2
289.07019	80.1
290.07431	2.4
309.07532	2.6
340.47308	1.9
355.08008	5.8
367.07809	2.8
421.04944	2.4
426.92984	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01875	0.5
55.05508	0.8
57.03421	0.4
57.07076	1.8
57.41237	0.3
58.45024	0.3
61.02910	0.5
67.05489	3.7
69.03424	2.1
69.07058	3.0
71.01137	0.8
71.04977	0.4
73.02887	0.6
79.05484	6.2
81.03414	2.2
81.07044	100.0
82.07373	2.2
85.02892	6.7
85.03387	0.6
87.00818	2.8
89.14862	0.4
91.05489	0.7
93.07035	0.8
95.04951	0.6
95.08598	16.4
97.02881	5.3
99.04472	0.5
104.11049	0.3
105.01854	7.4
105.03383	0.5
109.02874	1.7
109.10149	1.3
119.08624	0.4
127.03896	9.0
129.01862	0.4
137.13239	26.3
138.13573	1.0
145.04950	5.3
154.15916	0.9
159.02914	1.4
231.04942	2.7
249.06119	1.5
267.10754	0.4
284.09842	1.0
335.01419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01854	0.9
55.05482	1.8
57.03409	0.9
57.06820	0.7
57.07066	7.9
61.02905	1.0
67.05495	6.3
69.03422	5.4
69.07059	3.3
69.66669	4.9
70.06576	0.5
70.20833	0.5
71.04969	0.6
72.08030	0.5
73.02880	1.1
78.68854	0.6
79.05480	3.0
81.03410	3.8
81.07044	35.2
82.07375	0.5
83.04951	0.8
83.08604	0.8
85.02895	14.1
87.00808	5.3
91.05456	2.0
93.07035	3.0
94.07337	0.7
95.04940	1.0
95.08593	43.4
96.08939	0.9
97.02888	7.3
99.04419	2.1
99.97874	0.5
105.01855	8.8
105.03376	1.4
105.07022	1.1
107.04948	1.1
107.08570	2.8
108.04494	1.0
109.02884	3.1
109.10148	4.3
114.83996	0.5
117.01862	0.6
119.08559	1.6
120.08047	0.6
121.02859	0.9
121.06505	0.6
121.10156	1.0
121.41610	0.6
123.04431	1.0
123.11684	1.8
127.03902	12.0
133.10120	0.8
135.11668	1.1
137.13234	100.0
138.13568	4.1
145.04921	5.7
147.02934	0.6
154.15894	0.8
159.02895	2.2
159.11739	0.7
213.03746	0.7
223.49834	0.5
231.04968	4.5
236.97092	0.5
248.07561	0.7
249.05927	3.0
263.16391	0.8
284.09744	2.7
294.99289	0.6
385.72916	0.6
403.24600	0.7
420.22177	0.7
421.05405	0.9
421.25690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53531	2.2
57.03431	16.7
59.04980	4.4
59.74479	2.2
67.53989	2.6
69.03418	74.6
70.78217	9.3
70.93456	2.2
73.02892	3.4
75.04465	2.0
81.03424	3.0
83.23022	1.9
85.02115	2.8
85.02893	57.1
85.54868	2.1
86.09677	3.4
87.04455	58.8
91.05466	100.0
97.02876	72.4
98.21398	2.6
99.04433	3.6
103.05447	5.7
105.03365	7.8
105.07035	4.1
107.04933	11.0
115.03905	82.9
120.08090	48.6
120.08957	2.4
121.02858	13.3
121.06482	3.9
121.08454	4.0
127.03912	7.8
129.06937	3.2
133.04947	97.7
133.06448	4.2
145.04906	10.7
150.07599	14.8
159.78249	2.2
161.04398	3.9
175.07516	4.8
223.09636	15.9
223.13153	3.2
240.10172	6.6
241.07169	3.8
253.10687	4.1
259.08069	4.5
295.10153	3.2
325.07166	2.8
403.07870	3.9
421.09146	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	420.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57570	0.5
53.03940	0.7
55.05505	1.7
57.03421	0.6
57.07067	1.1
59.05002	0.6
67.05505	2.7
69.03405	2.7
69.07050	1.4
71.04951	0.8
71.81083	1.0
79.05482	5.6
81.03403	2.1
81.07043	100.0
82.07383	2.2
83.04980	0.8
83.08612	0.8
84.04525	0.7
84.95960	0.6
85.02891	9.1
87.00807	3.1
89.26147	0.6
91.05467	2.4
93.07026	1.1
93.12804	0.6
95.04954	1.7
95.08588	9.0
97.02864	4.5
99.04432	1.3
100.11238	0.9
105.01195	1.0
105.01851	9.7
105.03364	1.4
105.07012	1.9
107.04971	0.9
107.08585	0.7
109.02878	2.3
109.10133	1.1
113.11597	0.5
121.02827	1.1
121.06559	0.6
127.03902	8.8
137.02362	1.1
137.09619	0.6
137.13232	34.4
138.13545	1.3
145.04956	5.2
149.09558	0.7
154.15866	1.0
159.02811	1.1
159.11742	0.7
160.54416	0.6
171.11552	0.6
181.12254	0.6
191.10722	0.6
204.18268	0.7
209.16516	0.7
231.04988	4.6
249.05899	3.3
257.07617	0.7
277.30325	0.6
284.09778	2.1
295.05899	0.6
329.21371	0.9
403.24609	0.8
420.07678	0.6
421.05511	2.4
421.25989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12322	0.8
55.05500	2.4
55.38755	0.9
56.66760	0.9
58.75016	1.0
65.03918	1.6
67.05491	1.6
69.03405	3.6
70.19110	2.2
70.19521	3.3
71.04982	1.0
79.05469	4.3
81.07030	2.0
83.04960	3.9
85.02895	6.7
91.05464	52.2
95.04950	6.3
97.02885	2.7
105.03374	20.9
107.04948	1.9
107.08573	1.6
109.06563	1.3
109.10135	3.6
111.04435	1.5
112.07522	0.9
119.04923	55.7
120.05296	1.5
120.08066	6.1
121.02847	64.3
121.06480	1.6
122.03168	2.2
122.06006	50.1
124.03933	1.5
133.04941	1.4
137.05952	100.0
138.06297	3.5
145.04968	2.4
153.01878	1.1
163.11166	1.5
164.07018	2.2
183.75049	1.0
223.13280	16.9
231.06737	3.2
240.10176	23.5
241.10506	1.0
258.11200	32.2
392.00098	1.3
402.15414	4.1
421.09229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.8
55.01855	0.5
57.03427	0.5
58.37336	0.5
60.22346	0.5
65.03919	2.5
69.03415	1.4
71.04990	0.7
71.81482	0.5
71.81879	0.5
79.05473	1.0
81.03383	1.5
85.02908	3.6
91.05456	1.6
95.04956	1.6
97.02870	1.3
99.04417	0.8
105.03376	17.7
106.02911	0.9
107.04932	1.5
107.08542	0.6
109.02873	1.0
111.04429	6.4
113.09608	1.0
119.04911	0.9
120.08070	0.7
121.02845	100.0
122.03180	1.5
124.03917	1.8
127.03900	1.2
131.08574	1.1
137.02306	0.6
137.05901	2.9
145.10130	0.8
153.01926	0.6
153.12756	0.8
153.47585	0.6
181.51138	0.5
215.07014	0.6
223.13211	1.8
238.53275	0.6
240.10164	46.2
241.10481	2.2
258.11203	14.1
268.08069	1.2
420.13254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28086	0.8
53.03934	1.5
55.01862	1.2
57.03427	16.9
59.04972	3.8
60.04521	1.2
61.02908	3.2
61.17177	0.8
65.03930	0.9
69.03417	61.7
70.06565	2.5
71.04965	1.2
71.81738	1.2
73.02905	8.3
75.04451	2.9
79.05462	2.1
81.03387	2.2
83.04962	1.2
85.02889	50.0
86.03249	0.9
87.04451	47.2
91.05463	100.0
92.05793	2.5
93.07079	1.1
95.04949	2.5
97.02876	68.9
98.03194	0.9
99.04443	4.5
103.03943	2.3
103.05416	5.8
105.03309	0.8
105.06383	0.9
105.07011	5.0
107.04935	12.3
109.02869	3.2
111.04407	1.8
115.03910	81.8
117.05470	2.8
117.06985	2.0
119.04940	1.2
120.08086	29.5
121.02849	5.1
121.06458	2.1
127.03907	10.2
127.96480	1.0
129.06969	1.8
133.04944	88.7
133.06378	4.2
134.05251	1.0
135.04431	1.0
137.05940	3.6
139.03905	0.9
143.03340	1.8
143.08519	1.2
145.04922	11.3
145.06429	3.0
150.07582	11.3
151.03802	1.1
157.06238	0.8
159.08014	1.3
161.04405	3.3
163.03894	1.1
163.05975	3.4
163.07301	0.8
169.04956	1.8
171.08022	1.2
175.07489	3.2
177.09082	1.6
180.08598	1.0
187.05943	1.5
205.08646	3.4
217.08595	3.6
223.06003	3.3
223.09596	11.8
223.13322	1.7
235.09608	2.8
241.07008	3.6
253.10660	4.1
258.11160	1.4
259.08124	5.8
271.11606	1.1
277.09088	2.2
295.10162	5.0
299.36902	0.9
421.09311	2.6
421.15359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06086	1.3
55.05497	6.7
57.03408	3.1
57.07061	11.1
61.20671	1.3
66.40501	1.2
67.05489	11.3
69.07055	13.7
71.04955	2.2
71.08615	7.5
71.24300	3.0
73.02897	10.0
76.10561	1.3
79.05476	5.5
81.07043	17.7
83.04967	6.1
83.08617	4.5
85.06496	1.4
85.10180	3.5
91.05446	9.6
93.07036	10.9
95.08586	22.3
97.06496	3.5
97.58067	1.2
100.88416	1.7
104.56808	1.2
105.06996	18.2
107.08585	11.9
109.06526	2.6
109.10148	11.3
111.08051	2.6
115.07511	1.5
119.08561	11.5
121.10138	8.3
123.07980	1.2
123.11736	3.3
128.06267	1.7
131.08519	6.9
133.10097	9.3
133.56702	1.2
137.13188	1.7
143.08626	1.6
145.10107	4.7
147.11664	28.7
155.08571	1.4
155.14294	4.0
157.10126	3.7
159.11684	1.9
161.13239	4.7
163.14821	2.1
171.13818	1.6
175.14771	1.8
187.14781	4.6
199.16895	100.0
200.17253	3.4
203.17899	27.6
205.15910	3.6
210.99190	1.2
213.16388	1.4
221.18915	2.4
223.89532	1.3
225.78154	1.2
229.19624	1.8
231.17422	5.1
240.19603	1.8
265.18063	2.2
283.26315	1.6
383.33035	6.4
401.34048	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	6.9
57.03425	4.0
67.05490	5.4
69.03425	21.8
69.07049	10.0
71.04967	18.6
71.79707	6.0
72.73412	3.9
73.02917	5.5
79.05474	11.7
80.22413	4.2
81.03402	10.2
81.07030	19.0
82.81111	4.7
85.02888	40.2
87.00809	18.6
87.08931	3.8
91.05477	16.8
92.67115	4.1
93.07021	24.4
95.08590	7.7
95.72395	3.9
97.02883	14.4
97.06498	11.9
105.01834	20.1
105.03381	12.2
105.07017	9.8
107.04956	7.5
107.08561	26.2
109.02851	14.6
109.06502	6.5
109.10130	4.7
119.08540	9.0
121.02843	18.3
121.06416	4.5
127.03904	19.7
131.08633	4.4
133.79552	4.0
135.07996	4.9
135.11691	42.6
137.02310	14.8
145.04968	8.9
147.07941	4.1
149.02298	5.0
149.06004	4.5
153.11554	8.0
153.12718	100.0
155.14194	4.5
161.05971	4.3
167.07036	17.7
171.13737	12.6
173.09552	5.5
177.12741	5.0
181.04884	9.1
191.06952	4.1
207.74818	4.6
209.08011	5.5
245.08054	19.4
258.10950	4.8
287.05432	76.7
383.16943	4.7
419.10645	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	419.3513
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03931	1.6
55.01862	2.0
55.05502	4.0
57.07064	5.4
67.05493	12.1
69.07060	4.8
71.08610	3.9
79.05476	2.2
81.07041	14.7
83.04977	0.9
83.08604	3.7
85.06551	1.3
85.10171	2.1
91.05463	5.9
93.07027	30.6
95.04945	2.6
95.08588	28.6
95.09188	1.7
97.06490	1.2
97.10160	2.8
105.07019	4.1
105.82973	0.9
107.08559	4.4
109.10131	6.9
111.08052	15.7
111.11703	0.9
111.41970	0.8
117.07034	1.3
119.08581	4.1
121.06467	2.0
121.10118	2.3
123.08065	1.5
123.11708	3.9
127.07555	4.6
131.08575	1.6
133.10136	2.2
135.07971	1.5
137.09531	1.1
139.07509	12.6
143.08572	1.1
145.10106	2.3
147.11668	1.5
149.09610	1.0
149.64175	0.8
153.09074	7.9
157.08586	3.9
157.10057	2.1
159.11665	1.1
167.10614	5.2
173.13387	1.2
181.12241	3.8
195.13823	2.8
203.17897	1.4
207.13727	1.1
209.15355	2.4
223.16869	1.2
237.18419	1.6
251.20087	1.0
265.17850	1.1
265.21695	1.5
279.23273	1.0
299.02457	0.9
399.07608	0.8
401.34216	2.7
419.35205	100.0
420.35474	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	419.0964
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03426	4.9
59.92899	0.3
61.02915	1.7
67.59685	0.2
68.99780	0.4
69.03399	0.4
70.27881	0.8
70.28301	0.6
73.02901	13.8
77.30159	0.3
79.05505	0.2
82.46525	0.2
83.33208	0.3
105.03376	0.4
107.04939	0.4
109.02844	0.3
111.00782	0.7
115.03890	1.0
121.02834	1.9
133.02821	0.4
133.05087	0.3
133.06383	0.3
137.02299	0.8
147.04349	0.4
153.01801	3.2
165.01784	1.5
171.04350	0.4
183.02785	0.9
185.05983	0.4
213.05415	1.5
231.06415	0.7
241.04935	0.7
258.05154	0.7
259.05847	0.4
287.05438	100.0
288.05774	6.1
379.44077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.2
53.12271	1.0
55.01857	8.8
55.62093	0.8
57.03411	1.1
57.07059	1.2
61.02909	1.0
65.03915	3.7
67.05485	3.5
68.33917	0.8
69.03410	1.5
69.07052	2.2
71.04967	1.1
71.08627	1.1
73.02910	0.9
75.04471	4.5
78.04700	3.2
79.05476	4.2
81.03400	1.3
81.07036	1.6
83.04953	1.5
85.02433	1.0
85.02863	5.3
91.05466	16.5
93.03390	12.6
93.07042	8.5
95.04955	10.5
95.08607	2.4
97.02895	1.4
97.06496	4.2
98.07916	0.9
103.05444	7.8
105.03358	3.9
105.04482	1.2
105.07015	4.8
106.04158	26.3
106.18939	0.9
107.04971	5.2
107.08566	1.5
109.06496	2.4
109.10102	1.0
111.04433	2.2
119.04922	2.4
119.08506	1.2
121.02840	8.0
121.06487	35.1
123.04389	3.7
123.08028	1.4
124.05202	1.5
125.05966	9.7
129.06911	1.1
131.04897	3.5
131.08514	2.0
133.06480	2.0
134.03612	4.9
135.04405	1.7
135.08069	1.2
137.02293	5.5
137.05951	5.1
138.06680	1.7
139.03865	2.1
139.07504	2.9
140.04594	1.1
141.06964	0.9
145.06563	0.9
147.04440	2.3
148.05159	2.9
149.05959	45.3
150.06363	1.4
151.03842	2.0
151.07504	3.1
152.04672	0.9
153.05408	2.1
153.09074	13.9
154.06219	7.7
159.08060	1.4
161.05913	1.3
163.03929	2.0
163.07483	3.6
165.05431	1.2
166.06221	2.6
167.07014	19.0
168.07436	1.9
177.05440	31.2
178.05751	1.2
179.07011	3.5
181.04950	18.3
181.08571	36.6
182.08981	1.9
187.07574	1.8
191.06981	7.0
205.08490	1.2
209.08057	100.0
210.08748	14.0
221.07935	1.2
237.11137	1.6
245.07996	4.4
247.09886	1.1
249.11224	5.6
265.10831	2.0
287.05405	4.9
307.09851	1.1
317.45432	1.0
330.10870	1.6
369.13266	2.0
401.15717	2.6
419.11313	3.5
419.16617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3308
Annotation	CB-86
Peak:m/z	Relative Intensity
55.05479	0.1
57.07051	0.3
62.23575	0.1
67.05499	0.2
69.07070	0.1
69.56852	1.1
70.06559	0.2
71.08587	0.2
89.23093	0.1
93.06996	0.1
94.06560	0.1
95.08562	0.1
106.06526	0.3
107.07330	0.3
107.08599	0.1
108.08126	0.2
109.06452	0.2
120.04415	0.1
120.08085	0.3
121.08841	0.2
134.05980	0.2
134.09669	0.2
135.06718	0.2
148.07524	0.8
149.08336	1.7
150.05487	0.4
151.06265	1.4
152.07027	0.5
162.09117	0.7
164.07043	1.7
165.07838	0.8
176.07047	0.6
178.05025	0.9
178.08582	1.4
179.09396	0.3
180.06509	0.3
183.05200	1.1
192.10162	0.3
193.07303	3.7
194.08015	0.8
206.08093	3.8
206.11606	0.1
207.08809	0.2
220.09656	0.4
220.13385	0.3
220.20595	0.1
248.12585	0.1
248.16685	0.1
248.19902	0.2
260.20074	0.7
262.14328	0.4
264.19583	0.8
274.21600	0.9
276.15857	0.3
288.19586	0.5
288.23190	0.4
290.17575	0.3
290.21085	0.3
292.19055	0.2
304.18997	0.2
306.20587	8.8
307.20886	0.5
318.20554	2.8
332.22223	0.3
346.23700	0.2
354.42511	0.1
356.35007	0.1
360.32584	0.3
400.32623	0.1
418.33078	100.0
419.33438	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	418.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
67.94499	0.4
70.06573	0.5
70.85648	0.9
73.06531	1.2
73.42599	0.3
79.05478	1.1
81.03388	0.3
85.02894	0.5
91.05490	0.7
93.07028	1.2
95.04939	0.5
103.05450	5.7
105.03358	0.6
106.44707	0.4
107.04931	1.6
113.29035	0.4
118.06462	0.3
120.08082	100.0
121.02878	0.4
121.08412	2.8
124.03940	1.1
131.04909	2.4
136.93416	0.3
149.05936	1.9
166.08609	51.5
167.08937	1.4
235.89748	0.4
351.30124	0.3
388.47336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01852	0.8
55.04084	0.2
56.05017	0.4
57.03436	0.3
57.51179	0.2
61.02925	0.3
65.03929	4.7
67.52125	0.2
68.99771	0.3
69.03423	1.7
70.06571	1.0
70.55515	0.7
70.55925	0.5
71.04948	0.3
72.08157	0.3
81.03378	1.2
85.02892	2.2
86.09703	0.5
91.05470	5.9
93.03376	0.4
95.04948	1.0
96.08102	0.4
97.02879	1.1
99.04438	0.5
105.03380	1.5
105.07006	0.3
107.04939	1.8
109.02869	1.0
110.98972	0.2
111.04427	10.4
112.07602	0.5
116.06989	0.3
118.06532	0.3
119.04920	4.1
119.30315	0.2
120.04447	3.0
121.02847	100.0
121.10107	0.4
122.03187	1.6
122.06007	0.4
123.04445	0.3
124.07596	0.3
127.03883	1.1
132.92241	0.2
134.06035	0.3
135.04405	0.4
136.07555	19.9
137.05942	2.1
139.03876	0.7
140.07027	0.4
141.83070	0.3
145.04918	0.8
145.06412	0.2
149.04649	0.5
150.05426	0.4
161.05913	0.5
161.63907	0.2
162.05493	0.3
164.11514	0.3
200.03867	0.3
213.09189	0.2
221.07916	0.3
226.08612	0.6
239.07034	1.9
256.09653	27.7
257.10052	0.8
265.07138	1.0
283.08142	0.3
288.10037	0.6
301.09048	0.4
344.76935	0.3
358.02872	0.3
418.14026	1.2
419.15094	2.1
427.79001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03940	1.5
55.01852	0.4
57.03419	0.8
61.02913	0.8
62.97929	0.2
65.03952	0.3
69.03133	0.2
69.03424	2.5
70.16859	1.5
71.01355	0.3
73.02896	0.8
77.03951	0.3
81.03398	2.5
85.02887	4.4
87.04482	0.3
91.05469	3.0
95.04951	2.9
97.02888	2.0
98.21358	0.4
99.04423	0.5
103.05432	0.8
105.03372	45.0
106.03712	1.1
107.01276	0.3
109.02842	1.7
114.48993	0.3
119.04927	1.9
120.08083	40.3
121.02840	1.4
121.08421	0.6
122.05994	0.7
123.04399	1.6
127.03889	2.7
134.05989	0.8
135.04410	0.7
137.02318	100.0
138.02657	2.3
145.04950	0.7
146.05972	0.5
153.01764	0.4
155.03354	0.6
165.01891	0.4
167.07115	0.6
168.07381	0.3
179.03377	0.6
202.94102	0.2
238.08583	2.9
256.09644	39.2
257.10065	1.4
287.05447	8.0
299.04587	0.4
299.07596	4.6
303.04846	0.7
347.12961	0.3
418.14920	19.0
419.15378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1489
Annotation	14-norpseurotin A
Peak:m/z	Relative Intensity
53.03933	4.0
53.47580	0.4
55.01853	0.7
57.03431	1.0
61.02909	0.9
65.03941	0.7
69.03429	2.4
69.15334	0.4
69.24385	0.3
71.79258	0.4
71.79640	0.4
77.03910	0.7
79.05475	3.9
79.28703	0.3
81.03399	1.2
84.08154	0.5
85.02378	0.4
85.02886	7.8
86.06848	0.4
86.09659	0.5
91.05453	1.1
95.04948	8.6
97.02888	2.2
99.04494	0.4
105.03369	100.0
106.03696	1.3
106.06520	1.2
107.04932	48.7
109.02856	1.0
111.04408	1.1
119.04906	0.6
121.02842	46.7
122.06001	54.1
127.03848	2.0
133.68991	0.4
134.05983	14.0
135.04385	44.2
136.04698	0.5
136.07545	4.9
137.05943	0.4
138.05505	0.8
145.04881	1.2
162.05516	3.1
163.03841	0.9
163.11235	0.9
164.11539	0.9
210.09123	0.7
220.14069	0.5
237.14742	0.4
238.08630	1.1
238.15126	1.0
256.09625	53.9
257.09961	1.6
357.88538	0.5
418.14621	3.1
418.20798	0.9
419.15247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01851	0.5
61.02924	0.5
62.05414	0.3
65.03924	1.8
69.03408	1.5
69.07018	0.4
70.06567	1.1
71.04976	0.5
71.81821	0.5
77.03907	0.5
79.05468	0.3
81.03406	1.2
82.06565	0.4
85.02889	3.9
86.09688	0.6
91.05469	3.5
95.04942	3.4
97.02870	1.6
100.52289	0.3
104.04989	0.7
105.03375	41.6
105.06970	0.4
106.03678	0.5
107.04935	1.4
107.08604	0.4
109.02875	1.0
111.04428	1.9
112.07548	0.4
118.06520	6.7
119.04917	2.2
120.08035	0.6
121.02847	100.0
122.03173	1.4
122.06001	0.7
123.04419	0.8
127.03891	0.9
128.98653	0.3
131.08604	0.8
133.10158	0.4
134.05991	0.5
135.04405	1.1
136.07550	6.3
137.02322	0.3
137.05920	0.5
145.04979	0.6
145.10043	0.3
151.07544	0.5
152.07039	2.8
153.05389	0.6
161.05925	0.4
163.62936	0.3
173.13251	1.5
175.07639	0.4
175.32278	0.3
191.14233	0.4
220.06621	0.4
221.08167	0.4
238.08595	0.6
240.10136	0.4
256.09656	31.4
257.10071	0.9
291.64941	0.4
308.83527	0.3
311.44733	0.3
314.38498	0.3
358.07904	0.3
380.56232	0.4
393.48849	0.3
397.82401	0.4
414.86731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.9
53.03934	3.1
55.01876	0.4
57.03438	0.6
61.02907	0.6
69.03407	2.2
70.06583	0.5
71.81218	0.7
72.08136	0.7
73.06458	0.3
74.09684	0.8
74.11387	0.3
77.03912	0.9
79.05472	3.9
81.03399	1.2
85.02885	6.9
86.09693	1.0
91.05480	0.6
95.04948	8.2
97.02885	2.3
98.61469	0.4
105.03372	100.0
106.03733	1.9
106.06524	2.4
107.04933	40.5
107.08643	0.4
108.05271	0.5
109.02878	0.8
111.04398	1.0
119.04895	0.7
121.02844	21.7
122.06005	43.4
123.04362	0.4
123.06334	0.5
124.07561	0.7
127.03901	1.9
134.05992	13.8
134.07034	0.7
135.04387	43.2
136.04773	0.7
136.07573	2.2
138.05574	0.4
145.04945	1.0
147.04314	0.4
152.06999	0.4
162.05489	3.9
163.03853	0.9
163.11162	0.4
165.08894	0.4
180.16190	0.4
210.09184	0.5
238.08661	1.6
238.15022	0.6
249.07501	0.5
256.09637	45.7
257.09964	1.4
411.13632	0.4
413.07697	0.4
418.14542	3.2
419.13416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37905	1.4
69.90985	9.9
70.06574	1.2
79.05460	1.4
85.02884	3.9
91.05452	1.5
92.81843	1.3
97.02873	2.2
105.03343	2.0
107.04923	5.9
111.04438	6.9
121.02848	60.1
122.73645	1.3
123.08055	3.0
125.79524	1.3
127.03879	3.0
136.07603	1.4
140.04910	1.5
154.06531	1.7
155.06015	13.6
167.05943	2.5
169.07597	22.2
170.05974	2.6
179.06036	7.0
181.07603	1.7
183.05537	12.0
185.07076	5.9
193.07526	9.0
194.06041	2.1
195.05482	17.5
196.06317	10.0
197.07079	15.9
198.05473	5.4
201.06557	1.6
207.05534	4.3
209.07057	3.5
211.05003	2.4
211.08583	3.6
213.06561	15.9
221.07086	14.5
225.06567	32.7
229.06053	15.4
237.06572	4.7
238.07162	2.1
239.04407	2.1
239.08054	13.9
241.06035	1.8
243.07675	5.1
249.06622	4.8
253.06065	4.0
255.07742	1.8
256.09677	27.1
257.05444	5.0
265.06033	1.4
267.07611	13.1
269.05493	2.7
271.07135	24.9
272.07422	2.2
277.05981	7.4
285.08618	24.6
288.64484	1.4
295.07108	24.0
296.07391	2.0
313.08130	29.4
314.08569	1.5
331.09125	9.2
340.09286	4.8
354.10678	2.9
358.10281	33.3
359.10635	1.9
372.11765	4.0
382.10388	6.5
400.11322	39.3
401.11612	2.3
418.12338	100.0
419.12604	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	417.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01863	4.8
55.05492	11.5
57.07059	8.9
59.41137	2.6
67.05489	26.3
69.03424	3.2
69.07049	17.6
70.06586	3.1
71.08616	6.0
71.29418	7.6
79.05476	21.1
81.07040	38.7
83.08594	9.5
85.06536	4.2
91.05459	33.2
93.07024	37.8
95.04951	11.1
95.08585	35.3
97.06499	3.8
98.09718	3.0
103.05434	4.6
105.06319	4.4
105.07017	66.9
107.04953	5.3
107.08574	52.3
109.06499	100.0
109.10143	25.4
109.62083	2.7
111.08074	7.2
115.05431	4.1
116.06218	2.8
117.07009	14.0
119.05009	4.6
119.08557	72.7
120.08807	3.6
121.06494	14.3
121.10123	61.8
123.08066	9.5
123.11696	19.0
128.06197	9.4
129.07014	12.8
131.08539	35.7
133.06418	3.9
133.10104	64.5
135.08009	16.4
135.11671	33.1
137.05954	5.7
137.09590	5.3
141.07001	8.7
142.07726	15.1
143.08542	29.8
144.09300	6.0
145.06435	4.0
145.10089	46.9
146.09633	15.7
147.07993	17.9
147.11656	18.7
149.09616	9.2
153.07019	5.1
155.08545	16.0
156.09329	12.1
157.10107	45.6
159.08049	8.9
159.11671	24.5
161.09596	12.9
161.13245	6.2
163.11160	6.7
165.07013	7.1
167.07079	2.8
167.08554	8.7
168.09280	8.4
169.10095	29.0
170.10854	5.3
171.11696	32.0
173.09604	13.0
173.13202	21.8
175.11131	15.1
175.14821	13.6
177.09239	3.1
179.08585	8.6
180.09323	7.3
181.10019	15.0
182.10968	6.4
183.11649	26.4
185.09589	11.0
185.13239	15.7
187.07549	3.5
187.11197	9.8
187.14767	14.5
189.16460	4.2
192.09341	7.9
193.10085	15.0
194.10919	8.8
195.08096	3.5
195.11691	25.9
197.09604	10.9
197.13263	17.3
199.11176	11.4
199.14821	13.3
201.12820	6.6
201.16267	4.8
203.08607	3.5
203.10672	6.0
205.10127	4.9
206.10878	8.3
207.11705	15.1
208.12477	4.3
209.13217	17.7
211.11203	9.4
211.14767	11.2
213.12753	7.0
213.16374	7.0
219.11693	13.2
220.12471	7.6
221.13206	13.6
223.11186	4.4
223.14745	10.9
225.12732	10.2
225.16344	7.4
227.14359	4.1
229.12282	3.6
231.11662	6.8
231.17371	3.7
233.13257	7.6
234.13745	4.9
235.14879	16.5
237.12680	7.6
237.16206	5.9
239.14226	6.0
239.17990	9.9
241.15932	3.2
241.19559	9.4
243.11578	5.0
243.13831	4.2
245.13257	5.0
246.14090	4.3
247.10881	3.0
247.14908	5.1
249.16484	4.8
251.14240	7.8
251.17928	4.3
253.15891	9.2
257.13214	3.6
259.14819	4.8
261.16452	4.4
263.14075	7.7
267.13705	3.7
275.17767	4.9
277.15781	7.9
279.17545	7.9
281.18777	4.1
286.17090	3.5
287.17947	4.7
289.15656	3.3
289.19308	3.8
293.18890	4.1
295.16858	6.6
297.22250	8.4
300.23074	3.1
301.19452	3.3
303.17538	4.6
311.17984	4.3
319.20566	5.0
329.18643	3.6
331.24170	4.0
341.22525	7.3
343.20447	4.9
357.25745	7.1
359.23550	8.9
373.25375	5.1
375.26703	12.2
389.28497	3.7
399.26663	29.0
417.21970	5.4
417.27585	87.6
417.31824	7.9
417.89520	3.1
418.27185	13.8
418.33090	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	416.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.1
57.06784	1.4
57.07062	18.9
67.05496	7.3
68.50563	0.7
69.07047	4.2
70.06401	4.9
71.04976	1.6
71.08234	1.8
71.08617	28.4
79.05470	0.9
81.06593	1.4
81.07044	16.6
83.04963	2.7
83.08588	4.3
85.10166	13.4
95.08595	20.2
97.10151	2.3
109.10151	3.8
116.31936	0.9
120.27250	0.7
123.08051	1.4
123.11695	1.1
137.13234	3.6
145.10162	1.0
150.06750	3.0
151.07510	13.6
152.08269	1.2
155.12997	1.3
155.14276	24.9
168.98811	1.0
183.17419	30.8
191.10672	1.6
199.16899	10.0
201.18469	100.0
202.18861	1.5
209.18951	6.2
211.16917	2.8
289.28384	0.9
381.33423	2.0
416.36395	17.0
417.37177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52941	27.0
54.40905	30.3
56.73529	29.4
60.80631	29.0
63.06565	30.2
64.12899	29.0
75.04457	59.4
79.05484	47.4
81.07030	79.5
83.67429	29.5
93.07028	40.1
97.67760	34.6
98.74568	34.5
105.07031	47.3
109.06494	39.6
116.48909	32.8
119.08534	50.5
135.08160	33.8
138.76106	33.6
146.90091	34.2
160.97997	30.8
192.50603	33.4
202.89252	31.9
206.69316	30.3
291.96359	38.9
416.28391	40.6
417.27676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27890	1.3
55.01857	5.4
55.05491	5.3
57.07066	18.1
65.03923	3.0
67.05502	17.8
69.07058	6.2
71.08623	22.0
71.79121	2.7
72.04506	11.7
73.02891	1.4
74.06079	1.3
79.05478	5.5
80.04992	3.4
81.03407	2.8
81.06587	2.0
81.07039	18.1
82.06573	3.9
83.04981	2.4
83.08590	1.6
84.04487	2.4
85.10173	11.6
86.96925	1.3
91.05481	4.0
93.03407	3.0
93.07037	5.1
94.06552	2.8
95.04958	4.6
95.08591	18.5
97.06502	2.2
98.06035	2.4
100.07576	1.4
105.03362	2.1
107.04911	1.7
107.08594	3.2
108.04429	8.3
108.08094	7.0
109.02878	1.8
110.02377	1.7
110.06024	8.5
119.08589	1.9
120.04427	1.9
120.08060	1.7
121.02901	2.2
121.06535	1.8
121.10123	1.4
122.06036	1.4
123.04403	2.5
124.07577	1.9
126.05495	1.7
126.09095	2.4
128.07034	7.4
133.10097	1.5
134.06053	1.9
135.04468	1.5
136.03915	10.8
136.07545	14.7
137.13300	1.5
138.05530	3.0
140.07083	3.4
146.06055	1.6
148.03883	1.7
148.07510	2.5
150.05473	3.5
152.07014	1.6
154.04968	33.3
154.08592	17.2
155.05397	1.4
155.14281	5.1
162.05470	2.3
164.03375	7.5
164.07033	30.5
166.04984	23.5
166.08499	1.9
167.07021	5.0
168.06564	3.2
170.08156	1.6
172.06007	1.3
173.06001	2.1
180.06512	1.6
181.05009	3.2
182.04483	5.7
182.08101	68.8
183.08440	2.0
192.06502	21.9
194.08192	1.6
206.08110	1.6
208.06067	1.5
226.07097	5.7
227.16353	1.4
235.16924	1.4
244.08176	6.3
274.17905	1.7
280.19019	4.2
282.20523	8.2
290.17471	8.5
290.20697	1.9
294.20627	4.7
303.05069	1.4
306.20895	1.3
308.18539	100.0
308.22076	6.5
309.18781	4.0
310.20087	1.3
318.20581	42.5
319.20932	2.8
326.19598	3.7
334.20016	3.2
336.21674	22.4
350.19528	2.4
380.20609	72.4
381.20874	3.8
398.21707	12.4
416.22696	20.0
417.11465	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.01855	2.5
55.05492	2.7
57.03424	0.5
57.06830	0.8
57.07067	10.8
62.06065	1.2
64.00610	0.6
67.05499	8.4
68.05016	0.8
69.07052	6.7
70.60391	2.4
71.08244	0.8
71.08623	14.3
72.04505	9.6
74.06064	1.3
79.05469	2.4
80.05021	3.4
80.05455	0.6
81.03387	0.7
81.07041	10.3
82.06540	2.3
83.04938	0.7
83.08586	2.3
85.02795	0.5
85.10170	7.2
88.03973	1.1
91.05457	1.5
93.03368	1.1
93.07009	1.6
94.02895	0.8
94.06522	0.8
95.04980	0.9
95.08591	10.6
96.04482	2.1
98.06035	1.0
98.20896	0.7
105.07024	0.7
107.04897	0.9
107.08576	0.8
108.04459	10.4
108.08095	2.7
109.10182	1.0
110.06013	3.1
114.05508	0.8
117.06821	0.6
119.08517	0.9
120.04419	1.0
120.08096	1.2
121.02798	0.6
121.10113	0.6
122.02396	1.8
122.06018	2.9
124.03940	1.6
124.07602	1.3
126.05473	2.3
126.09157	1.5
128.07047	5.1
134.05984	1.6
135.11710	0.7
136.03929	9.3
136.07581	6.8
137.13155	0.8
138.05450	2.3
140.07092	2.9
146.05998	0.7
148.07578	0.9
150.05463	2.5
152.03452	0.8
152.07034	2.4
153.12726	0.9
154.04973	12.0
154.07440	0.7
154.08615	10.2
155.14249	2.5
156.06564	1.7
160.03923	1.5
160.07434	0.5
162.05551	0.6
162.09174	0.6
162.39899	0.6
163.06282	1.1
164.03398	13.0
164.07040	8.9
166.04982	2.3
166.08598	1.4
168.06487	1.0
169.98375	0.5
170.04427	1.4
170.08110	1.7
176.06984	1.2
178.04950	1.7
178.08591	1.4
180.06512	1.4
182.04526	8.5
182.08112	34.3
184.06123	1.1
192.06508	2.6
197.15446	0.8
199.16914	2.1
200.09163	3.8
206.07970	0.7
208.06052	0.7
210.07497	1.2
226.06967	0.8
234.18448	1.5
244.08150	2.3
246.09700	2.2
248.16476	0.7
252.19586	1.3
254.06482	0.9
262.18011	1.7
264.19449	0.7
272.07651	1.3
272.16437	0.6
274.17950	0.8
278.17239	0.7
280.19083	1.8
280.22668	1.5
282.20627	1.7
290.17474	18.8
294.20560	1.7
298.20020	4.8
300.19617	0.6
306.20419	1.1
308.18524	100.0
309.18802	2.5
310.20105	2.5
313.89014	0.6
318.20581	4.6
324.18106	1.1
324.21564	1.3
326.19498	1.9
336.21646	32.7
337.21838	1.2
354.22736	11.0
370.22205	3.4
380.20694	2.3
398.21710	18.6
399.21829	0.9
416.22733	74.0
417.22910	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	416.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
61.31495	0.1
65.37468	0.2
69.03399	0.4
81.03390	0.4
81.06983	0.1
85.02882	1.0
91.05460	5.2
91.06029	0.3
95.04972	0.1
97.02891	0.3
105.03362	2.3
105.07025	0.1
109.02836	0.5
109.44122	0.1
110.07171	0.1
118.96175	0.1
119.04897	1.0
123.04441	0.3
127.03884	0.7
127.96902	0.1
137.02315	19.9
138.02657	0.4
141.76015	0.1
153.06935	0.3
165.06973	0.3
167.07059	0.2
180.08037	0.6
181.06447	0.4
190.06480	0.4
198.09077	0.2
204.21072	0.1
208.07518	1.0
226.08606	0.5
236.07066	1.7
253.07405	0.4
254.08069	100.0
255.08389	3.9
289.32034	0.1
296.09262	0.3
381.05789	0.1
399.10919	0.2
416.13333	22.5
417.13675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05492	0.2
57.03416	0.5
60.04520	0.3
62.06067	0.7
65.91222	0.2
69.03410	0.8
70.06580	1.2
71.80314	0.3
71.80773	0.2
72.08140	0.6
83.06070	0.3
84.04459	0.3
85.02876	1.4
86.09689	1.1
87.04448	0.3
87.05624	0.2
91.05447	2.8
93.06429	0.3
93.07026	4.9
95.04944	1.2
97.02875	0.7
103.05438	2.9
106.04998	0.2
109.48218	0.3
110.03544	0.4
110.07163	0.4
111.02276	0.3
111.04420	0.3
116.07064	0.3
120.08070	0.6
121.06481	100.0
122.06818	2.7
123.04408	1.5
127.03886	0.3
135.02965	0.4
135.04391	0.6
136.06114	0.7
136.07625	0.3
137.05876	0.3
138.05507	0.9
138.09114	34.5
139.09471	1.1
140.07007	0.3
145.04903	0.3
147.04375	0.4
152.04585	0.5
152.05650	12.3
152.06895	0.7
153.04045	1.0
161.02893	0.3
163.03886	2.1
164.04231	0.3
164.05627	0.3
166.08652	0.5
167.08981	0.3
221.04883	0.3
273.08191	0.3
285.12543	0.3
288.30087	0.3
312.60770	0.2
321.04639	0.2
381.16010	0.4
416.10120	0.6
416.14920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05492	0.2
57.03416	0.5
60.04520	0.3
62.06067	0.7
65.91222	0.2
69.03410	0.8
70.06580	1.2
71.80314	0.3
71.80773	0.2
72.08140	0.6
83.06070	0.3
84.04459	0.3
85.02876	1.4
86.09689	1.1
87.04448	0.3
87.05624	0.2
91.05447	2.8
93.06429	0.3
93.07026	4.9
95.04944	1.2
97.02875	0.7
103.05438	2.9
106.04998	0.2
109.48218	0.3
110.03544	0.4
110.07163	0.4
111.02276	0.3
111.04420	0.3
116.07064	0.3
120.08070	0.6
121.06481	100.0
122.06818	2.7
123.04408	1.5
127.03886	0.3
135.02965	0.4
135.04391	0.6
136.06114	0.7
136.07625	0.3
137.05876	0.3
138.05507	0.9
138.09114	34.5
139.09471	1.1
140.07007	0.3
145.04903	0.3
147.04375	0.4
152.04585	0.5
152.05650	12.3
152.06895	0.7
153.04045	1.0
161.02893	0.3
163.03886	2.1
164.04231	0.3
164.05627	0.3
166.08652	0.5
167.08981	0.3
221.04883	0.3
273.08191	0.3
285.12543	0.3
288.30087	0.3
312.60770	0.2
321.04639	0.2
381.16010	0.4
416.10120	0.6
416.14920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.9
59.14476	0.3
69.03362	0.5
69.07028	0.7
71.34263	0.3
71.81587	0.3
77.03895	0.7
81.03374	0.8
81.06998	0.3
83.08569	0.3
85.02866	0.6
90.89425	0.3
91.05449	0.6
95.04938	2.0
95.08532	0.4
97.06520	0.4
99.04438	0.5
100.07538	0.3
105.03371	21.6
106.03695	0.4
107.04927	0.4
109.02812	0.9
109.59461	0.3
123.04417	4.1
127.03851	0.4
130.02841	0.4
133.02808	0.3
137.02283	1.0
144.04393	0.8
145.05214	0.6
146.06018	2.2
148.03894	0.4
153.01738	0.4
153.06876	0.5
165.06950	2.1
167.06998	1.4
180.08055	1.6
181.04971	0.5
181.06436	1.2
183.08073	0.6
184.07466	0.3
190.06473	2.7
191.06889	0.3
193.06387	0.4
198.09145	0.6
199.07463	0.9
207.10051	0.3
208.07515	3.5
209.06000	1.4
211.07484	1.3
218.05948	3.9
226.08443	0.3
227.07022	0.7
236.07042	3.5
237.05382	0.8
254.08081	100.0
255.08434	3.8
297.16858	0.4
313.03369	1.1
329.06232	0.3
355.07993	0.9
399.10623	1.9
416.13376	50.3
417.13446	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	416.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63753	0.1
53.03916	0.1
55.05492	0.1
57.03414	0.2
61.02914	0.1
65.03928	0.2
69.03403	0.4
69.07032	0.1
71.07451	0.2
76.50072	0.1
78.62978	0.1
81.03399	0.3
81.21809	0.1
85.02897	1.0
86.09688	0.1
91.05462	5.4
95.04934	0.2
97.02880	0.2
97.06510	0.1
99.04422	0.1
99.32407	0.1
100.11222	0.1
102.33630	0.1
105.03368	2.5
105.07014	0.1
106.03656	0.1
109.02879	0.4
119.04935	0.9
119.08601	0.1
121.10196	0.1
123.04400	0.3
127.03869	0.7
137.02315	20.2
138.02635	0.5
145.04913	0.2
152.63731	0.1
153.07005	0.3
165.06947	0.2
167.07037	0.4
180.08078	0.6
181.04991	0.2
181.06490	0.3
190.06537	0.3
191.06946	0.2
191.62775	0.1
198.09079	0.3
199.07422	0.1
208.07564	1.0
218.05939	0.1
225.07933	0.1
226.08560	0.4
236.07048	1.5
237.07455	0.2
253.07182	0.3
254.08069	100.0
255.08408	5.1
265.12503	0.1
296.09219	0.2
303.05133	0.2
313.03436	0.1
355.07968	0.1
399.10538	0.5
405.79520	0.1
416.13345	21.5
417.13794	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09875	3.0
61.47637	2.7
62.20270	2.8
69.44096	3.2
71.80473	6.5
94.92995	4.3
114.11282	3.1
114.49116	2.9
204.87070	4.8
322.23309	3.2
373.65598	3.0
415.09915	100.0
416.10126	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.2
56.05013	3.8
57.07066	23.0
67.05498	7.5
68.05023	5.4
69.07047	4.3
70.06573	5.3
70.09126	2.4
70.09540	3.9
71.08617	10.1
74.97324	1.0
79.05478	2.6
81.07038	8.5
83.08605	3.4
84.04472	1.9
85.10162	8.8
91.05462	5.7
93.07012	2.5
95.08585	18.6
96.04459	3.0
97.10133	1.7
98.21343	1.3
100.03926	1.9
102.05515	13.3
103.05406	1.5
105.03378	1.5
105.06970	2.2
107.08584	2.4
109.10136	4.9
114.05505	4.0
115.05472	1.7
117.06992	2.7
119.08556	94.0
120.04425	1.6
120.08868	4.7
130.06502	41.0
132.04434	7.9
132.08064	4.1
134.06024	1.5
135.08034	1.7
135.11610	1.1
142.06477	1.3
144.08060	4.4
146.05969	14.8
156.08069	12.4
157.07585	2.7
158.05986	84.5
159.06358	4.4
160.07564	9.9
168.08034	5.2
169.07603	3.5
169.15839	3.0
172.07530	3.9
173.08328	4.1
174.09108	3.7
175.08652	6.4
176.07053	1.5
183.09108	8.3
184.07539	9.6
185.07065	80.9
185.10670	4.7
186.05490	2.3
186.07382	3.5
186.09048	2.1
187.08606	2.4
198.09035	1.4
201.10185	57.8
202.08690	1.7
202.10449	2.1
203.08095	2.3
204.06418	1.7
211.08691	2.2
212.20052	1.6
213.06598	12.9
224.20131	1.6
229.09689	43.7
230.10129	2.0
231.07599	100.0
232.07973	3.7
247.10741	52.8
248.10979	2.0
268.18991	1.7
270.20624	1.7
289.22229	1.2
324.23120	8.1
342.24194	8.3
351.24417	2.4
353.25729	2.4
369.25262	3.9
397.24738	18.5
398.25070	1.9
415.25803	52.5
416.26065	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	415.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	6.7
69.07050	13.5
70.02942	10.9
70.06570	10.5
70.28556	3.5
70.80708	6.7
70.81054	4.7
71.05000	3.8
81.03384	6.9
82.02924	5.8
83.04939	4.1
85.02886	12.4
86.09686	35.2
87.05566	8.3
89.06023	26.9
91.05791	5.8
97.02875	9.8
97.03981	6.2
98.02374	6.0
99.04447	4.0
101.06038	3.9
103.05431	3.7
109.03157	17.2
109.06544	2.9
110.02399	8.5
120.08088	27.5
124.04001	3.9
124.05042	5.0
125.03445	14.1
126.06645	6.2
127.03889	13.0
129.30565	3.0
135.04454	3.6
135.06470	4.4
136.56017	3.1
142.06126	9.1
145.04974	3.3
148.39981	3.2
152.04538	25.6
163.03871	14.3
166.08618	28.4
170.05571	7.5
179.05664	5.1
210.12366	3.8
234.07420	3.6
237.02725	4.6
238.11746	10.8
249.06232	6.6
256.12897	11.5
266.08792	7.1
284.09717	5.3
284.12299	23.1
301.15140	7.3
317.12134	6.6
332.89972	3.7
335.13589	4.5
362.14651	6.5
363.12900	8.2
397.18286	3.5
415.09866	100.0
416.10132	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	414.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06102	0.3
67.05511	0.3
69.03419	0.6
70.06567	0.8
70.11179	1.7
79.05480	2.9
84.08145	0.3
85.02898	0.9
85.06503	0.3
86.09689	0.6
87.04430	0.3
90.47807	0.2
92.98083	0.3
95.04935	0.8
97.02857	0.4
103.05470	1.6
103.07570	0.4
105.07008	100.0
106.07347	2.7
109.02847	0.3
109.31840	0.2
122.09643	59.9
123.04437	0.4
123.09976	1.4
127.03890	0.6
129.39435	0.3
131.08093	0.4
137.05983	0.3
146.09624	0.3
161.13150	0.3
163.03873	1.1
166.08675	0.3
168.04005	0.4
181.04916	0.4
207.75351	0.3
222.07584	0.3
255.52519	0.2
284.21246	0.3
290.42783	0.3
396.12720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.05499	0.7
56.96553	0.7
57.03428	0.8
57.07067	9.5
57.31836	0.3
65.03933	0.5
67.05494	3.8
68.05022	2.2
69.07066	1.9
70.02944	12.1
70.06548	0.4
71.08242	0.9
71.08620	13.4
72.24200	0.4
79.05464	0.6
80.05007	3.5
81.03405	0.7
81.06605	0.6
81.07045	9.3
82.06562	0.7
83.08613	0.5
84.04497	2.6
85.02886	2.6
85.06500	0.6
85.10171	7.5
93.07031	0.8
94.58686	0.4
95.04930	0.8
95.08591	10.5
97.10134	0.5
98.21412	0.8
102.05526	1.0
105.07047	0.8
107.04968	0.5
107.08572	0.7
108.04465	16.9
109.10123	0.6
110.54893	0.5
114.05516	1.6
119.08585	1.9
122.06020	0.7
126.05485	3.8
130.04944	1.1
136.03918	19.4
137.04248	0.5
137.13226	1.2
140.03322	0.6
141.79553	0.4
154.04965	21.4
155.05229	0.5
155.14328	2.1
161.13165	0.5
164.03497	0.8
172.06044	1.2
182.04465	35.7
183.04854	1.1
197.15289	0.4
200.05510	16.6
210.04016	0.7
224.16512	0.5
228.04898	1.1
244.16777	0.5
260.07681	3.8
262.17816	0.6
267.09018	0.8
269.10706	0.7
285.10187	0.9
290.17630	0.5
308.18634	0.5
336.18030	5.0
336.21594	0.9
340.15399	0.7
342.26489	0.4
354.19052	100.0
355.19427	6.2
367.17996	0.4
368.59885	0.5
414.21085	2.7
414.28778	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
57.03437	1.3
57.91880	1.1
61.02911	2.0
69.03416	9.4
69.46529	9.5
71.04968	2.7
73.02895	2.4
79.14477	0.9
81.03403	12.6
85.02892	66.6
87.04472	1.0
91.03906	1.2
97.02874	18.1
99.04440	36.2
103.03925	93.1
104.04196	1.5
109.02859	17.0
118.87614	0.9
127.03893	100.0
128.04221	1.2
145.04927	68.2
148.41959	1.1
163.05994	70.5
169.04922	1.7
187.05963	6.1
196.99573	1.1
205.07043	4.1
230.69827	1.0
271.08099	7.8
289.09192	7.6
307.10196	19.4
437.45770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34354	0.7
53.03942	2.7
57.03424	1.5
61.02910	2.6
62.23898	0.8
63.52037	0.7
69.03414	9.6
70.03979	4.1
71.04972	4.5
73.02899	2.6
73.06538	1.6
75.53342	0.7
81.03402	11.5
85.02892	66.4
97.02876	19.1
99.04440	38.0
103.03926	100.0
109.02862	15.3
115.03785	0.9
127.03896	93.2
128.04233	1.7
145.04938	60.8
163.05995	67.3
164.06421	0.9
187.05991	5.5
205.07053	3.0
271.08118	6.1
289.09143	7.2
307.10202	17.2
382.13889	0.9
385.25455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.9
56.05008	2.2
57.07064	11.5
65.03923	0.8
67.05492	5.6
68.05016	3.7
69.03414	0.7
69.07045	2.2
70.02917	1.3
70.06572	1.5
71.08609	5.6
79.05470	0.9
80.04998	1.2
81.07030	4.0
82.06570	3.6
83.08592	2.2
84.04482	3.0
85.10159	4.3
91.05458	2.1
93.07025	1.9
94.06550	1.6
95.04941	0.9
95.08595	7.3
96.04469	2.7
97.10136	1.1
98.06004	1.1
100.03954	4.5
102.05523	2.2
105.07012	1.6
107.08566	1.6
109.06431	0.8
109.10123	5.6
110.10632	0.8
112.07604	3.9
112.66712	0.6
115.05437	2.8
115.08671	0.8
117.05709	1.4
117.06989	2.4
118.06518	33.2
119.08574	1.1
121.10123	0.8
122.78242	0.6
123.08039	1.0
123.11700	1.4
125.09528	0.7
127.11200	1.0
130.06503	32.4
131.06821	0.9
131.08536	0.9
132.08063	11.4
132.09026	0.9
140.94136	0.7
142.06529	4.2
143.07288	2.8
144.04446	0.8
144.08055	21.8
145.10022	0.9
146.05978	74.9
147.06305	2.0
151.07509	1.0
154.06453	1.0
156.08098	1.9
158.09619	7.5
159.09109	4.0
160.07518	1.4
165.05453	0.8
168.08047	10.2
169.07581	23.1
170.05992	9.8
171.09297	0.8
173.13177	0.8
177.08997	1.1
183.17519	1.0
185.10675	2.8
187.12241	1.1
188.07034	50.8
189.07321	1.6
196.07556	0.9
197.11703	1.8
205.08705	1.2
213.10046	0.7
214.08659	3.9
215.08115	67.1
216.08418	2.3
220.20538	1.6
223.09602	2.0
226.21609	17.5
231.11238	6.0
236.20015	2.9
238.21605	6.8
254.15723	7.1
282.20630	2.8
284.22150	11.8
287.16339	1.6
339.34674	0.7
340.26324	6.1
341.26038	1.6
345.20496	1.2
367.27515	1.4
396.25275	1.3
413.27908	100.0
414.28369	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.01856	0.7
55.05492	1.9
56.59902	0.5
57.07063	6.7
67.05495	3.7
68.04993	1.0
69.07057	3.7
69.30662	0.5
70.06564	1.9
71.08617	8.9
74.02427	1.1
77.92175	0.5
79.05480	1.3
79.45282	0.4
80.05004	1.3
81.07036	6.0
82.06567	0.9
82.85798	0.5
83.08595	0.9
84.04490	2.4
85.02882	3.0
85.10170	5.0
91.05437	1.5
93.07008	2.2
95.04935	1.1
95.08601	6.4
96.04484	1.0
97.06481	0.7
97.19958	0.5
105.03376	0.7
105.07001	1.2
106.06538	0.6
107.08566	1.3
109.10105	0.6
110.06009	1.3
112.03875	0.6
115.05447	0.6
115.08673	1.2
115.70882	0.5
117.05778	0.6
117.06995	1.3
118.06522	14.4
119.08571	1.0
121.10067	0.7
122.05975	1.0
123.11694	0.7
124.03933	0.6
124.07597	0.6
129.06982	0.6
130.06506	44.0
131.06902	0.5
131.08551	0.7
132.08086	2.8
133.10033	1.0
135.11665	1.0
137.13210	0.5
142.04987	1.2
142.06564	1.4
143.07301	1.5
144.08061	23.7
146.05981	29.1
149.13263	0.5
154.06494	1.3
155.14256	2.4
156.08037	1.4
157.10071	0.5
158.09634	1.4
159.09149	2.2
167.07275	2.1
168.06677	0.8
168.08055	13.0
169.07568	3.8
170.05945	4.2
170.09659	1.5
180.08026	6.0
181.07573	1.5
182.08369	1.8
182.09726	1.1
184.07532	4.1
186.09126	5.0
188.07028	12.9
195.09160	7.3
196.07527	2.6
196.09595	1.2
197.10681	3.4
205.08635	0.8
206.08243	1.1
207.09209	1.3
208.07552	0.9
213.06560	1.6
214.08592	0.5
215.08138	3.8
220.09842	0.8
222.18364	0.7
223.08426	3.3
224.07077	2.7
226.18065	0.8
240.08897	1.2
241.09671	5.6
242.08249	0.8
250.09872	0.6
259.10760	6.2
265.12146	1.1
266.17514	1.4
278.21716	0.6
284.18509	1.7
287.16364	0.9
294.21945	0.6
311.08252	0.4
312.23138	1.5
322.21594	3.8
323.21118	1.3
333.23309	2.3
333.27090	0.5
334.21503	2.9
336.21860	1.6
340.22614	10.5
341.22711	0.7
345.20688	0.8
349.22675	5.4
351.24246	12.4
377.22095	2.5
393.44238	0.5
395.23239	100.0
396.15656	0.7
396.23685	5.3
413.18842	1.1
413.24091	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	413.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.05507	0.7
56.05024	2.4
57.04534	1.4
57.05444	0.4
57.07056	1.7
60.04518	4.1
60.05638	8.5
60.89684	0.5
64.18829	0.5
67.05492	1.6
69.03423	0.9
69.04520	1.2
69.07056	1.6
70.02941	1.5
70.06586	0.6
71.08616	2.5
73.02913	1.1
79.05466	0.6
81.03410	0.9
81.07044	3.1
81.61333	0.6
83.04960	0.9
84.04496	0.6
84.05621	6.1
85.04013	6.0
85.10157	1.3
86.03530	2.4
88.05122	0.6
91.05460	0.7
93.04495	1.1
93.07035	1.1
95.08618	2.8
96.04474	1.9
96.28519	0.6
98.21372	1.2
102.06646	1.0
105.03365	0.7
105.07003	0.7
107.08576	0.6
109.05108	1.5
110.02323	0.5
110.03515	1.0
111.01871	0.9
111.05647	0.6
112.03876	0.6
112.07554	0.9
113.03474	8.6
114.01876	4.5
121.03984	1.4
122.02360	0.5
126.05488	0.8
127.05050	0.7
127.06133	1.7
128.03430	3.0
128.04552	1.7
131.04485	1.1
133.10101	0.6
137.04561	0.8
139.05031	1.6
140.03383	1.1
141.02930	1.3
149.03438	0.9
150.01837	0.9
153.06544	1.4
154.04948	3.3
155.04485	2.8
155.05644	1.9
155.14270	0.9
156.02881	1.6
156.04060	1.0
157.06015	0.5
160.05888	1.0
167.04512	2.8
168.02902	1.4
170.05548	0.6
173.05560	35.5
174.05739	0.6
181.06015	1.5
182.04353	2.4
183.05125	1.0
185.05556	1.4
191.05617	0.6
197.04997	0.8
197.06683	9.4
198.05130	0.8
199.07039	2.5
199.16948	2.1
200.05460	0.8
205.08633	0.7
209.06653	0.9
215.07718	38.1
216.07870	0.7
217.08253	0.7
223.09721	1.1
225.14870	0.6
233.09180	0.5
241.09282	1.1
259.12830	0.8
266.21173	0.7
266.25644	0.5
287.16537	0.7
307.20102	0.6
345.20422	0.6
371.21567	2.8
390.08737	0.6
395.22614	0.8
413.23883	100.0
414.24280	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	413.141
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05026	0.5
66.16148	0.2
69.03409	0.5
70.06561	0.4
71.31277	0.4
71.31598	0.3
74.06072	1.9
81.03384	0.4
85.02876	0.9
97.02899	0.5
102.05527	1.4
103.03935	0.6
109.30716	0.3
119.03541	2.1
120.06565	7.9
123.85251	0.3
127.03867	1.0
127.44003	0.3
128.04228	0.4
131.90202	0.3
136.06165	100.0
137.04604	1.9
137.06659	1.4
145.04959	0.3
162.04088	61.1
163.04242	1.2
163.05710	0.4
177.05414	0.5
179.03464	0.3
181.82179	0.3
223.09573	0.6
233.15402	0.3
268.10345	0.8
281.09891	57.5
282.10291	1.9
285.25302	0.3
294.08304	0.6
345.20386	0.4
413.14124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	9.2
69.07016	6.0
71.80704	6.6
71.81076	7.5
81.03403	9.1
81.07056	9.1
93.07027	6.8
95.08601	7.0
97.02853	4.9
105.03397	6.1
105.06960	5.6
125.23540	4.6
129.06952	8.0
131.08574	12.0
132.98259	5.9
137.06030	6.3
141.06989	4.9
152.06174	11.7
156.02896	5.0
157.06439	9.9
157.10117	7.6
159.08049	7.5
165.05632	6.7
165.07008	16.8
167.08554	30.2
169.06419	6.4
172.51219	5.1
173.05591	15.1
174.06845	5.0
175.07515	13.6
184.05212	5.4
185.68916	5.2
189.09111	12.9
195.08035	100.0
196.08377	7.1
199.07549	40.6
200.08093	7.1
201.09076	10.7
205.00551	4.8
205.08540	6.2
209.09608	6.8
212.08362	5.4
213.09131	5.9
215.07741	19.6
215.10741	15.4
217.12209	21.5
219.10159	38.8
223.09610	6.0
227.10619	40.2
245.11726	19.2
271.09723	6.8
284.77179	5.9
289.10663	20.1
364.91617	4.9
413.23557	97.4
414.22864	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	412.2451
Annotation	1-Decanoyllysolecithin
Peak:m/z	Relative Intensity
55.05486	0.4
56.05014	1.0
57.03414	1.2
57.07067	2.6
58.06576	1.8
59.07412	0.4
60.08153	13.7
67.05482	0.9
69.07050	0.9
69.72112	0.8
69.72518	2.7
70.06571	0.6
71.07358	5.1
71.08612	3.7
81.07032	3.2
84.04499	0.4
84.08138	0.4
85.10162	1.8
86.09690	42.2
89.06076	0.4
95.08620	2.4
98.98457	2.9
104.10723	100.0
105.03373	3.1
105.11060	1.1
109.10121	0.5
121.02809	0.4
124.99982	24.9
129.10110	0.4
154.07062	0.4
155.14262	1.0
160.06018	0.6
163.01567	0.9
184.07314	93.8
185.07596	0.7
196.64441	0.4
203.08589	0.6
218.07191	0.8
219.08194	0.6
221.09477	0.5
229.17953	5.1
234.10280	1.8
235.07510	1.7
250.09914	2.7
258.11081	1.1
265.12259	4.0
269.43924	0.4
280.67551	0.5
335.16080	0.7
344.19510	0.7
352.94476	0.5
354.05627	0.5
369.06223	0.7
394.23453	9.4
395.23978	0.4
396.15894	1.3
397.05838	0.5
412.24509	35.3
413.18445	3.1
413.24820	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2838
Annotation	Ridleyamide
Peak:m/z	Relative Intensity
50.00422	0.3
51.75603	0.3
55.05481	0.4
57.03419	0.4
57.07053	0.8
67.05481	1.3
69.07051	1.0
69.58082	2.5
69.58516	1.4
71.08620	1.0
75.91203	0.4
79.05474	0.9
80.04986	1.1
81.07032	1.7
82.06577	0.5
91.05461	9.1
93.07018	0.5
94.06551	0.4
95.08586	1.4
103.05405	1.0
105.03366	1.4
105.07011	4.4
107.04951	0.6
107.08586	0.8
108.04444	0.7
109.05240	2.0
109.06470	1.0
110.06007	0.6
115.05432	1.0
116.06197	1.7
117.06998	0.6
119.04899	1.2
120.08093	0.6
121.06521	0.6
122.05992	2.9
123.04400	6.3
125.88448	0.4
128.06180	0.6
129.06967	1.8
131.04886	2.1
131.08542	26.7
132.08905	0.8
133.06465	2.1
133.10112	1.8
137.05956	3.2
141.06950	2.3
143.08566	0.6
144.05670	3.4
145.06416	0.9
148.05118	0.6
149.05952	1.7
149.09584	0.5
151.07500	5.4
159.08026	22.8
160.08408	0.8
161.05798	0.4
161.09567	1.4
162.06758	1.1
163.07509	1.2
169.07610	0.6
175.07547	0.5
177.09064	12.9
177.10536	0.8
178.09512	0.7
179.09111	0.3
179.10635	9.0
192.10155	1.6
228.10075	0.5
234.18507	5.9
236.20047	26.5
237.20345	1.3
253.19022	0.4
256.12970	0.4
258.14957	0.4
265.12732	0.4
271.11920	0.6
321.27411	0.4
328.45850	0.4
338.76538	0.4
344.19482	0.5
393.45892	0.5
412.28384	100.0
413.28854	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	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.05494	2.7
57.03408	2.3
61.02908	2.2
67.05476	3.4
69.03415	9.3
69.07051	2.3
70.10319	6.7
71.04986	3.0
72.08170	1.3
73.02890	2.7
81.03408	11.7
81.07048	10.5
85.02887	68.3
85.06488	1.3
85.30699	1.4
86.03252	1.5
87.04482	1.3
87.38108	1.3
91.05453	1.1
95.08591	11.7
97.02864	18.1
97.06506	2.5
98.20750	1.8
99.04433	35.4
103.03923	93.7
105.03400	1.4
109.02859	15.3
119.16396	1.2
120.08080	2.5
127.03890	100.0
128.04254	2.0
137.13234	10.9
139.33960	1.2
145.03799	2.9
145.04941	58.8
155.14279	21.0
161.13277	2.1
163.05986	56.7
179.14308	1.8
187.05971	4.5
205.07036	4.1
215.16399	11.5
216.44905	1.4
253.07106	1.3
271.08026	8.4
275.14948	1.2
289.09125	4.7
307.10211	9.8
309.55389	1.2
377.17880	2.3
412.20126	9.7
413.12311	2.2
413.21320	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.05482	1.7
57.03420	1.9
60.96267	0.7
61.02922	2.0
67.05503	4.7
69.03423	9.5
69.07049	2.7
70.20001	4.6
71.04976	2.9
73.02906	1.9
79.05464	1.3
81.03403	11.1
81.07044	12.4
83.04951	1.5
83.08584	1.3
85.02895	62.7
85.14214	0.9
86.03246	0.8
87.04453	1.1
91.05444	1.3
92.81924	0.9
93.07039	1.4
95.04943	1.0
95.08068	1.2
95.08599	14.1
97.02872	19.0
97.06467	1.5
99.04443	33.7
103.03930	88.9
104.04261	1.5
105.07044	1.0
107.08577	0.9
109.02866	16.0
111.04360	0.9
119.08537	1.5
120.08070	2.6
124.03848	0.7
127.03897	100.0
128.04228	1.4
133.10211	1.1
137.13232	14.8
145.04945	55.1
155.14299	24.3
158.54245	0.9
161.13234	3.0
163.05995	57.9
164.06297	1.3
173.11745	0.9
178.14310	0.8
179.14395	2.2
187.06047	5.7
197.15285	2.0
205.07076	3.8
215.16396	14.6
233.17418	1.7
253.06961	2.0
271.08029	7.5
289.09109	6.5
301.48666	0.8
307.10260	11.5
309.51627	0.8
315.66904	0.9
377.17926	2.9
400.95157	1.0
412.20239	9.2
413.12653	1.2
413.21332	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.6
69.03427	2.6
69.07050	1.0
69.80658	4.2
70.37093	0.6
71.04599	1.2
71.04977	18.5
81.07030	0.6
84.08121	0.7
85.02886	3.6
85.06533	0.7
86.09698	1.3
91.05482	0.5
93.07010	1.1
95.04948	15.0
95.08574	1.9
96.76773	0.5
97.02881	0.8
99.08118	0.8
107.04937	0.9
107.08569	1.0
109.02853	0.9
109.10127	4.0
117.05500	1.1
119.08558	2.6
124.24429	0.5
127.07523	5.3
127.11172	13.2
134.38583	0.6
137.02336	0.8
137.09610	3.9
139.11159	2.0
145.04956	0.6
147.04407	1.6
147.07996	1.4
155.10625	4.6
161.02357	0.5
161.09676	0.5
165.01816	2.0
165.09097	3.9
166.07236	1.3
179.10551	0.9
183.10071	0.7
184.07275	2.0
197.11688	21.2
198.12073	0.6
215.12749	100.0
216.13014	3.4
247.81331	0.5
250.12251	0.9
295.06003	0.6
299.05463	8.4
339.08517	2.3
365.06482	2.6
367.08047	0.6
377.06226	0.8
383.07486	1.0
395.07452	2.4
412.20255	4.5
413.08539	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.05511	2.3
57.03418	1.7
61.02912	2.8
67.05496	2.2
69.03413	12.0
69.07062	1.4
69.92743	4.3
69.93174	4.3
70.06585	1.9
71.04971	3.3
72.97922	1.2
73.02903	2.4
79.05483	2.1
81.03410	10.4
81.07033	2.2
83.08578	1.2
85.02891	69.2
86.09724	2.0
87.00761	1.2
91.05460	1.4
93.07048	1.9
95.08577	1.2
97.02863	15.5
97.06495	1.5
99.04436	37.5
99.35069	1.2
100.07634	2.3
100.10671	1.2
100.11253	4.4
103.03923	99.7
105.06991	3.1
107.08590	3.7
109.02863	14.8
111.04420	2.7
115.03959	1.3
116.07327	1.3
119.08608	1.9
121.10157	1.7
127.03891	100.0
128.04286	1.5
128.87038	1.1
129.99135	1.1
137.09618	2.0
145.04936	54.1
145.10065	1.1
146.16196	1.1
151.03902	1.5
153.09102	2.4
163.05995	66.4
163.61128	1.3
176.11519	1.4
182.15344	2.2
187.05994	5.9
205.07072	3.4
210.14833	3.0
257.23935	1.6
271.08102	6.9
276.24228	1.3
289.09167	6.6
307.10236	12.2
344.19370	1.7
377.18060	2.1
412.19977	3.3
413.12286	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	412.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
54.87282	1.1
55.01858	1.3
55.05497	1.9
57.03415	2.9
58.87657	1.2
61.02922	3.4
67.05475	1.4
69.03416	14.3
69.07060	1.7
71.04980	5.7
71.78266	2.3
73.02901	4.3
81.03407	13.5
83.04967	1.6
84.04463	1.4
84.08128	2.2
85.02888	62.6
86.09689	1.8
87.04473	1.9
89.06046	2.0
91.03950	1.4
93.07050	1.3
95.04938	1.9
95.08573	1.3
97.02873	34.5
97.03452	2.3
99.04440	40.2
103.03926	72.9
105.07015	1.7
109.02862	18.4
111.04414	2.0
116.07093	1.3
117.05465	1.8
118.50126	1.2
120.06544	2.1
120.08155	1.4
123.04405	2.0
127.03893	100.0
128.04222	1.7
132.04433	1.5
135.04436	1.4
136.06161	20.8
137.05911	1.9
139.07454	1.2
145.04927	52.3
147.04388	1.6
150.05493	5.6
152.07057	1.7
155.07039	1.7
162.04094	13.9
162.09184	1.2
163.03931	2.6
163.05995	46.5
167.07002	1.7
178.04933	2.2
179.03435	1.2
181.54128	1.1
187.06006	3.8
196.06094	1.5
197.08119	4.4
201.43124	1.2
205.07033	2.0
210.56215	1.2
215.09154	2.4
220.06000	3.9
223.09554	1.3
224.10109	1.2
253.07098	2.2
271.08093	11.9
281.09888	13.4
289.09125	8.1
307.10223	7.0
328.42587	1.2
341.12552	1.6
344.19229	2.5
412.11880	3.5
412.20111	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2637
Annotation	Tilorone
Peak:m/z	Relative Intensity
53.03934	0.2
55.05505	1.3
57.07062	0.6
67.05490	0.4
68.05014	0.2
69.07058	1.2
71.08616	0.2
71.18406	0.3
71.18768	0.2
79.05451	0.1
80.04996	0.4
81.04532	0.1
81.07043	0.3
82.06569	0.2
83.08594	0.6
91.05465	0.3
92.04973	0.1
93.05772	0.2
94.05293	0.2
94.06552	0.8
94.07050	0.1
95.04956	0.3
95.06077	2.1
95.08587	0.4
97.10146	0.3
105.03376	3.3
106.06528	0.2
107.06059	2.1
107.08582	0.2
109.10131	0.2
111.05609	0.3
121.06767	0.2
121.07600	1.2
121.87642	0.1
130.06496	0.3
132.04410	0.4
135.05516	0.2
135.09151	1.0
144.08127	0.1
146.05989	0.4
149.10716	0.8
158.05968	0.3
163.12305	0.4
168.08061	0.2
169.07578	0.7
170.05977	0.3
172.07616	0.2
173.08357	0.1
177.13763	0.3
181.07594	0.2
182.05951	0.3
182.08272	0.6
184.06227	1.0
184.07675	0.1
185.07076	1.0
186.09109	0.1
186.47794	0.1
195.09128	1.1
196.07573	0.3
197.07094	0.5
198.07813	1.1
198.09293	0.1
199.08612	0.3
205.08771	0.2
207.09206	0.1
209.10646	0.1
211.08624	0.3
212.09276	0.1
218.19084	0.2
223.09723	0.2
225.10197	3.3
226.10512	0.2
233.20064	1.4
237.13803	0.1
239.11743	0.1
261.19489	0.2
270.10019	0.4
283.10721	0.7
284.23877	0.2
312.23111	0.4
324.23343	0.2
325.18115	0.1
338.24210	0.1
339.24249	10.9
340.24594	0.4
343.19012	0.4
349.26355	0.1
365.25769	0.2
411.26352	100.0
412.26672	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2637
Annotation	Tilorone
Peak:m/z	Relative Intensity
55.05505	2.2
57.07030	0.6
58.91931	0.1
67.05464	0.6
69.07062	1.9
70.97393	0.5
73.28521	0.2
79.05471	0.2
79.66944	0.2
81.07036	0.3
83.08609	1.4
93.07028	0.2
94.05250	0.5
94.06519	0.7
95.04913	0.5
95.05538	0.2
95.06087	2.8
95.08578	0.4
97.10122	0.3
105.03380	5.9
106.45305	0.2
107.06066	3.3
107.08540	0.3
111.05511	0.7
121.07615	2.2
123.04256	0.2
130.06476	0.3
133.05167	0.2
133.10120	0.2
135.05574	0.2
135.08231	0.2
135.09135	1.3
143.07265	0.4
146.05933	0.6
149.10715	1.0
156.08046	0.2
158.05930	0.3
163.12234	0.7
169.07573	0.4
170.08344	0.7
177.13786	0.7
181.07527	1.3
182.08388	3.2
183.09056	0.2
184.07542	0.2
185.07028	0.7
191.15378	0.2
195.09126	1.5
196.09853	0.2
197.06947	0.4
198.07841	1.1
199.08659	0.9
205.08627	0.3
209.10680	0.2
211.08665	0.8
221.10690	0.2
223.09596	0.3
225.10136	0.8
226.11006	0.2
233.20145	2.5
234.22218	0.2
253.13376	0.3
261.19647	0.4
271.49911	0.2
303.89035	0.2
321.23163	1.8
322.23856	0.2
325.18042	0.3
339.24271	26.3
340.24588	1.7
343.18817	1.1
354.11163	0.3
382.10364	0.2
382.23297	0.4
393.25131	0.4
397.05621	0.2
408.71155	0.2
411.26367	100.0
412.07867	0.3
412.15250	0.8
412.26663	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2265
Annotation	Lys Thr Tyr
Peak:m/z	Relative Intensity
54.35833	0.4
55.05492	1.4
57.07054	1.5
67.05479	1.3
68.55015	0.4
69.03391	0.5
69.07055	4.4
71.08614	1.9
71.81049	0.6
79.05492	0.4
81.04489	0.5
81.07054	1.4
82.06568	0.5
83.04965	0.4
84.04450	0.4
85.10180	0.6
93.07040	0.7
95.04939	0.9
95.08575	1.3
97.03985	1.0
100.03936	0.4
103.32548	0.4
105.03377	9.4
105.06969	0.5
107.02419	5.5
107.04919	0.5
107.07059	0.4
107.08603	0.4
110.06002	0.7
115.36179	0.4
119.08554	0.5
123.05531	1.5
130.06531	0.6
132.04466	0.4
135.05516	0.5
146.06067	0.8
158.06000	1.3
160.07558	2.8
164.78255	0.4
168.08133	0.5
170.05992	1.7
172.07558	1.3
177.05380	0.4
184.06267	4.4
184.07709	0.6
185.07069	3.5
186.09122	0.8
196.07529	1.2
198.07893	0.4
201.10359	0.4
205.08661	0.7
210.07843	0.8
211.08644	0.6
212.09425	0.6
213.10159	2.4
223.09755	0.5
227.08163	1.2
236.20052	1.0
241.09758	0.5
257.53616	0.4
285.08417	0.5
325.17960	1.4
339.20645	13.4
340.20956	1.1
343.18964	3.1
367.23886	1.3
411.22723	100.0
412.08078	0.9
412.23083	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	411.227
Annotation	Lys Thr Tyr
Peak:m/z	Relative Intensity
51.02371	0.1
52.01880	0.1
53.03933	0.3
54.03450	0.1
55.01856	0.1
55.05259	0.1
55.05501	0.9
56.05018	0.1
57.07064	1.4
57.60450	0.0
58.48820	0.0
65.03915	0.1
67.05490	1.0
68.05007	0.1
68.91237	0.0
69.03403	0.1
69.04549	0.0
69.07053	3.5
70.02939	0.3
70.07371	0.1
71.08616	1.6
72.25473	0.0
77.03918	0.1
79.02954	0.2
79.05450	0.2
80.04990	0.3
81.03394	0.1
81.04513	0.4
81.07040	0.9
82.06565	0.8
83.08592	0.2
84.04485	0.2
85.06501	0.1
85.10159	0.8
87.08080	0.0
87.63651	0.0
91.05438	0.1
92.04991	0.1
93.04519	0.1
93.07008	0.2
94.06557	0.1
95.04948	0.8
95.08584	1.0
96.04469	0.3
96.08130	0.0
96.85277	0.0
97.03994	1.0
97.10139	0.0
100.03960	0.3
104.04949	0.1
105.03366	9.1
105.06995	0.1
106.03724	0.2
106.06537	0.2
107.02415	5.5
107.06063	0.2
107.08549	0.1
108.02754	0.1
108.04463	0.3
109.03978	0.2
109.05271	0.0
109.06468	0.1
109.10135	0.3
110.06014	0.9
110.06744	0.0
111.11650	0.0
115.05410	0.2
117.05751	0.1
117.06995	0.1
118.06522	0.2
119.06044	0.1
120.04437	0.5
120.05289	0.1
120.05580	0.0
121.06471	0.1
121.07587	0.1
121.10071	0.1
122.05992	0.1
122.09668	0.0
123.05527	1.6
124.03940	0.1
124.07590	0.1
125.03445	0.2
130.06496	0.9
131.05981	0.1
132.04413	0.7
132.08064	0.3
133.05223	0.3
133.07541	0.0
133.10103	0.1
134.05986	0.1
135.01871	0.0
135.05518	0.8
135.07977	0.0
136.07541	0.1
137.13223	0.1
139.04994	0.5
142.06519	0.4
143.07277	0.1
143.08499	0.1
144.08025	0.4
145.07536	0.1
146.05994	0.7
147.05495	0.1
147.09123	0.4
149.07072	0.1
150.09126	0.1
151.05080	0.0
153.12663	0.1
154.06441	0.3
155.14262	0.2
156.06799	0.2
156.08072	0.2
157.07585	0.2
158.05989	1.7
158.09621	0.1
159.05449	0.1
159.09158	0.2
160.07544	3.0
161.07896	0.1
161.10699	0.1
162.09132	0.1
163.08626	0.1
167.04457	0.3
167.07272	0.2
168.06799	0.1
168.08047	0.5
169.07585	0.3
170.05971	2.0
171.06389	0.1
171.09264	0.1
171.11453	0.1
172.07544	1.3
173.07971	0.1
173.10701	0.2
174.09140	0.0
181.07484	0.1
182.05968	0.2
182.09969	0.0
183.05447	0.2
183.06892	0.1
183.09128	0.1
184.06253	4.7
185.07056	4.2
185.10629	0.1
186.05708	0.2
186.07378	0.2
186.09120	0.6
187.08583	0.1
188.07005	0.1
193.07576	0.0
193.15761	0.0
195.05447	0.1
195.09154	0.5
196.07541	1.5
196.09511	0.1
197.06873	0.3
198.05482	0.2
198.07684	0.3
198.09396	0.1
199.08592	0.2
200.07130	0.3
201.10176	0.6
206.15327	0.0
208.20566	0.1
210.07794	1.0
210.09540	0.1
211.08566	0.6
212.07019	0.2
212.09357	0.3
213.06569	0.7
213.10162	2.1
214.10512	0.1
216.05287	0.1
221.07095	0.1
221.19130	0.1
222.07642	0.0
223.08466	0.4
224.07028	0.1
225.10144	0.1
226.07307	0.1
227.05852	0.1
227.08090	1.3
227.10194	0.1
228.08270	0.0
229.09703	0.2
233.16452	0.1
234.18379	0.1
235.08667	0.1
236.09433	0.1
236.20021	1.1
237.10265	0.1
238.08614	0.1
239.08160	0.1
239.11812	0.1
241.09706	0.3
253.09615	0.1
254.10420	0.1
257.09235	0.1
261.15967	0.1
267.11124	0.1
284.20047	0.1
285.08679	0.6
286.21481	0.1
298.21576	0.1
299.10123	0.3
308.19885	0.1
311.10291	0.1
311.20981	0.1
312.19476	0.1
314.21008	0.4
324.19562	0.2
325.18106	0.1
326.21036	0.5
338.20688	0.1
339.20605	12.8
340.20926	1.2
343.18994	0.2
349.22723	0.3
350.21133	0.2
365.22195	0.1
367.23721	1.5
368.24084	0.1
411.22672	100.0
412.23016	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	411.1985
Annotation	diflorasone
Peak:m/z	Relative Intensity
51.25726	0.4
53.03921	0.4
55.05497	0.5
57.03434	0.8
69.03386	0.4
69.07043	1.6
69.76537	0.9
69.76952	3.0
70.06558	2.6
70.23727	0.4
71.04995	0.4
71.47366	0.4
74.64680	0.4
81.07024	0.8
83.04961	0.9
85.02847	0.6
93.07005	1.6
95.08583	1.4
98.20660	0.6
105.07038	1.0
107.08553	2.6
109.06500	1.2
109.10138	1.0
111.05540	1.5
119.08546	1.6
120.08057	0.6
121.10131	3.6
123.04418	0.8
123.08049	1.0
125.09611	0.9
127.03929	0.5
131.08586	0.5
133.10115	1.8
135.11671	1.5
137.09566	0.5
157.06085	0.9
161.13229	4.0
163.03896	0.6
179.14275	6.2
201.12427	2.4
203.05231	25.8
204.05722	0.5
205.08589	0.7
205.36703	0.5
219.13611	0.5
223.09744	0.8
240.73090	0.5
243.06155	1.0
259.05756	0.6
325.17874	1.2
343.18964	2.6
381.18765	52.2
382.19147	2.3
393.16995	0.4
406.32236	0.5
411.19846	100.0
412.20242	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1981
Annotation	diflorasone
Peak:m/z	Relative Intensity
57.03407	0.2
65.11964	0.2
67.05471	0.3
69.07056	0.6
70.06570	0.3
71.81403	0.4
81.07042	0.4
83.04996	0.2
84.87121	0.3
85.02888	0.6
86.09687	0.3
95.08608	0.3
99.04424	0.3
100.03350	0.2
105.06984	0.4
107.08579	0.6
109.10131	0.3
116.35915	0.2
121.06473	0.3
127.03896	0.3
133.10019	0.2
135.08051	0.5
136.07689	0.2
137.98903	0.3
149.05901	0.3
153.09097	0.4
163.03827	0.3
164.04494	0.3
173.13278	0.3
185.04068	0.3
188.04588	0.3
192.04082	0.4
201.03690	0.3
203.05193	2.0
203.14214	0.2
205.08456	0.4
223.09540	0.3
231.13597	0.5
249.14754	0.2
252.06166	0.5
259.06174	0.3
273.13266	0.4
279.07245	0.3
325.18005	0.5
343.19049	0.9
347.13354	0.5
351.12338	0.3
351.18622	0.3
365.14444	0.4
393.14114	0.5
411.19827	100.0
412.20212	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	411.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
57.03421	2.5
57.65019	0.6
61.02921	0.9
67.05481	1.0
69.03414	14.3
69.07032	1.9
69.24098	0.7
70.06553	1.4
70.55596	1.6
70.55997	1.3
71.01343	0.7
71.04972	6.9
79.05483	3.5
81.03403	27.2
81.07043	2.2
84.03937	0.7
85.02887	44.4
91.05437	1.3
91.41576	0.7
93.07009	1.6
95.04918	0.8
95.08580	2.0
97.02877	3.6
98.20739	0.8
99.04433	27.4
103.03923	46.8
103.05428	2.5
105.07008	36.9
106.07357	1.0
107.04952	1.1
109.02858	23.1
119.08549	1.7
120.08072	1.5
121.06480	0.9
127.03889	100.0
128.04224	2.6
133.06494	1.8
133.10126	1.7
135.11653	0.8
141.06969	0.7
142.34880	0.8
143.08516	0.7
145.02818	0.9
145.04912	12.2
145.06570	0.7
146.06017	0.9
147.08043	1.1
149.05960	0.8
163.03873	1.0
163.06003	2.1
163.07587	0.7
168.76157	0.7
173.09558	1.1
175.07516	1.0
181.21481	0.8
187.06017	7.1
189.09079	1.0
205.08598	1.2
213.09016	0.8
216.79005	0.7
223.09421	1.2
224.12749	1.2
231.13654	1.2
249.14819	3.9
253.07004	4.4
271.08035	3.6
325.17926	1.8
343.18945	2.8
411.09686	1.0
411.19827	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	4.5
69.03416	10.2
69.07040	10.0
71.78014	3.9
79.05447	4.4
81.03399	6.6
84.08120	4.2
85.02874	14.4
87.04404	4.4
87.54488	4.2
95.17214	3.7
97.02865	4.3
99.04440	9.2
103.03953	5.6
105.07047	4.6
107.08640	5.0
109.02893	6.7
121.06491	12.6
122.36105	4.2
127.03876	24.1
133.10092	4.7
135.04372	5.4
138.00043	4.3
143.01851	6.5
163.03894	30.9
175.92903	4.6
178.89235	4.3
205.08533	6.3
223.09662	10.9
264.18677	4.8
272.92429	5.4
300.24411	5.1
325.17880	10.2
343.18793	28.0
411.06723	100.0
411.11575	7.3
412.07385	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	411.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48154	3.5
57.83152	3.4
70.18192	17.5
92.66598	3.4
98.20714	4.0
100.05879	4.1
100.73082	3.7
112.89613	13.2
114.89360	5.3
150.48865	3.1
192.04352	3.4
193.16997	3.5
194.50114	3.8
205.30539	3.5
234.75528	3.1
235.53531	4.1
237.39935	4.1
311.80356	3.4
411.06699	100.0
412.07260	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	410.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01876	1.2
57.03415	3.4
61.02917	1.4
69.03419	11.0
69.07057	6.6
70.53538	1.5
70.94988	1.6
70.95330	3.0
71.04967	4.9
73.02898	4.4
74.68530	1.0
79.05483	2.2
81.03403	14.2
81.07042	2.1
85.02893	79.5
85.65179	1.2
91.05476	1.5
93.07034	3.2
97.02884	26.4
97.06526	3.7
98.21423	1.5
99.03781	2.1
99.04436	44.5
103.03927	100.0
105.06990	2.6
107.05012	1.9
108.42360	1.1
109.02853	17.7
109.06501	2.0
111.08088	1.8
127.03896	96.9
131.08545	1.5
133.07373	1.2
135.08054	2.1
137.09630	1.2
142.73340	1.4
145.04936	66.1
147.08020	2.4
149.09616	3.5
152.65811	1.2
153.09044	2.9
159.08052	1.8
163.05986	66.0
165.09105	2.7
177.09074	9.9
183.10088	1.6
187.06104	2.5
195.10110	9.5
205.07079	4.5
213.11162	3.0
247.08003	1.7
255.12231	9.1
271.08066	9.3
289.09171	11.1
307.10217	23.2
357.15576	1.6
362.66525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09724	0.1
53.00282	0.1
55.05502	1.0
56.05020	0.6
57.07065	5.7
58.06583	0.3
67.04230	0.1
67.05489	1.2
68.05006	0.3
69.07052	1.2
70.02928	0.3
70.06578	2.6
70.16031	0.7
71.08619	4.5
72.04507	1.3
72.08139	0.3
74.06066	0.6
79.05464	0.5
80.04985	0.4
81.06586	0.2
81.07038	2.5
82.06560	0.5
83.08600	0.4
84.08119	0.4
85.06503	0.2
85.10168	2.3
86.06006	0.2
88.07613	4.6
88.08163	0.2
89.06012	0.1
91.05463	0.1
91.09589	0.1
93.05830	0.1
93.07012	0.4
94.06555	0.3
95.08588	2.5
96.08089	0.2
96.08945	0.1
97.10115	0.2
98.06007	0.7
98.20740	0.2
100.07596	0.9
102.09158	1.3
105.07020	0.5
107.08565	0.2
108.08082	0.4
109.10104	0.3
111.90450	0.1
112.07548	0.1
114.05507	0.2
121.10127	0.2
126.09113	0.9
128.90881	0.1
135.11662	0.2
137.13240	0.2
151.07512	0.7
155.14337	0.2
183.17450	0.1
189.09007	0.3
191.10616	0.3
198.18486	0.3
199.16901	2.3
200.14328	0.2
203.10658	0.2
204.10901	0.3
206.18999	0.6
212.23679	0.6
224.20013	1.1
224.23740	0.3
226.21591	1.5
231.28206	0.1
238.25290	0.4
240.23184	3.9
240.29182	0.1
242.21103	7.4
243.21404	0.4
253.42912	0.2
256.26306	4.4
343.19162	0.3
350.37634	0.8
366.37289	0.3
374.37836	0.1
392.38910	0.8
410.39832	100.0
411.40189	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	409.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01863	6.7
55.05502	11.2
57.03429	4.8
57.06824	0.9
57.07066	12.4
57.38960	0.8
58.07389	0.7
59.04987	0.6
67.05483	3.1
67.60649	0.7
69.07055	24.6
71.08618	10.2
71.28520	0.7
77.64198	0.7
79.05492	0.8
81.03399	8.9
81.07045	5.6
83.08607	16.0
85.10168	6.7
88.09174	0.8
91.05476	1.3
93.07017	2.2
95.04958	1.1
95.08599	7.0
97.02863	0.9
97.10155	11.2
99.04433	0.9
99.11646	1.0
102.70657	0.7
105.06996	1.9
107.08570	1.6
109.02857	15.4
109.10115	5.9
111.08026	0.7
111.11695	5.5
113.05988	0.8
115.03922	6.5
119.08542	1.5
119.78498	0.7
121.06506	1.5
121.10145	1.7
123.04438	1.1
123.08041	1.1
123.11676	2.5
125.13258	2.9
127.03893	100.0
128.04218	1.6
131.08542	0.8
133.10104	1.0
135.07941	0.8
137.05940	0.7
137.13286	1.0
137.41812	0.7
139.14821	1.8
141.05415	5.7
145.04913	0.9
149.09651	1.1
151.11163	1.7
153.05472	0.7
153.16316	0.9
155.07008	1.8
165.09088	1.1
167.07158	0.7
168.06503	1.5
169.08615	4.7
183.10135	12.2
195.10135	4.2
197.11676	5.6
197.77202	0.9
209.11653	2.3
211.13235	4.0
223.13295	2.6
225.14822	3.4
237.14796	3.6
239.16377	6.6
244.57605	0.6
250.89784	0.7
251.16293	3.4
253.17961	8.5
257.04495	0.9
265.17841	4.5
267.19437	4.3
268.19977	0.8
279.19479	3.7
281.21039	2.8
293.21072	2.7
295.22672	2.1
307.22684	2.6
309.24152	4.2
321.24252	2.4
335.15793	0.7
335.25699	2.1
373.30896	1.0
391.32022	37.3
392.32199	3.5
409.33060	16.5
410.33307	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98318	2.2
53.03940	2.2
55.01866	20.0
55.05504	36.1
57.03435	3.2
57.07068	46.3
60.02186	2.1
60.39821	2.2
60.55619	2.0
67.05491	9.7
67.98649	2.2
69.03404	2.4
69.06683	3.7
69.07060	68.9
71.04971	4.1
71.08617	42.4
71.71065	3.6
76.49455	2.0
79.05483	6.6
81.07041	31.8
83.08141	4.0
83.08607	42.1
85.10162	18.4
89.06008	5.9
91.05470	8.5
93.07045	15.6
95.04951	5.8
95.08604	24.3
97.06518	6.5
97.10152	40.1
99.04407	5.4
105.07016	19.0
107.08597	16.3
109.02818	2.9
109.06501	8.7
109.10130	17.0
111.04388	2.9
111.08036	5.3
111.11716	15.7
119.08535	10.6
121.06519	6.9
121.10115	13.1
123.08024	5.8
123.11684	6.2
125.02337	38.9
125.05954	4.0
125.09608	2.8
125.13249	7.4
127.03890	37.2
131.08510	14.0
133.08540	2.9
133.10097	5.3
135.08046	6.9
135.11710	5.1
137.09546	3.3
137.13210	3.2
139.03903	5.0
139.07513	9.6
141.05565	2.3
143.03386	3.6
145.10114	8.9
147.11661	5.7
149.09608	15.0
149.13242	5.9
151.07500	3.7
151.11137	4.6
153.09039	3.3
156.22563	2.1
159.11696	6.1
161.13272	3.3
163.11150	6.9
163.14864	2.3
165.09041	4.4
167.07001	6.6
167.10590	2.2
169.08600	20.1
171.11726	2.3
173.09601	2.9
173.13252	5.1
175.14565	2.8
177.09097	23.8
177.12769	4.1
179.10674	5.8
181.08571	6.5
183.10164	9.5
187.14799	4.9
191.10640	5.0
191.14163	3.6
195.10167	30.3
195.12070	4.2
196.10545	2.7
196.12579	2.6
201.16428	2.8
209.11682	3.6
215.14240	3.2
225.14690	3.2
226.12215	11.9
233.15367	2.7
237.14803	7.0
239.16441	4.2
251.16290	4.6
253.17975	5.3
265.17944	6.5
267.19501	2.8
279.19473	4.9
299.27206	2.5
302.28595	2.8
303.30191	4.1
309.24207	2.4
317.28375	2.7
321.24155	4.8
327.30457	5.8
335.25687	5.1
345.31573	11.5
355.29922	7.4
373.30991	38.0
374.31454	3.0
391.32025	100.0
392.32370	8.8
410.34244	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	409.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.1
55.05504	25.8
57.07065	8.6
57.83221	3.3
59.04979	4.4
65.03920	4.7
67.05490	23.9
69.03411	8.0
69.07054	11.7
70.23454	12.3
70.23865	5.8
71.08643	5.4
79.05467	23.9
81.07043	42.9
83.04964	10.6
83.08595	4.7
85.06514	3.2
91.05466	36.6
93.07030	51.9
93.07574	6.0
95.04951	54.1
95.08586	33.8
97.06499	9.6
105.06320	5.3
105.07015	100.0
107.08578	24.6
109.06484	14.6
109.10125	12.0
115.05453	3.9
117.06998	11.5
118.84483	3.7
119.08569	70.8
121.06492	20.6
121.10131	15.5
123.08035	22.9
123.11697	3.9
128.06183	7.9
129.06958	9.8
130.07697	4.9
131.08540	25.1
133.06465	5.7
133.10110	21.9
135.07999	9.4
137.09576	7.7
141.06987	4.6
141.51649	3.8
142.07753	15.3
143.08542	23.0
143.09456	3.3
143.57164	3.6
145.10114	44.4
147.08023	16.5
147.11664	45.6
149.09584	11.1
151.07521	24.4
155.08502	7.8
156.09343	4.3
156.68759	3.4
157.10129	30.7
159.08046	6.4
159.11679	12.2
161.09567	9.9
163.11148	9.3
165.09105	28.3
167.08557	5.7
168.09305	6.6
169.10100	8.2
171.11633	11.1
173.09569	7.2
173.13225	8.3
175.11194	25.9
177.09071	6.1
181.10103	5.5
183.11659	16.2
185.13257	6.0
187.11176	4.3
187.14746	5.1
189.12796	7.8
191.14273	4.8
195.11745	3.2
199.14841	3.8
201.12651	8.2
203.14189	10.3
207.11870	4.4
207.13791	13.6
209.13356	4.7
209.15282	7.8
211.14784	7.6
213.12816	7.4
219.13802	7.1
221.15306	65.5
229.15839	4.6
234.16096	15.2
243.95235	3.8
259.20627	4.7
287.20041	10.5
300.20935	6.0
329.20972	3.7
383.00436	3.5
391.26172	13.1
409.27307	74.3
409.32483	3.6
410.27771	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78287	1.8
52.69531	1.7
53.03937	3.2
55.05500	19.6
57.03415	2.1
57.07066	11.1
57.07302	2.0
59.04993	2.9
65.03909	2.8
65.30180	2.0
65.38261	1.7
67.05495	18.0
67.89947	1.6
69.03419	9.2
69.07050	14.4
70.24033	10.2
71.04975	3.4
71.08621	2.3
72.90306	1.5
79.05477	24.1
81.03402	2.2
81.07042	37.2
83.04975	4.2
83.08601	3.5
84.08124	2.2
85.06546	3.2
86.09667	6.8
91.05466	36.5
93.07026	45.0
95.04953	54.5
95.08588	29.6
97.06503	7.2
105.07016	100.0
106.07297	2.7
107.04986	3.1
107.08568	22.7
109.06501	11.4
109.10151	9.4
111.08038	2.1
112.11228	14.4
115.05409	3.0
117.07004	14.6
119.08562	60.2
119.93383	1.8
119.94275	1.8
121.06467	17.2
121.10119	18.6
123.08037	16.1
128.06201	4.6
129.06992	7.4
130.07777	3.3
131.08549	23.9
133.06474	2.9
133.10120	17.8
135.08023	12.9
135.11676	6.9
137.09604	7.4
141.07025	2.6
142.07730	12.0
142.08684	3.0
143.08546	17.4
144.09306	5.0
145.06471	2.2
145.10101	37.3
146.10954	2.1
147.08018	16.2
147.11661	45.4
149.09601	12.8
151.07475	14.3
153.06909	2.0
153.09064	3.0
155.08510	8.0
155.09612	2.1
156.09328	5.1
157.10103	24.1
159.08023	4.4
159.11710	16.2
161.09573	10.0
161.13248	7.1
163.11118	3.3
165.07027	2.4
165.09087	33.0
167.08548	3.1
168.09366	4.1
169.10083	11.7
171.11647	8.8
173.09592	6.3
173.13135	8.6
175.11154	33.8
175.14766	2.7
177.09105	4.3
178.09863	3.9
179.08501	2.6
181.10165	6.1
181.12149	3.2
183.11627	11.5
185.13206	6.4
187.11154	5.5
187.14809	3.8
189.12769	5.2
194.10817	2.5
194.16505	1.8
195.11725	5.8
196.12532	2.9
197.13269	3.5
199.11105	3.7
201.12711	9.5
201.16318	3.2
203.06732	1.7
203.14247	12.0
207.11884	2.6
207.13780	7.9
209.13248	4.2
209.15207	3.8
211.11234	2.0
211.14702	4.3
213.12692	4.3
213.16312	2.4
215.14349	3.3
219.13797	5.0
221.15318	65.1
222.15793	2.5
223.14839	2.5
225.12817	2.3
225.16243	3.0
229.15961	4.4
231.13724	4.5
233.15445	4.0
234.16072	19.0
235.16736	2.3
237.73318	1.7
239.13881	16.9
253.15891	2.8
255.17113	6.4
257.04321	2.4
266.24753	8.8
286.19281	4.5
287.19876	9.5
294.24316	2.5
300.20862	5.3
329.21030	7.0
373.25427	2.4
391.26053	6.7
409.26965	52.7
410.27704	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2731
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03926	3.3
55.01856	2.2
55.05502	18.8
57.03422	1.0
57.07063	6.0
59.04985	1.7
60.38361	1.1
65.03918	1.6
67.05492	14.4
69.03423	8.2
69.07054	7.6
70.97421	3.8
71.04959	2.6
71.08622	1.6
77.03922	1.1
79.05482	18.1
81.07044	30.7
83.04964	5.3
83.08582	2.6
85.06534	2.5
91.04902	2.2
91.05462	31.2
93.07029	45.1
95.04949	50.4
95.08591	23.9
97.06517	8.1
103.05432	5.6
105.07013	100.0
106.07339	1.7
107.04974	2.5
107.08578	22.8
109.06506	11.0
109.10132	7.5
111.08098	2.5
112.11250	1.7
115.05449	2.6
117.07001	10.7
118.07745	1.2
119.04933	3.5
119.08563	56.1
120.09400	1.6
121.06488	15.1
121.10124	17.0
123.08044	15.6
123.11683	2.3
125.09641	2.2
128.06200	2.6
129.07034	7.5
130.07744	4.7
131.08549	22.3
132.09311	2.1
133.06468	3.8
133.10124	17.4
135.08040	12.0
135.11679	4.4
137.09608	6.8
141.06973	3.2
142.07751	10.9
143.08568	16.7
144.09317	4.8
145.06429	2.3
145.10109	35.4
147.08041	14.7
147.11655	36.3
148.12007	1.9
149.06152	1.2
149.09601	12.5
151.07521	13.9
153.06996	1.7
153.09099	2.3
153.71333	1.1
154.07780	2.0
155.08537	7.9
156.09332	5.5
157.10104	20.4
158.10846	1.6
159.08008	5.5
159.11642	13.0
161.09622	6.9
161.13203	4.8
163.11157	5.7
165.07008	1.5
165.09093	27.9
165.10406	2.3
167.08578	2.1
167.10617	1.4
168.09285	2.6
169.10075	7.9
170.10852	3.0
171.11676	10.1
172.08733	1.9
173.09607	5.1
173.13234	7.1
175.11151	29.9
175.14771	2.2
176.11513	1.4
177.09096	3.5
178.09995	1.7
179.08487	2.4
181.10091	4.4
182.10822	1.8
183.11633	9.8
185.09566	1.5
185.13234	4.0
187.11136	4.6
187.14812	3.3
189.12712	4.7
189.16229	1.3
191.14255	2.7
193.10010	2.2
195.11647	3.3
196.12468	2.1
197.13303	3.5
199.11188	3.4
199.14755	2.0
201.12682	10.0
201.16408	1.9
203.14305	12.2
207.11784	2.5
207.13754	5.9
209.13225	4.9
209.15321	3.8
211.11067	1.2
211.14854	4.4
213.12726	2.0
215.14307	3.3
216.14990	2.5
219.13741	6.4
221.13370	2.8
221.15320	70.4
222.15688	2.9
223.14787	2.5
225.16286	2.4
227.14253	2.4
229.15863	4.5
231.13579	2.2
233.15419	2.9
234.16096	19.1
239.14069	2.0
253.15787	1.9
255.17236	1.7
257.04312	1.4
281.18927	1.6
286.19150	2.9
287.20126	6.4
300.20755	6.4
329.20993	4.9
391.26093	8.4
392.31503	2.4
409.09253	1.6
409.27274	55.1
409.32758	2.6
410.27396	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0912
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
61.35748	0.4
67.05466	0.7
69.03415	0.6
69.67466	2.7
70.06560	0.4
81.03353	0.5
81.07050	0.7
84.08047	0.3
85.02870	0.5
85.06495	0.5
91.05433	1.2
93.16873	0.4
93.43198	0.3
95.04921	0.7
95.08548	0.5
97.06482	1.5
105.06991	0.5
107.08592	0.4
109.10172	0.4
111.04403	0.6
117.06995	0.4
119.04917	2.6
121.10099	0.5
123.04401	5.7
133.10091	0.5
136.07553	0.5
139.03864	0.4
147.04379	6.7
161.05902	0.6
165.05371	0.5
177.05518	0.4
181.76079	0.4
187.03891	0.9
201.05414	1.0
203.03378	7.3
211.13275	0.5
212.13553	0.7
213.05392	0.9
215.03127	0.4
215.07068	0.4
216.07339	0.5
217.07666	0.5
229.04913	10.4
229.07181	0.6
230.05522	0.6
235.09503	0.7
241.04951	1.1
245.04408	16.9
246.04959	0.5
248.94800	0.3
257.04401	100.0
258.04944	5.6
259.05856	0.6
267.94827	0.3
269.04407	1.0
271.06021	1.6
279.06415	0.4
287.05463	7.7
323.05679	0.4
336.99725	0.4
365.10587	0.6
391.08203	1.0
409.09109	53.6
409.18164	3.9
409.26865	0.7
410.09515	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77529	0.6
55.05501	3.6
57.03433	0.7
57.07058	1.1
59.04980	0.9
67.05492	3.6
68.08125	0.6
68.99540	0.7
69.03411	1.5
69.07055	10.7
69.92721	3.8
71.04984	4.4
72.76939	0.7
79.05477	2.4
81.03402	1.2
81.07047	8.7
83.08600	5.3
85.02893	5.4
85.06532	2.2
91.05441	1.7
93.07030	8.0
95.08599	12.3
96.64059	0.7
97.02855	1.4
97.06506	9.3
99.04428	2.9
99.08075	1.3
105.07000	5.5
105.25614	0.7
107.06735	0.7
107.08573	10.6
109.06504	4.7
109.10136	19.7
111.08057	1.5
111.11685	1.2
115.07552	5.1
119.08557	12.2
121.10123	8.0
123.08044	5.5
123.11685	10.9
125.09586	1.3
127.03882	1.1
127.11149	2.4
133.10112	25.1
135.11674	24.6
137.09621	4.4
137.13193	0.8
139.11253	0.7
141.09052	0.7
141.12662	1.6
142.10155	0.7
145.04909	0.9
147.11641	2.1
149.13228	9.7
151.11200	0.8
151.14772	1.3
153.12717	2.7
155.10616	1.4
175.14804	39.9
176.15134	1.5
177.16307	2.9
191.83585	0.7
193.15852	44.3
194.16211	1.6
209.15349	1.1
211.16896	100.0
212.17239	4.9
229.04927	0.7
257.04407	4.3
409.09085	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72910	1.6
55.05495	7.7
56.83303	1.5
57.07064	2.5
59.04971	2.0
59.70947	1.7
60.37069	1.6
65.96441	1.6
67.05499	12.6
69.03419	4.0
69.07050	26.5
69.83289	4.3
69.83712	7.4
71.04977	19.6
72.52802	1.6
79.05459	5.4
81.03391	2.6
81.07038	19.0
83.04955	5.0
83.08601	15.9
85.02891	12.6
85.06522	5.4
91.05478	5.8
93.07029	14.0
95.04913	5.3
95.08596	32.8
97.02869	2.6
97.06506	10.1
97.10169	3.0
99.04441	31.4
105.03346	2.4
105.07020	10.9
107.08562	25.1
108.00323	1.5
109.02872	3.3
109.06470	4.6
109.10138	54.3
110.10471	2.0
111.04460	1.6
111.11695	7.1
113.05978	5.0
113.09610	3.3
115.07535	7.4
119.08576	16.1
121.02853	3.8
121.06494	2.9
121.10106	16.0
123.04401	2.2
123.08060	4.2
123.11684	13.6
125.09599	3.8
125.88179	1.7
127.03934	3.7
127.11172	9.8
133.10110	26.4
135.10727	2.8
135.11664	32.8
137.09569	5.0
141.12662	2.6
145.04955	5.3
147.11694	2.9
149.13220	3.1
151.11165	7.5
151.14760	4.6
153.12746	5.3
153.56000	1.6
165.16406	2.5
169.12215	4.0
175.07452	2.0
175.14799	50.1
176.15210	3.8
177.16347	6.2
179.72696	1.7
193.15855	87.5
194.16135	3.1
201.08931	2.7
211.16895	100.0
212.17166	5.1
229.04851	4.1
245.04405	4.6
247.09612	4.1
257.04419	21.3
319.18933	2.0
355.20972	3.1
409.09128	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	408.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44336	1.2
68.37354	1.1
71.13315	2.7
71.13663	2.2
119.01897	3.8
137.02953	3.0
143.23137	1.3
156.97400	1.3
177.00949	14.3
178.00984	1.7
197.00613	2.3
217.04041	3.6
219.01971	26.3
220.02077	2.4
225.01035	3.4
243.01988	6.7
259.99835	1.2
261.03027	100.0
262.03183	11.2
263.02823	1.8
284.01224	1.4
284.04636	4.9
290.44727	1.4
301.00964	2.2
361.27914	2.4
367.02225	2.9
385.03134	18.3
386.03143	4.5
403.04279	21.5
404.04178	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	408.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
55.05487	3.6
59.04987	1.7
60.36821	1.4
67.05488	3.8
69.03418	3.0
69.07053	13.3
70.96613	4.7
70.96985	1.8
71.04994	7.4
79.05471	3.9
81.07042	8.2
83.08601	8.0
85.02892	6.6
85.06533	1.7
90.79342	1.5
91.05470	1.6
93.07026	8.2
95.04964	4.2
95.08588	19.8
97.02882	1.7
97.06514	14.2
99.04420	4.8
105.07001	6.2
107.08563	14.2
109.06516	7.6
109.10147	21.6
111.08072	1.7
111.92551	1.6
113.37460	1.5
115.07555	8.2
119.08561	13.2
119.56115	1.5
121.10103	6.5
123.08023	5.1
123.11653	8.6
127.03883	1.6
127.11211	1.6
133.10109	35.3
134.10484	1.8
135.11679	28.2
137.09570	4.3
145.04807	1.7
147.11690	2.4
148.69667	1.4
149.13246	12.7
153.12724	2.6
175.14795	59.1
176.15181	2.0
177.16359	5.6
193.15852	65.0
194.16162	1.9
211.16899	100.0
212.17261	5.0
257.04431	3.9
398.43848	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.3
57.07064	25.2
67.05482	12.0
67.86337	3.5
69.07062	29.2
71.08620	16.4
71.76186	7.0
81.07044	33.6
83.08592	20.8
85.10171	7.5
89.06013	14.5
91.05456	9.3
93.07013	10.9
95.04977	4.6
95.08584	45.4
97.10139	11.3
99.04433	83.9
100.04745	3.8
105.06985	12.3
107.08579	12.4
109.06474	5.4
109.10125	14.9
111.11677	6.5
113.06009	4.1
119.08559	10.1
121.06516	5.0
121.10102	6.4
123.11659	8.4
125.05969	100.0
125.06866	5.6
131.08521	4.2
133.08623	5.2
133.10106	12.5
135.11650	3.8
137.05913	5.4
137.13200	3.9
139.07503	3.3
145.10068	7.1
147.11662	6.0
156.09233	4.1
159.11714	5.3
161.13214	4.8
163.07701	3.5
165.12730	5.5
171.11739	3.4
173.13217	4.0
175.11139	8.3
175.14899	4.1
177.11209	4.8
193.12280	4.7
195.12195	14.8
195.13806	3.3
198.40459	3.1
202.29393	3.5
253.18028	5.7
266.61938	3.9
371.32938	9.6
389.28967	4.2
389.34030	86.6
389.38818	6.7
390.34317	12.1
407.26035	7.1
407.35425	36.0
408.42041	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	407.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50061	0.7
55.05492	3.3
56.67091	0.7
57.00692	0.7
57.06835	0.7
57.07069	10.3
65.03926	0.9
67.05481	2.9
68.25302	0.8
69.07061	18.4
71.08232	0.9
71.08618	14.2
71.79471	1.4
71.79861	0.8
75.22750	0.6
79.05476	0.8
81.07023	2.3
83.08594	1.1
85.10149	0.9
89.06012	2.4
91.05502	1.1
93.07010	1.9
95.04992	1.1
95.08597	3.3
104.50864	0.7
105.06999	2.8
107.08557	1.1
109.06493	1.0
109.10112	0.7
111.08046	0.7
111.11707	6.4
111.50415	0.9
113.13287	1.2
119.08539	1.7
121.02844	4.0
121.10071	1.1
129.12738	4.7
133.10080	0.9
145.10060	1.2
149.02319	100.0
150.02635	2.1
167.03387	9.3
190.04927	1.1
333.44205	0.8
407.25635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.9
55.05510	24.1
57.07051	20.2
59.04986	12.2
61.70924	3.6
65.99691	3.4
67.05496	38.8
69.03410	4.2
69.07048	34.6
71.04979	13.1
71.08613	7.2
71.82325	8.5
72.08160	7.1
79.05479	31.2
81.07036	54.4
81.65919	3.7
83.08614	18.3
85.06506	20.0
85.10148	5.0
86.09689	14.7
87.04399	4.4
89.06018	7.2
91.05463	41.8
93.07027	91.5
95.04951	13.7
95.08585	61.8
97.10174	6.9
103.05478	4.3
105.07011	69.5
107.08572	49.2
108.05728	6.2
109.06516	12.0
109.10130	25.9
109.97646	3.8
111.08073	42.3
115.05444	9.4
117.06974	18.8
119.08566	96.0
121.10119	30.4
123.08041	23.0
123.11681	8.9
127.07554	4.2
128.06201	11.1
129.06975	16.2
130.07777	5.5
131.08548	32.3
133.10091	46.3
135.08031	11.8
135.11682	26.1
137.09631	10.8
139.07513	24.9
141.07001	6.7
142.07774	25.2
143.08508	28.6
144.09354	7.2
145.10104	65.9
147.11665	17.2
149.02332	4.6
149.09599	14.1
151.11140	5.1
153.09071	19.5
154.07683	8.6
155.08545	13.5
156.09410	9.9
157.08740	5.8
157.10100	64.3
159.11676	39.7
161.09604	5.3
161.13252	9.7
163.11182	7.9
167.08582	7.0
167.10693	8.5
168.09271	7.4
169.02553	4.3
169.10143	32.0
171.11662	22.9
172.09274	4.8
173.09644	6.9
173.13231	21.5
175.11172	23.2
175.14828	17.6
179.08572	6.8
181.10138	8.3
181.12169	5.1
182.10938	8.1
183.11749	22.2
185.13260	14.0
187.14714	6.4
189.12782	10.4
193.10156	8.0
193.12241	5.1
194.10892	6.1
195.11664	10.3
195.13786	6.9
196.12379	5.7
197.13170	15.2
199.14781	11.1
201.12798	15.3
201.16359	20.0
207.11729	9.4
207.13664	4.7
209.13210	11.8
211.14839	5.4
221.13249	12.0
223.14868	8.8
223.16876	4.4
227.14142	5.0
231.17642	5.6
235.14893	6.5
241.19527	4.5
249.18423	6.3
253.15790	5.5
254.16632	4.2
262.08694	5.1
328.23901	8.5
389.34106	100.0
391.79520	5.3
407.29407	22.0
407.35172	45.7
408.30252	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	406.3097
Annotation	Petromindole
Peak:m/z	Relative Intensity
57.07067	4.8
67.05492	1.0
69.07043	0.9
71.08607	2.7
71.82498	0.3
81.07028	1.0
82.85732	0.5
85.10163	1.7
91.05427	0.6
95.08579	1.8
118.06542	0.5
119.08569	0.6
122.04334	0.5
133.54926	0.4
146.05977	2.7
156.08136	0.4
167.16530	0.4
180.08055	0.9
194.09648	0.9
196.11179	1.8
206.09608	0.8
211.52251	0.4
219.10403	2.6
222.09071	1.3
222.12605	0.4
232.11238	1.0
236.14328	1.3
237.15106	0.4
245.34018	0.4
252.17427	3.9
256.20596	1.0
278.15463	1.0
332.23645	14.0
350.24728	5.9
351.25360	0.5
372.26993	1.6
373.27335	0.5
388.29816	5.7
390.27756	1.0
406.30975	100.0
407.31317	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	406.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.05496	5.2
57.03439	1.5
57.07066	17.8
60.34020	1.2
63.93652	1.1
64.66270	1.1
67.05486	7.0
69.07050	3.8
69.45400	7.0
69.45834	6.5
70.02948	12.1
70.06564	1.9
71.08615	13.0
73.25002	1.3
79.05518	1.9
80.04998	2.5
81.07057	10.2
82.06562	4.6
83.08618	3.5
85.10162	4.9
93.05801	1.1
93.07004	1.8
94.06558	3.5
95.08592	13.1
96.04479	2.0
97.10191	2.1
98.06043	9.1
101.74152	1.2
107.08571	1.4
108.08120	2.2
109.06554	1.0
109.10143	2.8
109.91090	1.1
121.10207	1.2
123.02444	1.1
126.09126	2.3
155.14311	1.4
183.61403	1.2
204.06529	1.2
206.18982	10.8
224.20059	100.0
225.20399	2.5
234.22173	8.4
252.23192	92.1
253.23543	4.0
348.10986	1.3
406.36765	43.0
407.37094	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2582
Annotation	Leuconine
Peak:m/z	Relative Intensity
57.03429	3.1
57.07068	0.8
67.05489	0.4
69.07066	0.6
70.18262	0.5
70.18658	0.6
71.01347	0.8
71.08617	0.8
80.11031	0.2
85.02892	40.5
86.03252	0.3
91.05448	0.3
93.05756	2.2
94.06564	0.4
95.01293	0.4
95.08591	0.8
103.03925	1.0
106.06525	1.9
107.07316	2.3
108.04456	1.0
113.02354	1.5
117.05742	1.5
118.06516	1.0
120.04421	0.3
120.08094	1.2
121.08883	0.6
122.06032	0.9
122.09656	2.4
130.06548	0.8
131.03374	1.9
131.07278	1.0
132.08073	3.2
134.05992	2.8
134.09621	1.5
135.06787	0.7
136.11180	1.2
144.08014	0.5
146.09660	0.8
148.07567	2.6
148.11151	1.8
149.04427	0.2
150.09195	1.1
155.14313	0.7
156.14664	0.4
160.11192	1.4
162.09146	2.6
162.12805	0.3
164.10696	4.1
172.11340	0.3
174.12761	0.3
175.11848	0.3
176.10640	0.2
178.12256	0.3
190.12082	0.3
190.15915	0.2
218.19028	0.2
232.03032	0.2
232.20638	0.7
234.18526	1.3
234.22052	1.6
256.20486	0.2
258.22125	3.5
260.30902	0.3
276.23187	56.6
277.23447	1.7
283.06335	0.3
302.24774	0.9
346.23779	0.5
393.81320	0.2
406.25827	100.0
407.26138	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	406.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	5.8
56.05022	4.6
57.03423	5.3
58.99562	9.0
67.05488	4.5
69.03414	18.8
69.07068	11.1
70.06533	2.2
70.30860	5.5
70.31266	6.7
76.02209	17.3
79.05479	5.9
81.07043	15.7
83.04939	4.2
83.08591	2.9
84.04498	21.5
85.01125	4.0
85.02868	8.4
86.00631	3.8
86.09705	2.8
86.99018	4.6
87.02670	3.2
91.05465	7.4
93.07021	6.9
94.06552	1.9
95.08572	7.7
98.09669	10.0
99.04445	3.5
99.08070	4.6
102.05505	4.1
105.07005	15.9
107.08551	11.9
111.08029	2.5
113.04204	4.9
116.01662	19.3
117.07012	3.7
119.08571	34.8
121.10126	8.9
127.03834	3.6
130.04977	8.7
130.06825	2.5
131.08546	15.4
133.10114	31.3
133.11066	2.0
135.07994	3.7
135.11613	3.4
143.08568	8.2
144.01166	5.6
144.09352	2.4
145.10088	10.4
147.11635	6.6
149.13203	2.7
156.08386	17.8
156.10167	8.3
157.06815	6.1
158.10887	9.0
162.02208	12.4
163.14751	2.7
166.99921	2.5
173.13234	46.3
174.09431	12.2
175.14798	92.4
179.04755	6.1
181.08592	2.4
191.14285	53.3
209.15305	3.9
220.81973	2.2
232.03084	3.1
259.11096	100.0
260.11481	5.9
295.05640	2.4
313.12137	3.3
331.13095	5.3
349.82672	2.1
353.19403	4.3
406.16608	10.1
414.61136	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78703	0.8
55.01859	2.3
55.05494	1.9
57.03439	1.6
61.02906	1.0
63.67507	0.9
67.05467	1.6
69.03410	3.4
69.07050	4.0
70.06564	2.0
71.51373	0.9
71.78345	1.2
72.08134	1.4
79.05479	2.3
81.03403	2.3
81.07046	8.3
83.04969	1.7
85.02885	8.7
86.09700	1.2
91.05446	5.2
93.07030	9.5
95.08569	4.3
97.02875	2.2
99.04419	2.3
103.05452	2.3
105.03347	2.1
105.07007	11.2
105.56728	0.9
107.08576	14.3
109.02852	10.5
109.06517	2.3
109.10127	2.3
111.08076	1.1
116.07095	1.0
117.06995	3.6
119.08555	7.3
120.08084	1.6
121.01043	2.3
121.06484	29.9
121.10133	5.2
123.08036	2.4
127.03896	2.6
129.06906	1.1
131.08537	20.9
133.10094	9.9
135.08005	6.2
135.11681	1.3
137.09563	1.9
138.09126	9.0
145.10086	5.4
147.07993	2.4
147.11659	29.3
149.00546	27.1
149.09633	6.5
149.13239	10.8
151.03864	4.8
153.09001	1.0
155.01590	5.9
158.10808	1.7
163.11154	1.7
163.14784	3.4
163.45322	0.8
164.99994	2.4
173.13240	27.7
174.13597	1.0
175.14819	3.5
176.11952	1.4
180.99489	3.8
181.03154	7.9
183.01074	6.7
189.12602	0.9
191.00267	5.5
191.14278	100.0
192.01114	1.7
192.14587	3.3
193.01920	1.8
197.02696	2.6
206.02673	13.0
209.02715	2.8
209.15334	92.7
210.15637	1.4
216.15524	1.0
224.03726	8.4
226.08585	2.4
229.56447	1.0
252.03314	4.4
270.04257	27.4
318.07907	5.1
320.09445	1.0
344.76608	1.1
371.20468	1.3
389.13202	1.0
407.07388	1.0
407.12650	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.01864	1.9
55.05498	12.9
57.03418	2.7
57.07060	2.0
59.04983	2.7
61.02918	2.9
67.05484	5.6
68.22711	1.1
69.03420	6.8
69.07054	7.7
70.03722	1.1
70.06599	1.6
71.04982	3.3
71.78242	2.2
79.05476	8.4
81.03402	1.8
81.07043	19.5
83.04969	14.2
83.08598	11.1
85.02882	17.1
85.06519	7.7
87.04417	1.2
91.03965	1.4
91.05462	9.2
93.07030	16.5
95.04950	11.3
95.08585	8.6
97.02884	5.3
97.06518	9.4
97.10176	2.3
99.04445	4.3
99.08058	2.6
105.07020	21.2
107.08572	28.3
109.02904	1.8
109.06499	19.1
109.10138	17.4
111.04418	1.7
111.08080	4.9
115.07545	2.6
117.07021	3.3
119.08559	22.1
121.02843	1.3
121.06472	2.3
121.10117	23.5
122.10459	1.8
123.08057	4.7
123.11710	4.5
125.09621	4.2
127.03916	2.6
127.07538	1.5
129.07007	1.6
131.08540	21.1
133.10103	36.5
134.10509	1.2
135.08043	8.0
135.11684	5.8
137.09576	2.5
139.11157	7.6
140.11485	1.2
143.08516	3.1
144.09312	1.2
145.04953	3.6
145.10089	10.8
147.11642	17.6
149.09608	5.3
149.13228	12.6
151.11166	12.3
153.09087	7.1
158.10838	5.4
161.13222	3.0
163.11159	2.6
163.14764	11.9
165.12700	1.8
167.10655	1.6
167.14308	18.4
171.11720	1.4
173.13229	62.5
174.13576	2.7
175.14793	29.2
176.15108	1.2
181.05084	1.1
181.08559	2.4
181.15848	2.1
191.10638	3.6
191.14278	50.0
193.15877	2.3
199.13327	2.4
200.13559	2.6
209.11742	6.3
209.15332	100.0
210.15649	4.9
227.09195	1.5
227.12807	10.9
227.16359	12.8
259.11130	2.2
281.60025	1.1
288.77505	1.2
326.10687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46952	0.5
51.98066	0.5
53.03933	1.1
55.01847	0.6
55.05501	16.7
57.03416	1.6
57.07050	0.7
59.04991	0.8
67.05486	2.5
69.03423	3.6
69.07051	2.0
71.04966	0.9
71.47440	0.9
73.02871	0.8
78.03444	0.8
79.05473	1.5
81.03382	1.7
81.07038	3.9
83.04964	16.4
83.08606	14.7
85.02884	4.4
85.06531	1.2
85.38435	0.6
88.77190	0.6
89.24551	0.6
91.05464	1.7
92.48579	0.6
93.07040	3.0
95.04935	1.6
95.08587	3.1
97.02876	1.4
97.06507	2.8
97.10150	1.9
99.04431	0.9
99.08134	0.6
100.37419	0.6
102.25412	0.6
105.03326	0.7
105.07002	3.1
106.02892	4.5
107.08577	8.3
109.02861	1.3
109.06496	1.9
109.10133	9.5
111.08070	3.5
113.09600	0.8
117.07001	0.7
119.08557	2.6
121.10119	4.1
123.08019	1.4
123.11690	5.3
124.03938	3.7
125.09617	4.4
127.03858	1.2
127.11183	1.4
128.56403	0.5
131.08554	2.3
133.10115	3.7
135.08022	2.7
135.11627	0.8
139.11124	0.8
145.04924	1.3
147.11670	3.6
149.13242	2.6
151.11154	22.1
153.09061	1.0
158.10860	0.9
163.07538	0.9
163.14827	1.0
167.14299	28.2
168.14636	1.3
173.13225	4.4
174.53752	0.6
189.43245	0.5
191.14273	9.0
191.15915	0.7
209.15337	100.0
210.15677	3.3
215.07011	1.9
227.16412	3.3
250.07103	1.5
256.46783	0.6
268.08078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.8
57.03416	1.0
57.15574	0.8
59.04964	0.9
59.77048	0.8
61.02891	0.9
61.52174	0.7
67.05480	2.9
69.03415	1.5
70.21803	2.0
70.22218	2.1
70.83292	0.7
71.04972	2.5
73.23611	0.7
76.82024	0.8
77.86510	0.7
79.05450	0.9
81.03371	0.9
81.07031	4.0
83.04964	8.8
83.08599	9.0
85.02901	5.4
85.06530	2.1
91.05470	1.5
93.07005	2.5
95.04948	52.1
95.08563	1.5
96.05272	0.8
97.02863	1.2
97.06491	1.6
97.10139	1.3
99.04438	13.4
99.08073	1.3
103.05477	0.7
105.07000	3.6
107.08559	5.6
109.06478	1.4
109.10129	6.1
111.08060	2.8
119.08601	1.3
121.10120	2.3
123.11665	2.5
125.09604	2.3
127.03899	0.9
131.08478	1.3
133.10088	7.1
135.08034	1.8
137.05922	1.7
147.11678	1.3
149.13210	2.8
151.11143	12.0
153.09082	19.9
167.14297	16.1
173.13217	4.0
174.92087	0.8
175.14937	0.8
181.08664	1.4
191.14256	5.1
209.15331	100.0
210.15636	2.8
227.16376	4.9
309.09781	1.5
361.02576	1.2
371.20670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.8
55.05500	3.4
57.06789	0.6
57.07067	9.4
58.06597	0.4
64.17718	0.4
66.76212	0.4
67.05492	4.9
68.05013	1.1
68.88461	0.5
69.07054	4.4
70.02939	3.5
70.06580	11.2
70.80645	0.6
70.80993	1.2
71.04966	0.7
71.08236	0.8
71.08620	13.6
72.04511	0.6
72.08140	0.9
74.98884	0.4
79.05473	1.7
80.05006	3.2
81.06587	0.7
81.07040	9.3
82.06576	2.6
83.08601	2.6
84.08113	1.3
85.10165	7.6
91.05463	0.6
93.05775	1.2
93.07008	1.2
94.06548	4.1
95.04974	0.6
95.08591	9.4
96.04448	2.8
97.02876	0.6
97.10121	0.7
98.06042	8.6
105.03388	0.6
105.07041	0.6
106.06534	0.5
107.07336	0.8
107.08566	0.8
108.08102	2.5
109.06484	0.9
109.10112	0.9
110.06022	1.5
112.07639	0.7
114.05484	0.9
119.08604	0.5
120.08102	0.8
126.09137	1.1
137.13231	1.4
139.03928	0.9
139.05002	16.1
140.03401	9.9
140.04489	0.5
153.12721	1.2
155.14285	16.9
182.19005	0.8
193.10188	0.4
204.17455	0.8
206.19008	16.3
207.19173	0.7
222.18469	5.4
224.20059	100.0
225.20401	4.4
268.19046	14.1
269.19370	0.9
285.10220	0.5
286.10696	0.5
348.12149	1.0
388.29605	0.5
404.64545	0.6
406.16345	5.2
406.23260	1.9
406.29065	0.6
407.16705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08815	1.5
55.70836	1.3
56.95238	1.8
57.03394	1.5
57.07056	1.6
59.04991	20.6
59.85604	1.4
61.12639	1.3
67.05511	1.9
67.63905	1.5
68.25909	1.4
69.07037	1.6
69.68451	8.8
69.68880	4.7
81.07036	2.3
81.14716	1.7
87.04436	2.7
93.07043	2.3
95.08608	3.3
104.33379	1.5
107.61987	1.4
111.31322	1.5
111.79083	1.3
120.93919	1.5
202.01321	1.7
235.06317	2.3
249.07831	8.6
250.08560	1.5
260.10699	3.4
262.08685	3.6
263.05661	5.2
274.08612	3.4
276.06558	4.4
276.10141	2.4
276.23233	2.4
277.07315	52.1
278.08008	7.8
286.08728	2.5
286.12088	2.0
287.09433	4.3
288.06760	2.7
288.10178	15.8
290.08051	25.4
291.08734	4.3
292.09613	2.2
298.08731	3.1
301.07175	4.4
302.08075	7.2
303.08902	2.1
304.09674	4.0
305.10388	9.8
314.11639	4.0
315.08807	6.0
316.09647	38.7
317.10074	2.0
318.11237	3.8
320.12769	100.0
321.13135	4.7
323.09143	2.1
330.07617	2.4
330.11038	8.6
331.11963	13.6
334.14392	2.5
340.09943	1.9
341.10303	4.7
342.11139	2.1
346.14352	4.9
356.12772	6.9
359.11673	1.8
362.14050	3.5
374.13828	81.9
375.14096	4.5
388.15125	1.8
388.25693	1.9
405.36130	1.7
406.16415	5.6
406.25821	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	406.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51517	0.7
55.01851	3.0
55.05492	2.1
56.05018	6.0
57.03421	5.5
58.99572	9.2
61.01128	0.8
61.65873	0.6
65.54724	0.6
67.05486	0.6
68.05008	1.5
69.03400	1.2
69.07047	1.3
70.02940	0.9
70.06583	0.9
70.47277	1.9
70.47689	1.4
73.01118	2.1
74.00649	1.3
76.02213	20.6
76.03977	2.5
76.32446	0.7
79.05488	3.2
81.06590	1.4
81.07045	16.8
83.06085	1.8
84.03973	1.3
84.04487	23.1
84.08116	1.0
85.01099	3.0
85.02876	2.2
85.06510	0.6
85.13896	0.6
86.00636	3.7
86.09705	0.8
86.99036	7.2
87.02662	5.7
88.02197	1.1
92.55618	0.8
93.06990	1.4
94.06555	0.9
95.04930	1.2
95.08577	3.4
96.08121	0.8
97.01098	1.0
97.06512	2.3
97.08924	0.7
98.09679	11.6
98.20792	0.7
99.04417	1.1
99.05559	1.1
99.08063	5.2
100.07600	36.6
101.00574	0.7
102.05512	5.0
105.07030	1.1
105.41196	0.6
106.05027	0.7
110.09654	1.9
111.08071	0.8
112.03992	3.8
112.95825	0.8
113.04208	5.3
114.05421	0.7
115.05761	1.3
116.01661	21.0
119.08582	1.4
121.10088	1.3
122.09670	1.2
123.08099	1.7
124.58325	0.9
127.05730	1.3
129.06520	3.2
130.04996	8.3
130.06845	3.7
130.08627	1.5
131.08539	1.3
139.05725	2.3
142.03183	1.9
143.02721	1.7
144.01123	8.8
145.05981	0.9
147.04462	0.9
147.11734	0.8
156.08403	18.8
156.10172	10.8
157.06810	8.3
162.02184	20.7
167.07019	2.1
173.13240	1.1
174.09480	11.4
175.14848	2.0
179.04831	7.1
181.08600	0.8
187.05310	1.1
188.03719	1.1
189.03278	1.0
191.14258	2.9
193.15842	0.7
209.07918	1.0
209.11697	1.5
210.11287	2.2
216.06836	6.2
226.04941	1.2
227.09085	1.2
233.05908	2.3
244.05977	1.5
245.04190	1.1
259.11084	100.0
260.09009	0.8
260.11636	3.7
277.11990	1.4
285.12595	2.4
301.31274	0.8
308.09149	0.8
313.12070	4.6
331.13150	6.2
343.13058	1.0
388.15179	2.1
389.13760	1.3
406.16388	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	405.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.3
55.05499	4.4
57.07066	43.9
57.24811	2.2
65.03940	2.6
65.53677	2.0
67.05499	21.0
69.03407	2.2
69.07055	7.5
70.02039	4.3
70.02460	11.6
71.01352	2.6
71.08615	74.4
79.05470	4.5
81.03419	3.0
81.07043	37.4
83.01344	4.1
83.04966	7.5
84.54524	2.7
85.02885	4.9
85.06522	2.1
85.10169	37.4
93.07026	3.8
95.01308	2.7
95.08588	39.2
97.02870	4.5
109.02893	5.9
111.00801	9.5
111.04424	7.8
121.10162	2.9
125.02351	2.4
127.03948	4.5
132.92139	2.1
137.02328	4.3
137.13231	7.9
139.03874	16.8
140.06885	2.4
153.09348	2.3
154.77237	2.4
155.03394	14.3
155.14281	100.0
165.01915	2.9
177.22391	2.1
183.02858	9.1
201.03896	44.3
316.09399	2.6
327.17905	2.8
337.16364	8.2
355.17307	4.9
405.37170	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	405.372
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03949	1.2
55.01847	1.6
55.05502	2.2
57.03421	1.0
57.07073	7.5
67.05498	8.1
69.07061	2.1
71.08620	6.4
71.78648	0.8
71.79054	1.1
79.05444	1.1
81.07047	1.5
83.08614	1.7
85.06518	1.1
85.10159	3.1
89.55989	0.9
91.05466	4.6
93.07025	32.9
95.04951	1.4
95.08592	20.5
97.06499	1.2
105.07010	1.4
107.08572	3.4
111.08064	15.3
113.40988	1.1
121.06487	2.0
121.10102	1.9
125.09608	1.3
127.07510	1.7
138.96388	1.0
139.07513	14.1
153.09081	8.6
157.08591	2.7
167.10625	5.7
179.70193	0.9
181.12192	4.7
192.91919	0.9
195.13776	4.4
209.15375	2.5
223.16974	2.3
251.20116	1.9
276.37411	1.3
279.23212	1.1
347.66510	0.9
405.37219	100.0
406.37640	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	405.1902
Annotation	(-)-Dihydroclusin
Peak:m/z	Relative Intensity
53.03929	1.8
55.05487	0.7
57.07061	0.8
65.03925	1.6
67.05485	1.3
69.07056	3.5
69.67036	5.4
71.08641	1.3
75.94395	0.6
78.04686	1.8
79.05486	6.1
81.03368	0.8
81.07037	2.7
91.05467	3.9
93.07014	3.0
95.04952	11.8
95.08587	1.5
96.80772	0.7
103.05431	2.8
104.01623	0.7
105.03345	1.3
105.07001	4.6
106.04152	0.8
107.04938	29.4
108.02086	0.7
110.03602	0.8
115.05414	1.6
117.06984	1.9
121.06475	2.6
123.00771	0.7
123.04405	14.2
124.05164	2.9
124.05957	0.7
125.06010	1.3
128.06119	0.8
129.06979	1.5
130.07753	2.7
131.08542	1.6
133.06474	1.2
135.04395	1.8
135.08051	5.3
137.05997	5.6
140.04713	4.0
142.02550	0.9
143.08504	4.2
145.06474	1.7
145.10100	10.8
147.08034	1.9
149.02284	0.8
149.05939	1.4
151.03871	1.6
152.04652	1.8
153.05455	1.2
154.06198	1.6
155.07005	6.8
155.08510	3.0
158.07239	11.3
159.07979	1.6
161.05878	1.0
163.03859	1.0
163.07529	7.0
163.11168	1.3
166.06212	1.9
167.07008	100.0
168.07314	3.0
171.06531	1.2
173.09586	21.7
174.09908	0.8
175.07536	0.8
177.05531	0.9
180.07794	1.9
181.04933	20.6
181.08540	18.3
183.06508	8.4
183.09085	0.9
186.06831	1.7
189.09071	1.7
191.10606	4.1
192.07751	1.0
195.10133	16.5
197.38019	0.7
201.09067	35.0
202.09406	1.5
205.08556	0.7
207.10144	1.9
211.09621	2.2
219.10132	22.3
220.10526	1.0
221.11737	1.3
223.13217	3.6
233.11685	21.9
234.11986	1.0
237.11189	0.8
251.12746	48.0
251.85040	0.7
252.13097	2.1
265.14285	4.7
283.15414	1.6
323.12988	1.0
337.16483	1.7
355.15411	2.4
387.17969	2.0
405.19025	0.9
428.66507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1902
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
52.17764	0.5
53.03930	1.5
55.01853	1.0
55.05489	0.6
56.93095	0.5
61.49788	0.5
63.24100	0.6
64.67873	0.6
65.03918	1.6
67.05490	1.4
69.07061	3.0
69.48933	6.1
73.45147	0.6
78.04704	1.7
79.01872	0.5
79.05466	5.3
85.02857	1.0
86.60807	0.5
91.05453	4.2
92.35123	0.5
93.03399	0.8
93.07028	1.6
94.04142	0.5
95.04946	11.0
95.08606	0.5
97.06490	1.2
98.21457	1.1
103.05427	2.1
105.07013	4.1
106.04140	1.0
107.04939	28.9
110.03670	0.8
111.04411	1.2
114.45758	0.6
115.05431	2.4
117.06993	2.2
117.71091	0.5
119.04868	1.0
121.06490	3.5
122.03627	0.9
123.04405	13.0
124.05212	3.6
125.05955	1.5
128.06143	0.7
129.06955	1.3
130.07753	2.4
131.07623	0.5
131.08545	2.5
132.02737	0.6
133.06433	1.0
135.04404	1.4
135.08052	4.8
137.05963	4.6
138.03058	0.7
139.03932	0.6
140.04619	3.7
142.02553	0.8
143.08530	4.4
145.06482	1.3
145.10097	10.9
147.04341	0.8
147.08047	1.3
149.05904	1.1
150.29285	0.5
151.03882	1.7
152.04657	1.4
153.05450	1.4
154.06223	1.7
155.07002	6.3
155.08493	2.5
158.07254	8.9
159.07991	1.7
161.05914	0.9
161.09618	0.8
163.03862	0.9
163.07510	8.2
163.11145	2.1
166.06230	1.0
167.07008	100.0
168.04213	0.5
168.07304	1.4
171.06493	1.4
171.07889	0.6
173.09592	19.5
174.09911	0.7
175.07472	1.1
177.05415	0.9
177.09067	0.7
178.06212	0.8
179.06921	0.6
180.07796	1.5
181.04929	22.0
181.08556	15.5
183.06494	8.6
183.09186	0.9
186.06761	1.6
189.09047	2.3
191.10608	4.5
192.07759	0.6
193.08557	1.0
195.08459	1.2
195.10149	16.4
201.09070	35.9
202.09486	1.6
207.10074	1.2
211.09596	1.6
218.09386	0.8
219.10130	22.6
220.10498	1.0
221.11589	0.8
223.13251	3.5
233.11691	19.6
233.13976	1.2
234.12029	1.1
251.12737	48.8
252.13139	1.4
323.12650	0.8
355.15469	2.8
387.17966	1.6
405.18832	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21235	0.5
53.03922	1.8
55.01869	0.9
55.05497	0.6
59.04969	0.7
60.01060	0.5
65.03929	1.7
65.06275	0.5
67.05489	1.7
69.07072	2.7
69.50964	6.3
77.03911	0.6
78.04692	1.4
79.05479	5.4
81.07044	0.9
82.91081	0.5
83.04965	0.8
85.02888	0.8
91.05453	3.9
93.03377	0.8
93.07011	1.3
95.04957	11.2
97.06491	1.2
103.05444	2.8
105.03381	0.7
105.04531	0.7
105.07024	4.0
106.04213	0.7
107.04942	29.5
107.08551	0.9
110.03657	0.8
111.04411	1.0
115.05421	2.8
117.07003	2.4
119.04919	0.8
119.08508	0.7
120.05743	1.3
121.06507	3.0
123.04414	12.6
124.05168	2.8
125.06016	1.4
128.06195	1.0
129.06979	2.0
130.07753	2.3
131.04895	0.8
131.08548	2.0
133.06502	1.3
135.04411	1.4
135.08044	5.0
137.05971	3.6
138.03128	0.6
139.03883	0.9
140.04628	4.0
141.06979	0.9
143.08542	5.1
144.05659	0.7
145.06447	1.3
145.10092	9.2
147.04347	0.9
147.08044	0.8
149.05923	1.1
151.03886	2.5
151.07567	0.6
152.04668	2.6
153.05396	0.8
154.06241	1.4
155.07011	5.3
155.08501	2.6
157.06432	0.7
158.07234	9.9
159.08041	1.7
160.84938	0.5
163.03848	1.0
163.07516	6.6
163.11156	1.1
166.06219	1.2
167.07014	100.0
168.07336	2.1
171.06467	1.5
171.08009	1.0
173.09599	18.3
175.07564	1.0
177.05458	0.9
177.09125	0.6
178.06242	0.7
179.06889	0.6
180.07814	1.6
181.04936	20.0
181.08548	14.7
182.08875	0.7
183.06493	7.3
183.09090	0.9
186.06766	1.7
186.39667	0.6
189.09099	1.9
191.10640	4.2
192.07765	1.6
193.08562	1.0
195.08423	0.6
195.10135	16.5
195.11940	0.8
201.09087	33.5
202.09427	0.7
207.10062	1.4
211.09579	1.8
219.10144	19.6
220.10538	0.7
221.11714	0.9
223.13272	3.2
233.11694	20.3
234.12025	0.6
250.06447	0.6
251.12749	47.5
252.13022	1.4
259.09622	0.7
270.53433	0.6
323.13031	0.8
347.38699	0.5
355.15366	2.5
387.18054	1.8
405.19086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.2
57.07026	0.4
69.07013	0.4
70.22135	0.6
71.08612	0.2
72.50936	0.1
78.43369	0.1
79.05433	0.1
81.07008	0.3
91.05463	0.1
93.05766	1.0
94.06525	0.3
95.08564	0.1
98.20708	0.1
106.06532	1.3
107.07341	0.5
107.08532	0.1
108.04411	0.1
118.06472	0.2
120.04422	0.7
120.08070	1.1
120.47017	0.1
122.06014	1.1
122.55427	0.1
125.04710	0.2
132.08047	0.1
134.09589	0.4
135.06773	2.7
135.11749	0.1
136.07480	0.4
148.07558	1.8
148.11165	0.3
149.08295	0.5
162.09082	0.5
162.12665	0.2
164.10701	0.1
176.10690	0.2
176.14270	0.2
199.09274	0.1
204.13773	0.2
204.17503	0.1
206.19022	1.3
218.19052	0.5
220.20576	0.2
230.18886	0.1
232.20517	0.6
234.18436	1.0
244.20374	0.2
246.18472	0.1
248.20061	11.1
249.20348	0.6
260.20068	2.2
262.21667	0.2
274.21640	0.4
276.23206	0.2
288.23358	0.1
292.22668	1.0
304.22641	0.2
333.06470	0.1
342.31329	0.4
360.32544	28.7
361.32895	2.4
404.35162	100.0
405.35498	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	404.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04891	2.6
53.03934	6.1
55.01859	12.2
55.05507	22.2
57.03414	5.1
57.07059	8.9
59.04989	11.3
62.85489	3.2
65.03925	10.2
67.05134	3.2
67.05495	64.2
69.03432	4.0
69.07058	100.0
71.04974	26.7
71.08614	4.1
71.81060	3.4
75.04469	63.7
75.04890	4.2
79.05476	53.9
81.03411	9.7
81.07043	96.5
82.07401	3.2
83.04965	49.4
83.08610	7.0
85.06544	17.2
91.05451	41.9
93.07029	59.1
94.07776	4.2
95.04948	49.2
95.08591	22.7
96.05742	4.0
97.06520	6.9
99.08067	4.7
101.06040	3.3
103.05431	6.3
105.03397	8.1
105.07011	29.3
107.08572	39.1
108.09398	5.8
109.06504	40.7
109.10140	14.6
111.00188	3.0
111.04394	2.8
113.05995	61.7
113.06718	5.5
117.07047	3.3
119.08561	23.2
120.08099	7.5
121.10117	20.3
122.10918	5.2
123.08045	6.1
123.11709	6.7
131.08586	3.9
133.10127	7.3
135.11681	32.6
137.09607	5.1
139.11168	11.8
151.11157	4.4
152.11922	3.1
155.10623	6.1
221.13225	3.1
257.04404	3.6
269.64996	3.7
297.43863	3.7
363.56241	3.2
404.10864	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	404.2426
Annotation	Gomandonine 13-O-acetate
Peak:m/z	Relative Intensity
55.01849	0.7
55.05487	1.7
56.05017	1.5
57.07066	6.0
58.00809	0.6
59.04985	1.3
61.21162	0.7
67.05486	3.0
68.05001	1.7
69.07046	2.4
70.02940	3.7
70.06541	0.7
71.08614	7.1
71.81174	1.1
79.05453	1.3
81.07037	5.7
82.06568	0.8
83.08614	1.2
84.04482	2.1
85.10171	4.9
91.05465	1.8
93.07029	0.9
95.04928	1.6
95.08588	6.6
96.04514	1.0
105.07008	1.2
107.04986	1.0
110.40083	0.5
112.07587	1.5
116.03414	1.1
119.04893	0.7
121.02760	0.6
123.04416	1.2
131.04875	2.8
134.43622	0.6
135.04404	1.0
137.05980	2.6
140.00612	0.6
147.04387	4.0
155.14272	1.3
157.06438	0.6
162.05502	2.1
163.03879	3.5
163.06232	0.8
164.07033	17.6
173.05908	0.9
175.07573	2.5
182.18999	0.7
188.07101	1.7
190.08591	8.5
191.09372	1.3
192.06462	0.7
192.17450	2.1
195.06454	0.9
198.18465	1.7
200.06938	0.8
210.18488	11.4
214.08540	1.5
216.31602	0.5
217.07323	1.1
218.08005	3.4
222.11180	2.2
231.02750	0.8
232.09705	2.6
234.07628	0.9
248.09148	0.6
250.10707	22.1
251.10968	0.6
256.26358	1.7
268.19016	0.7
326.21014	0.9
344.22156	27.0
345.22516	2.5
372.21616	2.2
404.24240	100.0
404.31131	3.7
405.24582	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65087	0.5
53.00282	0.9
53.03930	2.6
55.05504	1.3
57.07053	3.1
67.05489	2.7
69.03391	0.6
69.07061	3.4
71.08623	1.4
71.81398	1.0
72.29265	0.6
79.05479	2.0
80.05001	1.4
81.03403	13.0
81.07039	2.5
83.08570	0.6
85.10155	1.4
91.05434	1.4
93.07018	1.3
93.22771	0.6
95.04923	1.9
95.08582	2.6
95.91998	0.7
97.06481	0.9
105.03358	2.1
105.07014	3.3
106.06517	0.7
107.04919	1.9
107.08543	0.7
108.17574	0.6
109.02860	44.7
109.06485	0.7
109.10072	0.8
119.04984	0.9
119.08534	0.7
122.05980	0.8
122.09620	0.8
123.04397	3.1
131.28481	0.8
135.04395	2.9
143.08482	0.7
152.07036	7.7
162.05478	12.3
177.05412	1.0
204.10133	0.8
210.18507	1.1
232.09612	1.6
234.18555	1.5
235.16891	100.0
236.17229	3.8
250.10811	2.4
272.44153	0.7
282.83511	0.7
284.53024	0.7
342.20419	0.7
358.23688	3.3
386.23236	1.5
404.24146	9.6
405.24371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49779	0.2
53.03931	0.5
55.05492	0.5
57.03434	0.4
61.02898	0.4
67.05505	1.5
69.03407	1.0
69.07050	0.4
70.28873	0.3
70.33530	0.5
70.33944	1.0
71.04978	0.7
73.40099	0.2
79.05470	0.8
81.03407	0.7
81.07036	0.8
83.04990	1.9
85.02890	3.4
85.06477	0.3
86.48278	0.3
91.05475	0.9
93.07033	1.3
95.04935	1.2
95.08588	2.9
97.02882	1.2
97.06512	1.3
99.08082	0.5
105.03358	1.3
105.07017	1.1
107.04997	0.5
107.08588	1.4
109.06493	1.7
111.04399	0.9
111.08047	0.4
119.08584	1.8
121.06506	0.6
121.10118	3.8
123.08050	100.0
124.08387	3.0
125.05973	0.5
125.09605	0.3
127.03877	0.3
133.10112	0.5
135.11674	1.1
137.09592	0.7
143.08469	0.3
145.04906	0.4
145.10098	1.0
147.11673	1.2
149.09604	1.7
151.07504	0.4
151.11160	0.8
161.13303	0.5
163.11166	1.5
167.10667	1.2
171.11824	0.3
176.48668	0.3
179.03358	0.4
181.12202	11.4
182.12598	0.6
189.09099	0.4
189.12691	0.6
207.10121	0.5
207.13753	2.7
225.11230	1.2
225.14822	15.3
226.15187	0.6
231.02922	1.0
259.09644	0.5
373.10358	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	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01837	0.3
55.05495	0.7
57.03421	0.4
59.04975	0.8
61.02903	0.6
61.09619	0.2
65.03935	0.3
67.05490	1.3
69.03408	1.1
69.07031	0.5
70.23965	0.6
70.24360	0.5
71.04976	0.5
73.02891	0.3
79.05481	1.3
81.03391	0.6
81.07036	1.0
83.04972	2.1
85.02882	4.2
85.06491	0.3
86.09615	0.2
90.46661	0.2
91.05463	1.2
92.30982	0.2
93.07028	1.8
94.94862	0.2
95.04916	1.2
95.08589	4.1
97.02846	1.0
97.06510	1.6
98.20712	0.3
98.97603	0.2
99.04434	0.4
99.08075	0.9
101.05977	0.3
105.03359	2.5
105.07020	1.6
106.03725	0.3
107.03909	0.3
107.04937	0.4
107.08580	1.7
109.02838	0.7
109.06503	2.6
109.10123	0.4
111.04430	1.1
111.08042	0.4
119.08537	2.0
121.02825	0.4
121.06509	0.7
121.10123	4.5
122.09676	0.3
123.08043	100.0
124.08372	2.6
125.05953	0.4
125.09654	0.4
127.03900	0.8
127.07533	0.5
129.07033	0.3
133.06552	0.4
133.10114	0.8
135.11633	1.2
137.09592	0.9
139.11131	0.3
140.17274	0.3
145.04939	0.8
145.10077	0.8
147.08080	0.3
147.11646	1.6
149.09598	1.6
151.07570	0.4
151.11148	1.4
161.09680	0.4
161.13214	0.6
163.11172	1.8
165.09135	0.5
165.12738	0.3
167.07030	0.4
167.10640	1.2
171.11621	0.3
179.10730	0.3
181.05104	0.3
181.12204	13.3
182.12508	0.3
189.12657	1.3
198.14861	0.3
201.00684	0.3
207.10300	0.2
207.13744	3.3
225.11562	1.6
225.14806	16.6
226.15138	0.9
231.02895	0.5
242.11687	0.3
309.08725	0.3
345.10699	0.4
373.10291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01855	0.7
55.05499	0.9
59.04985	1.3
67.05504	1.0
69.03412	2.6
69.07063	0.7
70.06582	0.4
70.38205	1.9
71.04979	1.3
72.04490	1.3
79.05460	1.4
81.07045	1.7
81.41033	0.5
83.04962	3.0
85.02888	3.3
85.06515	0.5
88.02197	1.3
91.05462	2.3
93.07022	2.9
95.04946	1.0
95.08593	1.7
97.02866	0.9
97.06526	2.2
101.05996	1.4
105.07019	7.5
107.04937	1.0
107.08578	9.3
109.02852	0.9
109.06478	2.3
109.10109	0.6
111.08047	0.9
119.04891	1.1
119.08559	5.2
121.06473	1.1
121.10117	5.5
123.08044	4.7
123.11676	1.3
124.03951	1.3
124.07561	0.6
126.05503	0.5
127.03922	0.6
131.06328	0.5
131.08569	4.6
132.04759	1.1
133.06473	1.8
133.10123	1.9
135.08051	0.8
137.09601	2.4
137.13226	0.7
142.08572	0.9
143.08574	1.3
145.10081	1.3
147.07985	3.5
147.11655	6.9
149.09596	75.9
150.09929	2.9
151.07520	0.8
156.09337	1.8
159.05714	0.5
160.08685	0.6
161.09573	1.3
161.13239	5.4
165.12714	4.1
171.11699	4.8
174.10381	2.1
175.05334	0.7
184.09668	0.6
189.12718	26.0
190.13086	1.3
207.13779	100.0
208.14116	4.0
225.14742	0.8
231.11517	1.2
256.36740	0.6
261.12720	5.2
284.14935	0.5
303.13733	0.6
319.83209	0.4
331.05548	0.5
361.17703	0.8
387.15738	0.6
394.17569	0.5
404.15866	2.0
405.16922	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	404.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
62.49297	0.7
67.44640	0.9
69.03403	3.1
70.06580	72.1
71.04960	0.9
71.06913	1.0
71.81740	1.2
72.04501	2.7
81.03404	2.4
85.02885	9.5
85.06538	1.2
86.09694	1.8
88.02210	3.8
91.05457	11.8
97.02872	3.4
99.04445	1.9
99.05556	2.7
103.03944	1.5
105.07001	0.8
107.04843	0.9
107.08567	1.1
109.02864	5.8
112.07586	67.2
114.03750	0.9
116.07086	2.4
118.04173	1.9
119.04929	19.9
120.05286	1.2
124.07550	1.5
127.03882	5.1
132.04745	4.2
140.07045	39.3
141.07425	0.9
142.08571	4.0
143.22577	1.0
145.04976	1.5
147.04393	19.3
148.04781	1.2
149.02347	1.1
157.03993	1.2
158.08115	14.9
159.05830	1.7
164.04637	1.9
174.03152	1.1
175.03883	37.9
176.04181	1.7
179.07007	1.9
180.08615	1.8
184.09682	2.2
192.04132	10.5
193.04597	1.0
207.06491	100.0
208.06816	5.7
225.07552	40.6
225.14964	1.0
226.07884	1.7
242.06363	1.0
243.11536	1.2
248.80840	0.9
261.12598	2.0
266.10181	2.7
284.11240	7.9
302.12344	6.7
364.23929	0.9
368.17398	0.8
405.11630	1.3
405.16855	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	404.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
53.03942	2.1
69.03436	0.3
77.03903	0.7
79.49309	0.3
85.02886	0.8
95.04961	4.3
98.20649	0.7
105.03373	100.0
106.03696	2.0
145.04926	0.3
203.10049	0.3
214.03859	0.3
224.10663	45.6
225.11050	1.6
242.11734	3.9
243.45587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
59.17102	0.6
61.02918	1.1
66.36617	0.7
69.03416	3.2
70.50689	1.2
70.51098	2.0
71.04983	1.2
77.03918	0.8
79.05465	0.7
81.03401	1.1
85.02888	8.7
91.05481	3.5
93.07036	6.5
95.04947	4.9
97.02847	1.5
98.37650	0.7
103.05453	3.4
105.03376	100.0
105.07017	1.2
106.03015	1.0
106.03715	2.8
109.02839	1.2
119.08531	0.8
121.06486	62.8
122.06024	1.3
122.06772	1.2
123.08064	2.4
124.03947	2.5
127.03889	2.0
137.09607	1.0
145.04915	0.7
149.09605	7.6
167.06885	0.8
189.12715	3.9
207.13783	8.2
242.11725	87.7
243.12067	3.8
332.14825	0.7
404.13025	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80048	0.5
55.01854	0.7
57.03403	0.8
57.43466	0.6
65.03937	0.7
69.03407	2.4
70.06573	11.0
71.26147	1.3
71.26495	0.6
71.60988	0.6
73.05470	0.6
75.08712	0.5
77.13005	0.6
81.03385	1.2
83.78822	0.6
85.02888	7.7
86.09669	0.6
91.03986	0.6
91.05460	12.1
93.94285	0.6
97.02859	2.1
99.04392	0.6
103.05427	1.0
109.02851	1.0
112.07576	10.9
117.47918	0.6
118.04098	1.6
119.04915	21.5
120.05247	0.8
121.02798	0.6
124.24660	0.6
127.03883	1.6
140.07028	5.7
145.04939	1.7
147.04381	22.0
148.04718	0.8
149.02342	1.2
157.03850	1.4
158.08089	2.8
162.07521	0.7
163.06038	0.7
164.04640	2.5
174.03123	0.7
175.03874	41.2
176.04175	1.4
179.06947	2.1
180.08632	2.5
192.04144	10.0
207.06480	100.0
208.06786	4.8
220.65845	0.6
225.07532	43.2
226.07889	1.8
281.13538	0.8
284.11169	1.0
302.12216	0.8
359.10770	0.6
405.16650	2.5
423.87350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23536	1.5
52.24614	1.8
53.03932	3.3
55.05502	4.1
57.03417	2.2
59.04985	2.2
63.21328	1.8
67.05486	2.4
69.03410	8.7
69.07055	4.9
69.63504	15.3
70.06570	2.9
70.20203	1.7
70.56565	1.6
72.08146	16.1
79.05518	1.8
81.03438	2.0
81.07027	4.1
83.04963	9.4
85.02905	9.9
85.06513	3.5
86.09695	25.2
91.05484	13.6
93.07030	54.8
95.04964	12.9
95.08579	4.9
97.02865	3.6
97.06505	4.0
98.21419	3.5
99.04420	2.1
105.07009	6.4
107.08593	2.5
107.09624	1.8
109.06470	5.4
111.04387	1.7
111.08027	2.1
119.04926	2.4
119.08594	3.0
121.06489	100.0
121.10117	4.0
123.08073	2.3
125.05957	2.6
127.03889	3.9
127.07527	9.4
129.01830	6.7
129.07004	3.6
131.08557	2.5
132.03131	2.0
133.10085	2.7
135.08037	2.2
135.11630	2.0
137.05936	2.8
139.07529	5.0
144.17801	2.1
145.05008	3.8
145.06256	1.6
145.10120	2.3
149.09621	4.5
151.03844	2.0
153.09047	1.9
155.10680	2.0
157.01318	1.8
159.11670	8.0
163.03879	9.2
163.11194	4.4
167.07056	2.7
175.11052	3.6
185.08109	2.6
187.11104	4.1
189.12415	2.2
205.12207	58.0
223.13263	29.1
241.14389	2.2
247.12791	3.3
272.70206	2.1
385.19788	2.0
403.15829	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57258	0.5
53.03933	0.7
54.32053	0.5
55.01855	0.5
55.05506	1.3
57.03393	1.0
59.11431	0.5
61.02908	0.7
65.13324	0.4
69.03418	3.2
69.99024	2.2
69.99454	0.9
71.04982	0.5
78.03434	1.0
80.04980	0.7
81.03400	3.2
81.07053	0.5
82.06572	1.5
85.02894	7.2
86.09688	0.5
90.00041	0.4
94.06568	0.5
97.02878	2.3
101.06007	0.5
102.25912	0.5
104.74824	0.4
105.06973	0.6
106.02909	6.9
107.04941	0.5
109.02898	2.3
122.09657	5.9
122.97261	0.5
124.03931	14.7
124.07572	1.9
127.03860	1.6
128.07019	1.6
132.08134	0.7
135.04434	0.6
136.07597	0.6
140.06978	0.6
145.04985	0.8
148.69859	0.5
150.09119	37.8
151.09439	1.3
163.03882	1.9
166.36647	0.4
168.10118	0.9
178.08591	5.9
182.08128	0.9
191.09677	0.5
195.06390	0.4
196.09665	72.8
197.10011	2.2
224.09145	28.2
225.09491	0.7
232.06044	0.6
236.35609	0.4
237.24348	0.5
242.10196	100.0
243.10500	3.8
250.07190	1.9
268.08127	8.9
330.99033	0.5
404.15213	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.9
57.03417	3.2
57.89556	3.1
66.37734	2.7
69.03419	4.4
72.53043	3.0
79.05463	14.5
81.07035	4.0
91.05453	11.2
93.06993	5.2
95.04922	6.2
95.08631	3.8
103.05436	11.2
105.03384	19.0
105.07008	72.3
106.03649	4.3
107.04931	3.9
107.08564	6.8
115.05423	17.0
118.04137	6.8
119.08539	5.0
121.02854	10.2
127.03863	4.0
129.01839	9.0
133.06464	48.7
147.07957	3.3
149.58229	3.5
158.15677	3.3
161.05957	100.0
161.09540	3.6
162.06244	3.2
167.07011	10.6
191.06999	6.3
193.08589	50.1
241.14241	3.7
249.95213	3.1
314.04739	14.2
316.06186	9.0
383.71497	4.0
403.09164	15.8
403.14099	4.1
403.21121	5.9
404.13736	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01857	2.1
57.03429	1.6
57.11607	1.2
65.03915	1.5
67.05511	1.6
69.03416	3.1
69.07075	1.8
70.06568	3.1
71.79749	2.9
72.08105	1.6
78.04679	1.6
79.05472	14.6
81.03408	2.8
81.07038	3.1
83.04956	2.1
85.02891	4.5
85.06517	1.3
86.09691	3.0
91.05471	7.8
93.07011	3.2
95.04947	10.5
95.08587	2.6
97.02852	2.3
103.05425	2.6
105.03378	3.2
105.07020	7.9
106.04170	1.5
107.04933	33.9
107.08478	1.6
109.02840	2.1
109.06501	1.7
115.05433	2.7
116.06180	1.6
117.07001	2.1
119.04852	1.3
119.08556	1.5
121.06496	4.4
121.10117	2.5
122.76744	1.5
123.04398	12.3
124.05226	7.0
125.05963	4.0
127.03880	1.6
128.06183	3.7
129.01805	2.6
129.06998	10.4
131.08537	10.4
133.06465	4.3
133.10083	2.9
137.05972	4.2
140.04657	2.7
141.06987	2.2
143.08524	1.5
144.05684	3.6
145.06458	2.1
146.07239	2.2
147.04449	1.7
149.09590	1.5
152.04648	2.9
155.06973	4.1
157.06491	2.8
159.08032	16.6
161.05962	6.3
161.09621	5.7
167.07011	100.0
168.07373	2.2
169.07590	1.9
170.07210	10.3
173.05977	1.8
174.06744	2.1
175.07503	1.8
179.07042	1.8
181.04930	6.3
181.08559	10.3
183.06476	6.2
185.08099	2.0
187.07521	22.7
188.08301	2.0
189.09091	12.0
193.08557	2.3
195.10117	1.7
198.06752	3.0
203.10686	2.2
204.07829	8.4
207.13869	2.6
211.09750	1.5
216.07777	4.2
217.08568	2.3
219.10080	12.4
221.11613	11.9
223.13226	2.2
231.07893	2.5
231.10094	24.8
233.09656	7.4
235.07486	4.6
235.09595	2.6
241.14432	2.4
247.07655	2.2
249.11206	6.0
250.09857	4.1
260.08301	1.6
261.08981	6.8
262.09799	2.0
263.07031	5.0
265.12289	3.1
267.06433	2.1
275.10776	2.5
277.08533	2.5
278.09277	9.6
279.10114	2.8
282.08792	3.3
293.11676	12.6
295.09607	3.2
306.08826	1.9
307.09525	1.8
310.08325	2.6
311.09070	1.8
315.08377	1.6
321.11133	10.8
325.14294	5.8
328.09341	2.2
330.11038	1.8
336.22092	1.4
338.11673	1.4
343.11591	8.3
353.13730	16.3
354.14392	2.0
385.16364	22.5
403.17212	3.2
411.67200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.4
55.01853	1.0
55.05507	0.5
57.07053	0.5
65.03909	0.8
67.05512	0.5
69.18529	0.4
69.63375	3.7
70.06586	0.4
77.68827	0.4
79.05476	5.5
91.05460	4.2
93.07021	1.1
95.04931	1.8
95.08607	0.4
101.65972	0.4
103.05450	4.2
105.07016	24.1
107.04948	3.1
109.06483	1.4
111.04415	0.5
115.05430	1.4
117.06977	0.6
118.04156	3.1
119.04911	1.4
119.08515	0.5
120.05666	1.4
121.02869	0.5
121.06502	3.1
122.07253	1.1
125.05944	0.6
129.01845	2.1
131.04872	1.0
132.05670	0.8
133.06476	18.3
134.07237	0.9
135.04391	1.5
135.08023	2.7
137.05954	8.3
139.03909	0.4
147.04356	0.5
148.05133	1.4
149.05956	1.2
150.06746	7.0
151.03976	0.4
151.07538	0.5
154.06245	1.6
157.01311	0.8
161.06061	0.6
165.09096	15.4
166.06310	0.5
166.09396	0.5
167.06947	0.6
175.07501	0.7
177.05429	0.6
178.06219	1.1
179.06976	1.0
181.04967	3.2
181.08505	3.1
185.07993	0.5
192.07671	0.5
193.08575	100.0
194.09076	4.6
200.20395	0.5
209.08015	2.8
210.08798	2.8
253.04155	0.4
286.83768	0.4
373.09000	0.7
401.22537	0.4
403.24902	0.8
404.23987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.5
63.62964	0.3
70.06594	0.5
70.38467	1.2
71.26327	0.3
77.03953	0.4
84.95546	0.3
85.02924	0.3
91.05471	3.1
93.07033	4.3
95.04942	1.2
97.02831	0.3
98.97632	0.3
101.84423	0.3
103.05437	3.2
105.04538	0.4
120.08087	0.4
121.06483	100.0
122.06792	1.8
122.09283	0.3
124.03947	0.3
134.27567	0.3
135.04370	0.4
136.06172	0.4
138.09116	35.8
139.09485	0.5
141.17101	0.3
161.02866	0.3
163.03876	1.6
174.77351	0.3
178.60350	0.3
240.08533	0.6
372.76523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	0.3
51.02366	0.7
53.03712	0.2
53.03936	3.6
58.07600	0.2
69.03409	1.2
70.06563	0.9
70.07456	0.5
70.07867	0.9
72.08126	0.3
77.03916	0.7
79.05478	0.4
81.03429	1.1
85.02893	2.2
86.09693	0.7
91.05459	5.4
95.04947	7.5
97.02882	1.2
99.04395	0.3
104.04968	4.1
105.03368	100.0
106.03041	0.2
106.03672	1.3
107.04928	1.0
109.02840	0.8
110.07144	0.2
118.06500	0.3
119.04913	4.0
119.96767	0.2
121.02846	0.9
123.04402	0.6
127.03890	0.9
135.13725	0.3
136.07549	16.4
137.05943	1.8
137.07913	0.3
138.05475	0.3
145.04961	0.4
178.70842	0.2
197.09576	0.5
226.08548	0.4
240.10150	26.5
241.10580	0.6
249.07576	1.0
271.08185	0.3
280.05243	0.3
311.03418	0.3
375.08615	0.4
402.15533	0.7
403.07983	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	402.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
53.03939	1.4
55.01848	0.3
55.64999	0.2
57.03431	0.2
57.05601	0.2
57.89295	0.2
64.04097	0.2
65.03918	1.3
69.03421	0.5
70.90110	0.4
70.90479	0.4
77.03933	0.2
81.03401	0.4
81.41720	0.1
82.74360	0.2
85.02901	1.4
91.05437	0.3
95.04951	2.6
96.35666	0.1
97.02863	0.4
98.20734	0.2
105.03370	55.6
106.03706	0.7
107.04901	0.4
107.60511	0.1
111.04433	1.4
111.16603	0.2
119.04951	0.3
120.08081	8.0
121.02841	100.0
122.03178	1.6
127.03911	0.4
133.10132	0.1
136.07518	0.3
145.04994	0.2
159.07939	0.2
177.09148	0.3
197.09615	0.3
240.10147	58.1
241.10458	1.9
283.07855	0.2
353.79758	0.2
402.15448	4.2
402.20963	0.3
403.15921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3407
Annotation	(25S)-26-Hydroxycholest-4-en-3-one
Peak:m/z	Relative Intensity
55.05487	12.3
57.07068	47.6
58.07424	2.6
61.05927	2.6
64.57546	2.6
67.05492	23.6
69.07062	25.7
70.02219	2.8
71.08619	55.9
71.80039	3.5
79.05470	9.2
81.06589	3.9
81.07040	54.0
83.08617	15.2
85.10162	32.8
87.04403	3.1
91.05490	13.1
93.07043	22.3
95.08592	68.7
97.06502	4.0
105.07026	26.4
107.08591	17.6
109.06455	3.8
109.10145	18.4
117.07015	14.4
117.32108	2.5
119.08554	32.0
121.10101	21.0
123.08077	3.4
123.11684	6.5
129.06956	8.7
131.08556	21.7
133.06461	10.3
133.10100	24.2
135.11691	10.8
137.13257	5.0
142.07767	4.4
143.08522	16.9
145.10091	31.6
147.08011	5.9
147.11667	30.7
149.13213	4.7
155.08534	8.8
155.14281	43.4
156.09262	3.7
157.10094	18.6
158.10872	3.1
159.11662	20.3
161.09657	5.0
161.13205	7.4
168.09344	2.5
169.10063	8.7
171.11633	25.2
173.09702	3.0
173.13235	20.0
175.14758	9.2
181.10074	2.8
183.11621	12.5
183.17322	4.4
185.13200	14.6
187.14810	11.0
189.16248	3.4
191.14220	3.3
191.17953	3.1
195.11696	3.4
197.13234	8.8
199.14775	4.8
201.16350	27.0
203.17924	80.2
203.19809	4.2
209.13269	2.8
211.14752	4.6
213.16428	8.9
227.17825	15.5
229.19458	26.0
231.17393	13.5
239.17830	3.3
245.19014	6.2
247.20517	20.2
309.25879	6.3
323.27344	7.7
325.28897	6.0
327.26819	7.6
340.27420	3.6
341.28317	8.7
355.33615	9.6
365.31952	11.6
383.33078	66.5
384.33682	5.4
401.29572	3.9
401.34061	100.0
402.34436	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3408
Annotation	7-Ketocholesterol
Peak:m/z	Relative Intensity
53.03922	5.7
55.05500	14.8
57.06828	4.5
57.07074	49.8
58.41196	4.2
67.05490	36.1
69.07058	29.6
69.53699	46.5
71.08618	65.4
79.05480	13.4
81.07038	95.8
83.08612	14.7
85.06526	4.7
85.10167	31.5
89.37289	5.0
91.05466	24.5
93.07018	36.7
95.04955	7.8
95.08597	90.8
105.07008	41.7
107.04929	4.4
107.08589	41.5
109.06497	10.4
109.10123	32.2
117.07009	9.6
119.08573	51.7
121.06426	5.5
121.10117	34.8
123.08074	10.4
123.11667	10.0
131.08519	31.7
133.10130	33.5
135.08102	7.3
135.11653	14.7
137.05923	12.0
137.13214	5.6
142.07722	6.2
143.08580	9.8
144.09315	5.4
145.10107	48.7
147.11650	34.9
149.13301	8.3
152.58304	4.2
152.64024	4.0
155.08511	4.7
155.14284	39.9
157.10097	16.0
159.11684	31.1
161.09586	6.2
163.11157	5.9
171.11671	8.3
173.13213	29.3
175.11166	8.4
175.14772	8.0
181.76564	4.7
185.13226	9.5
187.14792	28.5
199.14810	5.9
201.16376	8.5
203.17915	20.6
211.86391	4.5
213.16328	13.7
215.17831	6.7
227.17970	4.9
229.19475	41.3
231.17374	12.2
244.43095	4.3
245.19017	18.9
247.20552	5.6
264.85971	4.5
277.60245	4.4
343.29858	6.2
355.33551	28.7
357.31442	11.0
359.29443	12.8
365.32086	6.7
373.34036	4.9
378.08722	4.9
383.33029	29.7
401.28745	9.3
401.33636	100.0
401.38043	25.7
402.34085	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	401.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.0
55.05497	7.8
57.07067	9.2
59.04990	6.7
65.10948	2.2
67.05497	24.8
69.07052	16.1
70.19003	12.4
71.04963	8.8
71.08622	6.8
73.66666	2.5
79.05475	22.6
81.07043	35.2
83.04977	2.9
83.08607	4.3
85.10175	3.0
91.05464	49.1
92.62257	2.6
93.07025	45.0
95.04933	10.7
95.08597	31.6
97.06505	2.9
97.10136	2.8
102.05521	2.2
103.05459	4.6
105.07013	100.0
107.08582	39.0
109.06495	49.9
109.10144	19.2
111.08057	6.8
115.05428	8.4
117.07006	22.2
117.54949	2.3
119.08565	78.9
121.10110	19.6
123.08048	5.2
128.06190	10.5
129.06984	20.5
130.06517	4.3
130.07764	7.7
131.08542	61.3
133.10107	79.8
135.08051	16.9
135.11664	19.7
137.09552	8.3
139.19148	2.3
141.06963	8.2
142.07729	23.5
143.08537	45.4
144.09290	9.7
145.08942	5.1
145.10092	87.2
146.05936	3.2
147.08037	5.5
147.11638	13.0
149.09570	4.9
153.06973	3.1
155.08495	17.4
156.09311	16.4
157.10104	58.2
158.06018	5.9
158.10835	14.6
159.11668	37.1
161.09607	5.9
161.13217	3.7
165.07030	6.7
167.08519	10.2
168.09329	8.6
169.07616	6.0
169.10089	24.3
170.10837	6.3
171.11665	28.5
172.12379	3.9
173.13226	46.3
175.11203	2.8
175.14799	17.8
179.08519	13.2
181.10074	14.4
182.10942	5.7
183.11639	21.3
184.07443	2.6
184.12520	3.7
185.07083	4.8
185.13222	14.9
187.11223	2.5
187.14774	40.4
189.12621	5.8
193.10097	7.9
194.10928	11.7
195.11655	18.6
196.12357	4.6
197.13239	16.0
199.14769	21.4
201.10181	5.3
201.12721	9.8
201.16290	6.0
205.10127	3.7
206.10924	5.5
207.11650	9.2
208.12457	6.2
209.13194	28.5
210.13831	3.3
211.14784	9.7
212.15398	2.8
213.12837	4.7
215.14337	3.6
217.67168	2.4
219.11696	5.0
221.13213	17.3
222.13936	3.2
223.14832	11.6
227.14362	3.0
229.09717	3.0
231.07629	5.7
233.13176	5.5
235.14799	7.7
237.16365	7.9
238.17194	3.1
239.17958	3.0
245.13132	2.6
247.10663	10.7
247.14690	3.5
248.15416	2.7
251.17882	5.1
253.19650	2.8
257.13284	2.8
261.16318	3.4
263.17935	3.1
265.19452	7.0
275.17825	3.0
277.19452	5.4
287.18051	2.7
328.22067	3.0
362.71155	2.4
401.23700	3.8
401.28592	26.9
401.37866	3.5
402.26230	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	401.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03452	0.8
55.05488	1.7
56.05028	3.6
57.07067	14.5
57.87755	0.5
64.75004	0.5
67.05487	6.4
68.05011	4.4
69.07055	3.5
70.02903	0.6
70.06593	3.7
70.97480	1.6
71.08236	1.0
71.08617	19.3
74.02419	1.1
74.51679	0.5
79.05450	1.5
81.07035	12.0
82.06556	0.9
83.08579	0.8
84.04485	1.6
85.10170	8.4
93.07049	0.7
94.06522	0.7
95.07987	1.0
95.08584	13.4
96.04511	1.3
100.03950	1.7
102.05522	15.4
107.04901	1.2
114.05498	5.2
115.05414	1.6
116.04968	0.7
118.06516	1.8
120.04433	1.2
124.64324	0.6
129.06999	1.8
130.06505	46.1
131.06897	0.6
132.04414	8.6
132.08040	3.4
134.05971	2.4
137.13239	0.8
142.06497	0.8
144.08018	3.3
146.05983	14.4
146.09599	1.7
148.07550	1.3
155.14333	3.1
156.08061	11.6
157.07565	3.9
158.05988	87.5
159.06361	2.5
160.07549	11.1
168.08069	6.6
168.17432	0.8
169.07515	3.9
170.06003	1.2
172.07536	5.7
173.08362	4.7
174.09123	4.1
175.08614	5.9
176.07060	1.5
183.06761	0.9
183.09143	10.6
184.07552	8.8
185.07066	78.4
186.05510	2.8
186.07382	2.8
186.09012	1.3
187.08684	2.7
188.06921	0.8
195.05528	0.8
198.09224	0.9
198.18492	1.3
201.10194	63.0
202.08621	1.8
202.10587	2.6
203.08200	0.7
203.11740	0.8
204.06523	2.1
208.16861	1.0
210.18471	2.1
211.08633	1.6
213.06557	13.6
214.06805	0.7
229.09688	40.6
230.08099	2.2
230.10036	1.9
231.07603	100.0
232.07913	3.1
247.10738	60.3
248.11064	2.1
254.17438	0.7
256.19095	1.6
268.19101	1.7
296.61835	0.6
310.21643	8.3
321.20236	0.6
328.22595	9.6
337.22729	2.4
339.24377	1.8
340.22760	0.8
355.23834	5.2
365.22177	0.7
366.20590	0.9
372.92627	0.7
383.23212	20.0
384.22992	1.3
401.24289	54.1
402.24661	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	401.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.7
56.05019	4.2
57.07068	16.4
65.03947	1.0
67.05483	4.7
68.05018	3.6
69.07049	4.0
70.02944	2.1
70.06578	4.1
71.08624	19.5
71.57831	1.7
71.58163	1.0
80.61591	1.0
81.07050	12.6
83.08580	1.3
85.10175	9.1
91.05456	1.0
95.08588	12.3
100.03943	2.6
102.05527	14.6
105.03393	3.5
114.05521	3.6
115.05418	1.7
118.06483	1.3
129.07043	1.2
130.06514	48.3
131.06848	1.3
132.04408	9.0
132.08058	5.6
143.07181	1.0
144.08078	2.4
146.06001	12.5
146.09697	2.5
148.07523	1.2
148.86470	1.2
155.14323	3.1
156.08087	7.5
157.07603	4.8
158.05998	100.0
159.06371	3.6
159.09166	2.3
160.07553	13.6
168.08038	6.1
169.07593	16.7
172.07565	3.9
173.08327	2.8
174.09167	5.1
175.08617	5.5
176.07181	1.5
183.09143	14.0
184.06070	1.4
184.07565	9.8
185.07072	62.7
186.05530	2.0
186.07478	2.3
186.09082	1.7
187.08621	3.0
188.07062	2.0
198.18419	1.2
201.10196	82.7
202.08624	3.0
202.10567	3.6
203.08211	1.8
204.06520	2.2
210.18478	1.7
211.08549	2.2
212.07025	1.3
213.06564	11.0
229.09703	20.6
230.08049	2.7
231.07620	81.5
232.07948	3.9
247.10750	89.7
248.11069	3.9
268.19031	1.5
310.21600	4.7
328.22668	6.5
337.22668	3.3
339.24411	2.3
355.23740	4.7
366.20660	1.1
383.23190	12.5
401.24310	49.6
402.24707	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	401.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73665	0.8
55.05494	1.5
56.05022	0.8
57.06829	1.1
57.07068	13.6
67.05498	5.1
69.07046	1.8
69.45374	7.8
70.02949	7.4
70.06575	1.7
71.05149	0.8
71.08246	1.1
71.08620	17.5
74.02404	2.5
77.38127	0.7
79.05491	1.0
81.07047	10.4
84.04494	1.0
85.10165	7.9
95.08597	12.8
102.05522	7.2
103.05412	0.9
105.03383	1.9
114.05509	1.8
115.05373	1.0
117.05759	1.1
118.06522	1.8
124.03966	0.8
129.06976	2.0
130.06514	20.0
131.07344	0.9
132.04431	2.4
132.08069	11.5
137.12201	0.8
142.06482	1.8
143.07213	1.6
144.04442	2.5
144.08070	7.0
144.25294	0.8
146.05981	8.6
146.09637	4.7
155.14262	3.3
156.08058	24.3
157.07532	4.3
157.08794	1.1
158.05991	24.8
158.09636	2.2
159.06378	1.5
159.09145	11.0
160.07553	22.7
166.06535	1.8
167.06024	1.1
167.07217	3.7
168.06810	1.0
168.08049	18.2
168.09486	1.1
169.07584	100.0
170.05986	1.9
170.07983	5.0
172.07539	1.0
173.10681	4.1
174.09134	6.6
175.08661	1.9
182.08340	2.8
183.09157	35.9
184.07585	16.8
184.09540	2.7
185.07053	8.1
185.10701	13.1
186.09213	1.5
187.08540	1.3
188.07068	8.2
201.10196	42.3
202.08594	6.8
202.10509	3.0
203.08208	1.0
203.11731	2.4
205.09700	1.5
211.08662	9.4
212.07074	5.1
213.06567	9.0
228.08847	0.9
229.09697	48.6
230.08112	5.3
230.10103	1.5
231.07587	17.9
232.08034	1.0
247.10741	83.2
248.11050	4.2
300.23254	1.7
310.21753	2.0
317.88882	0.8
328.22293	0.8
337.22659	2.3
339.24286	4.5
355.23782	2.6
356.22128	1.2
366.20578	2.7
383.23199	13.5
384.22922	0.9
401.24295	81.1
402.24579	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	401.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01875	13.0
55.05505	18.8
57.06831	3.0
57.07067	44.2
61.51574	2.1
63.26412	2.2
67.05493	24.9
68.70119	2.2
68.99788	5.6
69.03403	4.7
69.07057	17.8
70.06533	2.6
71.01327	3.7
71.04980	3.0
71.08626	26.6
71.78776	3.1
79.05504	11.7
81.03405	6.1
81.07047	25.8
83.01283	2.9
83.04966	4.6
83.08624	17.8
85.02868	8.2
85.06532	3.9
85.10161	16.0
91.05453	6.5
91.29711	2.6
93.03385	8.8
93.07034	11.9
95.04947	7.8
95.08596	43.6
97.02890	5.7
97.06493	3.4
97.10148	9.8
103.03887	4.7
103.05454	3.1
105.07002	6.8
107.04910	4.1
107.08575	4.7
109.02879	6.7
109.06474	3.1
109.10135	17.0
111.00809	3.4
111.04421	6.1
113.02347	4.9
115.03854	2.2
117.06990	4.1
119.08574	3.4
121.02840	6.6
121.06493	4.6
121.10139	6.0
123.04395	3.1
125.02317	6.4
127.03765	2.4
129.06984	2.4
130.06511	11.8
131.08549	5.3
132.69279	2.5
133.10141	2.8
137.02307	19.9
137.09576	2.7
139.03885	15.0
143.08476	3.9
146.05968	4.3
147.07965	2.9
149.02361	6.9
151.03850	6.6
155.03371	19.5
156.08041	5.3
158.05965	23.5
160.07405	2.5
163.03885	3.4
167.03403	5.9
167.07124	3.5
169.07553	11.8
173.04486	13.9
173.05780	2.7
181.15819	5.9
183.02844	2.8
183.09163	5.7
183.17442	11.5
184.07497	4.8
185.04453	6.4
185.07095	14.7
201.10159	17.9
203.05382	3.6
219.06506	9.1
229.09686	12.6
231.07587	17.3
247.10762	23.0
253.17958	4.0
277.18091	2.5
283.18921	6.2
293.17435	9.8
293.20679	4.4
295.18991	8.1
309.16867	3.6
311.18454	8.0
319.19009	7.4
321.20575	10.2
323.18359	3.3
335.18359	9.0
337.20120	20.9
347.18469	5.9
352.22046	2.4
355.21063	100.0
356.21359	4.3
365.19513	37.3
383.20157	14.9
397.61295	2.6
401.21817	8.4
401.24200	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	401.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	17.9
55.01863	25.6
55.05494	16.4
56.02154	4.1
57.03419	20.2
61.02914	14.1
61.50653	4.2
65.03918	11.8
66.72475	4.4
67.05487	34.4
68.99776	16.9
69.03422	67.2
69.07041	21.7
70.46269	19.7
71.04980	64.3
73.02882	8.3
79.05473	76.1
80.05834	5.1
81.03413	66.0
81.07038	57.6
83.04965	16.2
83.08598	5.6
84.37897	3.8
85.02889	100.0
85.03731	4.7
85.06531	6.2
87.00803	47.3
89.74354	4.5
91.05464	55.4
93.07029	73.4
95.04958	35.6
95.08584	38.1
97.02869	38.2
97.06522	13.7
98.21375	6.2
99.04430	24.4
99.08088	6.2
103.03925	15.6
103.05453	7.9
104.06222	4.2
105.01855	22.4
105.07008	61.7
106.07404	4.9
107.04929	24.0
107.08566	64.1
109.02850	38.2
109.06495	89.2
109.10139	35.2
111.04435	14.9
111.08093	11.0
113.06004	11.8
115.03905	17.0
115.05435	5.5
117.07002	30.6
119.04938	5.9
119.08566	54.2
121.02852	44.3
121.06470	38.1
121.10115	25.8
123.04408	32.8
123.08057	22.6
123.11742	6.6
125.06007	7.9
125.09627	6.2
127.03919	43.9
127.11102	6.4
128.06258	7.2
129.01839	9.0
129.07028	21.9
130.07797	7.0
131.08521	21.3
133.06432	22.1
133.10115	17.0
135.04398	4.9
135.08044	14.5
135.11700	37.4
137.05981	4.6
137.09573	20.7
139.11159	16.9
142.07768	4.7
143.08524	10.2
145.04941	12.7
145.06456	9.4
145.10097	24.3
147.02954	5.6
147.08017	23.5
147.11668	35.6
149.09547	10.3
149.13246	7.3
151.07538	21.4
151.11154	65.1
153.12711	16.9
155.08492	9.4
157.06465	10.1
157.10127	4.4
159.02856	12.7
159.08067	12.6
159.11638	20.8
161.09538	4.7
163.07590	7.4
163.11137	13.3
165.09076	7.6
165.12711	42.0
167.07031	6.6
167.10555	4.9
171.02850	5.2
171.11624	5.9
173.08267	8.2
173.09584	38.8
173.13254	6.3
175.07539	46.6
175.11096	8.2
177.12727	30.8
181.12199	8.5
189.03937	13.6
189.12692	6.5
191.10649	26.7
191.14249	5.1
193.08606	18.3
193.12187	10.2
195.13783	23.9
200.60699	4.3
201.12698	7.0
202.58044	4.6
205.08667	6.1
207.13860	5.9
209.11626	7.6
211.09589	6.1
215.14287	12.0
217.08559	5.4
219.04828	5.9
219.10097	6.3
219.13782	18.7
225.12608	5.7
231.04912	10.2
237.14793	8.9
240.10181	15.3
243.13695	27.6
261.14832	27.3
279.08569	11.5
279.15860	12.5
297.09711	10.8
297.17007	4.9
315.10938	28.7
330.10986	6.1
347.14682	8.5
365.16068	15.3
383.17160	24.1
401.17862	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	401.159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38438	0.6
53.03928	1.3
55.01843	0.9
55.05472	0.7
55.23632	0.7
61.14285	0.6
65.03912	0.8
66.04694	0.8
67.05486	1.6
69.03412	1.1
69.07031	1.1
69.81915	5.0
70.06581	0.8
72.08118	0.9
73.04102	0.7
78.56705	0.6
79.05472	2.3
79.32056	0.6
81.03408	0.8
81.07012	2.1
82.74689	0.6
85.02901	1.0
85.06512	0.9
91.05457	6.4
93.07018	5.0
95.04950	3.4
95.08585	1.6
97.06498	1.5
98.20731	1.2
102.04633	1.0
103.05447	23.7
105.03352	1.9
105.07008	6.3
107.04936	3.7
107.08565	1.7
109.10136	0.8
115.05473	2.0
117.06993	1.1
118.04149	5.9
119.04911	2.2
119.08529	1.8
120.05753	1.4
121.02839	2.6
121.06487	4.8
121.10111	1.0
123.04402	1.3
123.08016	0.8
130.04088	2.5
131.04915	21.9
131.08582	0.8
132.05687	1.4
133.02795	2.1
133.06464	4.2
135.08040	2.4
135.11679	1.2
137.02328	1.6
137.05962	1.1
145.06488	1.6
146.03625	2.1
147.04362	1.0
148.05157	13.9
149.05930	2.7
151.03917	1.2
151.07478	0.9
157.10124	0.7
159.07965	1.1
160.05219	0.8
161.05956	1.6
163.07524	21.8
166.06242	2.3
167.07008	6.0
171.06415	0.8
173.05923	1.9
176.04597	3.3
177.05475	0.9
181.04996	7.0
181.08562	28.6
182.08922	0.9
191.06998	100.0
192.07544	4.2
193.08565	6.9
205.08600	1.3
210.08766	1.2
217.08546	1.6
219.08026	0.9
219.09982	0.9
227.06998	1.0
233.09459	0.9
247.09581	1.4
269.08121	1.6
293.08078	0.8
296.12796	4.6
315.08633	2.2
323.12665	1.0
330.11008	5.0
337.10785	1.0
343.11713	1.1
351.12250	1.2
383.14847	3.3
401.11346	0.8
401.16010	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.1
57.07061	9.2
59.04990	100.0
60.69599	1.1
67.05499	2.2
71.08619	4.5
71.79750	1.7
72.08151	2.2
79.05484	2.7
81.07043	2.8
83.08606	1.8
85.10172	2.9
87.04441	2.3
91.05462	2.8
93.66795	1.2
95.08570	5.7
95.38112	1.1
102.01995	1.1
102.35913	1.2
105.06998	2.8
107.08580	4.2
109.10152	2.0
111.21098	1.2
119.08478	1.4
121.10130	1.8
123.11688	1.6
133.10089	1.4
183.17438	2.8
206.71051	1.2
280.05112	1.1
305.04446	1.2
400.17111	2.0
401.13382	2.5
401.17859	3.5
401.28485	1.3
401.37814	3.7
411.54108	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1137
Annotation	S-Acetylphosphopantetheine
Peak:m/z	Relative Intensity
55.01861	0.8
56.18689	0.4
57.07052	2.3
61.01134	3.1
65.49432	0.5
67.05479	2.1
69.03400	0.7
69.07040	1.3
70.06563	2.3
71.32744	0.9
72.04497	9.0
73.02892	1.4
78.03766	1.3
81.03374	0.9
85.02889	1.4
85.06526	4.9
86.09683	2.5
88.01698	0.9
88.02199	12.3
95.04955	2.8
96.08091	1.0
97.02859	1.1
98.02392	1.6
98.98439	2.0
99.05561	14.9
102.03737	0.9
103.02143	11.3
104.01657	0.6
106.02903	2.3
107.21030	0.6
109.02839	1.1
112.07574	1.5
113.05979	5.1
114.03755	4.2
114.05508	0.8
115.04998	1.6
120.04771	1.9
124.03924	5.4
124.07547	5.6
125.07074	2.2
127.03881	0.9
130.03209	0.5
130.08636	2.3
132.04768	13.6
138.09070	0.5
141.06561	1.8
142.08601	15.4
158.02669	1.3
159.05849	27.6
161.00742	0.7
163.03888	2.5
164.04170	1.0
166.08601	1.9
174.05803	2.9
175.05336	8.2
176.06989	0.7
181.04951	0.7
183.04131	3.6
184.09680	7.1
191.08530	1.2
201.06903	5.3
201.12747	0.6
217.06363	0.6
221.11647	0.5
222.07539	0.8
240.06451	1.1
243.11586	1.4
250.07156	1.5
261.12573	4.7
268.08099	2.1
282.07397	1.0
285.12695	1.5
303.13669	100.0
304.14026	4.7
359.10388	0.9
401.11237	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	400.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	17.8
57.07055	48.2
58.07410	9.7
59.04984	31.5
60.89614	10.1
67.05480	37.1
69.07060	13.5
71.08612	32.0
71.79383	8.2
71.79749	10.3
72.04503	72.2
74.10060	8.6
79.05480	25.4
81.07037	45.8
83.08605	10.9
85.10175	22.8
87.04454	21.7
88.07623	8.5
89.07078	9.4
91.05457	36.2
93.07018	28.5
95.04987	8.9
95.08603	48.1
96.75636	10.3
105.07025	63.0
107.08596	27.7
109.06470	27.1
109.10169	14.5
119.08534	29.5
121.06480	16.6
121.10130	15.1
131.08549	26.5
133.10104	100.0
143.08482	10.4
145.10049	15.7
147.11659	9.6
151.11159	20.1
155.14243	9.1
156.09406	11.3
157.10178	18.1
158.05948	19.8
160.07520	11.3
169.07593	19.6
201.10225	22.4
213.06569	11.1
229.09720	16.5
231.07629	18.8
247.10805	17.3
331.29999	86.1
362.88568	10.3
400.31058	12.5
400.37640	37.0
401.23724	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	400.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59512	0.1
55.05505	0.2
57.07082	0.2
65.03912	0.3
67.05492	0.2
71.08610	0.2
71.10757	0.2
71.11105	0.4
77.45508	0.2
79.05490	0.4
81.07070	0.1
83.04957	0.2
91.05465	5.4
92.05800	0.2
93.07065	0.2
95.04963	0.3
97.06521	0.5
104.98846	0.2
105.03365	1.3
105.07021	0.2
107.04937	0.3
109.02850	0.2
111.04433	0.5
114.05499	0.3
119.04927	1.2
121.02845	19.6
121.10105	0.1
122.03215	0.4
123.04460	0.2
137.02272	0.3
153.01805	0.3
165.06967	0.2
166.29623	0.1
167.07166	0.2
167.08574	0.4
183.08022	0.4
192.00043	0.1
192.08096	0.2
195.07948	0.3
217.04877	0.2
220.07539	1.5
238.08591	100.0
239.08936	5.3
239.11450	0.2
245.04500	0.2
246.04764	0.3
268.96664	0.1
273.03897	0.2
274.04318	0.3
286.04190	0.2
298.84866	0.1
301.03473	0.2
302.03699	0.3
303.04648	0.2
304.05197	0.2
313.03290	0.4
314.03732	0.9
326.07111	0.2
356.08527	0.9
400.10892	3.3
400.14359	1.6
401.11093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	3.5
55.51987	0.9
56.05008	2.6
57.06826	1.0
57.07066	12.9
59.04974	1.6
64.12202	0.8
67.05495	5.5
68.05010	5.4
69.07062	4.2
70.02966	1.3
70.06573	1.0
70.63850	3.2
71.08616	9.6
72.15520	0.9
79.05470	3.9
81.07043	6.7
82.06541	3.5
82.71542	0.9
83.04959	1.7
83.08586	1.6
84.04469	2.5
85.06512	0.9
85.10162	7.4
88.07640	1.1
91.05442	4.6
93.07000	2.4
95.04939	2.8
95.08590	11.6
96.04475	2.4
97.10164	1.2
100.03955	3.7
101.05969	1.1
102.05531	1.6
105.06990	2.3
107.08569	5.1
109.06474	3.3
109.10120	3.4
111.04383	1.4
115.05408	2.0
117.05743	1.9
117.06991	3.1
118.06515	33.5
119.06792	1.0
119.08548	0.8
121.10169	1.2
123.11681	1.1
129.05420	1.3
130.06499	35.5
131.06787	2.1
132.08049	10.9
135.08025	2.0
137.44287	1.0
142.06531	4.7
143.07274	4.2
143.08392	0.9
144.04466	1.2
144.08049	22.2
145.06480	1.2
145.08347	1.1
145.10109	1.4
146.05980	78.7
147.06387	3.6
154.06454	1.2
155.14232	1.4
156.08022	1.7
158.09595	8.9
159.09122	3.6
168.08066	8.6
169.07565	23.0
169.15863	2.7
170.05984	9.9
170.09654	1.4
184.54408	0.9
185.10716	3.7
187.12274	1.5
188.07027	60.5
189.07376	1.7
206.19060	1.3
212.20090	19.5
214.08606	4.5
215.08105	73.8
216.08525	2.7
222.18564	3.3
224.20027	8.1
231.11226	6.6
235.07446	1.6
235.10881	1.2
250.09851	1.2
251.10265	2.7
252.10857	1.3
265.12289	1.5
266.12650	1.3
268.18951	1.4
270.20572	10.7
308.23737	0.9
319.12814	0.9
323.12543	2.5
326.24765	6.9
348.13510	2.9
351.11877	1.5
353.25977	1.6
365.13596	3.4
366.14285	2.3
381.16629	8.3
399.17819	5.6
399.26349	100.0
400.26587	8.7
400.37808	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	399.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39735	11.2
54.69785	14.5
56.05037	14.1
71.55494	31.4
74.10248	11.2
94.92993	16.8
97.02892	30.3
102.05495	18.4
103.56078	12.1
136.06177	43.6
177.61674	11.3
189.33838	13.0
204.87012	16.8
212.85193	49.6
250.09366	86.3
250.80803	14.9
298.09763	17.8
399.06830	100.0
399.11014	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
55.05481	0.8
57.07057	1.5
69.03415	1.1
70.06567	2.4
71.08604	2.2
71.78180	1.4
83.04961	1.5
85.02893	1.5
85.10162	1.1
97.02881	2.9
97.22064	0.6
101.06003	2.0
102.05521	2.2
110.07034	0.7
111.04391	1.0
120.08094	4.4
127.03788	0.9
129.05446	1.7
135.04437	1.2
136.06161	12.2
147.04460	0.7
147.06549	1.7
151.03879	0.8
157.06363	0.7
163.03873	2.6
166.08548	1.3
244.11209	0.7
250.09373	3.1
268.10358	1.8
399.12549	100.0
400.12805	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	398.2661
Annotation	phytosphingosine-1-P
Peak:m/z	Relative Intensity
51.56674	0.6
53.03934	1.5
55.05505	3.4
56.05037	2.8
57.03425	1.6
57.07069	4.0
58.02934	0.8
58.06597	0.9
58.30177	0.8
60.04516	100.0
62.72416	0.6
67.05488	4.0
68.05028	0.9
68.79682	0.5
69.03436	0.7
69.07054	4.4
69.23784	0.5
70.06606	0.8
71.08611	2.9
71.79500	0.9
72.04522	0.6
74.06073	8.2
79.05490	1.7
81.07040	4.5
82.06570	1.2
83.04993	1.3
83.08604	3.5
85.02924	0.6
85.10188	0.8
89.27827	0.6
90.05563	1.0
91.05489	1.5
93.07049	2.2
95.04956	1.6
95.08585	5.0
97.10171	2.5
98.98454	1.1
105.03376	9.9
105.07018	3.6
105.30048	0.7
107.08624	1.6
109.10178	1.9
111.11743	0.7
121.06554	1.1
121.10152	1.3
122.06866	0.8
123.11723	0.8
130.06496	1.4
131.93486	0.6
133.10158	0.8
135.11696	0.8
140.01102	1.6
146.05997	1.3
147.16631	0.5
150.32094	0.5
152.06563	0.6
154.62683	0.6
164.17583	0.6
202.05084	1.0
264.26831	3.3
265.25174	1.3
282.27872	7.4
285.36655	0.6
294.17953	1.3
300.28931	58.5
301.29230	4.1
303.19681	0.5
353.24780	0.9
366.19824	1.1
398.09442	0.8
398.14188	1.7
398.26288	14.1
398.30548	3.0
399.12653	0.9
399.26712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
56.17860	0.8
57.03405	1.1
61.02911	1.0
67.05463	1.0
69.03429	5.5
71.04597	1.2
71.04978	14.9
71.48256	1.4
73.02887	0.9
80.05724	0.9
81.03394	3.6
81.72608	0.8
83.04963	1.0
85.02895	11.1
85.06530	4.2
89.06012	100.0
96.91013	0.9
97.02875	19.8
99.04440	4.5
103.03899	0.9
107.01678	0.8
109.02856	8.1
111.04439	1.1
127.03883	10.3
128.04204	1.4
131.04913	2.3
135.06505	33.4
145.04935	11.1
163.03925	2.7
163.07581	1.1
167.07092	1.4
210.08572	0.8
211.09663	0.8
215.09076	1.9
236.12865	1.0
243.08644	3.8
261.09641	7.4
267.11206	1.3
279.10745	7.5
347.52271	0.9
398.14008	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	398.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.05490	1.9
57.03413	1.2
61.02912	1.6
64.50110	1.0
69.03410	7.2
70.06573	1.3
70.12892	5.6
71.04971	4.3
73.02902	2.4
81.03409	12.5
83.04939	1.3
85.02890	67.3
86.03208	1.1
89.49319	1.0
97.02876	16.5
98.21391	1.7
99.04436	36.9
100.11241	1.2
103.03925	95.1
104.04269	1.4
109.02850	18.3
110.03152	1.7
127.03895	100.0
128.04221	2.3
145.04933	64.5
146.05321	2.2
161.66862	0.9
163.05992	62.6
164.06425	1.7
169.05014	1.3
187.05992	3.9
196.88460	1.0
205.07115	4.8
243.22348	1.2
253.07054	1.5
271.08078	6.1
289.09128	6.8
307.10202	13.2
331.15753	1.0
336.57504	1.1
363.16470	3.3
398.10947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62045	1.7
53.03915	2.2
55.01853	1.8
57.03426	20.8
59.04983	3.8
60.04507	1.9
61.02900	4.3
67.05478	3.9
69.03418	73.1
69.07053	11.9
70.06586	4.6
70.27983	1.5
71.04960	5.0
71.81417	2.8
73.02906	6.1
75.04487	2.3
79.05489	2.5
81.03400	6.0
81.07047	8.4
83.04975	2.1
85.02890	81.5
85.06530	3.6
86.03191	2.3
86.09686	2.8
87.04453	60.4
89.06047	9.6
91.03928	2.0
91.05464	5.5
93.07040	10.4
95.04948	5.1
95.08562	3.2
97.02879	76.5
97.06490	5.4
99.04455	7.7
103.03922	5.6
103.05422	1.9
105.06997	4.7
107.08566	5.1
109.02846	7.0
109.06487	2.7
111.04395	1.6
111.08054	12.6
115.03912	88.2
115.73715	1.7
119.04926	2.9
119.08576	3.3
120.08080	3.0
121.06456	2.0
123.08066	2.9
127.03885	20.5
128.04338	1.7
133.04947	100.0
135.02618	3.7
135.06506	2.6
135.08049	3.8
137.09558	2.3
141.09119	3.2
145.04939	27.4
147.04373	8.4
147.07996	3.4
150.07605	15.8
153.09096	7.4
161.55721	1.9
163.03891	3.8
163.05988	16.3
165.09084	7.2
170.49835	1.9
171.10150	2.3
183.10127	9.3
189.11200	5.7
195.10141	6.7
200.29401	1.8
201.11177	8.0
213.11201	4.7
219.12190	8.3
225.02010	2.2
241.06956	2.6
254.35626	2.1
259.07977	5.7
272.38910	2.1
277.09271	4.1
295.10135	4.2
398.13153	1.7
399.07666	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53508	0.8
53.03924	3.4
57.03419	1.6
57.07047	1.2
61.02911	3.1
61.71343	1.0
65.65718	1.1
69.03420	11.0
71.04980	4.6
71.13266	2.6
73.02912	2.9
81.03400	10.6
85.02892	69.3
87.71572	1.0
91.05463	1.3
97.02876	20.3
98.70963	0.9
99.04440	34.7
103.03925	91.2
103.49691	0.9
104.04223	1.5
109.02869	15.2
111.12036	0.9
115.03891	0.9
121.02782	0.9
127.03894	100.0
128.04228	2.4
145.04939	56.6
163.05994	51.1
165.01752	1.2
169.04944	1.0
177.13629	1.2
187.05978	4.2
202.96619	1.0
205.07066	2.7
222.11234	2.1
253.07068	1.4
271.08124	7.4
285.07651	1.1
289.09250	4.8
307.10159	10.9
363.16498	2.3
381.10257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.0
54.29228	0.4
54.78858	0.4
57.07069	0.8
58.06572	0.5
60.21853	0.4
64.59425	0.5
67.05482	0.8
71.08605	0.9
71.79166	0.8
79.05439	0.7
81.07046	0.9
83.08573	0.6
91.05430	1.9
95.08573	1.0
97.02840	0.6
105.03374	17.3
105.04443	0.7
105.07003	1.3
118.06471	0.6
121.06458	0.9
121.10181	0.7
128.06190	0.7
130.06514	0.8
138.54707	0.4
140.77290	0.4
160.07494	0.6
165.06960	0.9
178.07794	1.2
179.08546	3.5
180.09265	0.8
182.19014	1.1
189.06952	1.5
190.07756	3.0
191.08479	4.0
192.09262	0.8
193.06479	0.8
202.07730	1.2
203.08531	3.5
204.09164	0.6
205.06494	1.5
205.10101	2.2
206.07237	0.9
207.08023	8.7
208.08768	6.0
215.08479	0.5
217.06464	1.6
218.07217	4.3
219.08035	10.0
219.10124	0.8
220.08791	1.0
221.05957	4.1
221.09535	4.2
222.06691	0.9
222.10306	0.9
228.19521	3.0
228.23283	0.6
231.07970	0.6
232.08751	0.8
233.06119	0.7
233.09558	4.3
234.10364	22.8
235.07495	29.6
236.08250	7.1
236.10693	1.7
237.09210	0.6
247.07597	0.6
248.08395	0.9
249.09068	2.3
250.09862	29.8
250.12187	2.8
251.10629	30.1
252.10983	1.3
262.12143	1.3
263.10623	1.1
264.10117	1.4
265.12207	38.5
266.12543	1.4
267.08929	0.6
276.10080	3.0
277.10849	0.8
278.11703	5.3
279.12579	2.3
285.10104	0.5
291.10062	1.1
292.13303	5.6
293.14078	2.3
294.12726	1.9
304.11115	10.8
305.11984	1.2
307.11316	0.6
317.17450	0.6
318.12720	9.9
319.13409	1.7
319.56287	0.6
320.10745	0.7
322.12231	37.7
323.12643	2.5
328.11111	0.7
329.11987	0.5
330.12570	2.5
332.10651	1.4
336.13776	1.3
337.12231	2.1
339.10083	0.7
346.12259	7.7
347.12970	30.0
348.13507	3.4
349.10883	0.6
349.14545	1.9
350.11682	22.9
351.12180	0.9
364.13254	59.0
365.13998	19.2
366.14325	0.7
369.14899	1.3
380.16382	100.0
381.16867	6.8
392.95676	0.6
398.17441	59.6
399.17770	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	398.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
53.61301	0.5
55.05487	0.6
57.07055	0.8
65.00129	0.6
67.05482	1.0
68.99384	0.5
69.07034	0.8
71.81487	0.9
81.07031	2.7
88.07600	0.9
91.05473	3.9
93.07033	1.2
95.08571	1.3
98.09660	1.3
99.10016	0.6
105.03371	29.6
105.04469	1.5
105.07009	2.0
107.04838	0.6
116.05775	0.6
117.43054	0.6
119.08553	1.4
121.10155	0.7
121.25158	0.5
125.14728	0.6
130.06502	0.8
135.11671	1.1
145.10036	0.9
150.53467	0.6
165.06964	1.1
168.08153	0.6
178.07780	1.2
179.08499	3.5
180.09370	1.1
189.06992	1.7
190.07765	2.1
191.08575	5.1
193.10139	1.2
202.07657	0.8
202.61469	0.6
203.08546	3.1
204.09180	0.8
205.09946	1.5
206.07291	0.7
207.08002	8.1
208.08781	5.1
217.06500	1.4
218.07291	3.2
219.08018	7.9
221.05870	3.0
221.09619	2.6
222.06613	0.9
222.10309	0.8
233.06007	0.7
233.09595	4.2
234.10362	21.4
235.07510	23.2
235.10939	1.3
236.08411	4.7
236.10532	1.1
247.07637	0.7
248.08221	1.9
249.09027	2.2
250.09900	26.6
250.12259	3.3
251.10606	25.1
252.10939	0.7
263.10559	1.4
264.06696	0.7
264.10196	0.8
265.12183	33.4
266.12292	0.7
268.20587	0.6
276.06683	1.1
276.10153	3.2
277.07477	0.7
277.10373	0.7
278.08054	2.7
278.11679	3.8
279.12341	2.6
290.04434	0.8
291.10211	1.0
292.05945	1.4
292.13281	6.2
293.14035	1.7
294.12811	2.4
294.19205	0.8
304.11099	11.0
305.11844	1.8
306.12592	0.9
317.11841	1.1
318.12750	12.5
319.13361	2.1
322.12225	42.8
323.12680	2.7
324.10217	1.4
328.11002	0.9
330.12689	2.0
332.10626	2.3
334.12225	1.2
335.10361	0.9
336.13806	1.5
337.11746	2.4
346.12216	7.1
347.12976	37.1
348.13605	3.7
349.10944	0.9
349.14661	1.5
350.11676	22.7
351.11993	1.3
352.09656	0.8
353.11038	0.9
354.11200	12.3
355.11487	0.8
364.13248	64.3
365.13965	18.4
366.11060	1.1
367.11865	1.0
368.09149	1.5
369.09964	9.7
369.14435	1.1
380.08713	3.3
380.16376	100.0
381.17017	3.5
382.10666	41.9
383.11325	5.5
384.12244	0.8
397.38422	1.9
397.82196	0.8
398.13702	71.3
398.17593	50.8
398.25742	1.8
398.36636	0.8
399.13754	5.8
399.17120	1.0
399.18451	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43999	1.2
53.66505	1.3
54.58178	1.3
55.05495	11.6
57.07061	17.8
67.05492	24.9
67.12392	1.3
69.07055	25.8
71.08617	15.3
71.25776	3.5
77.44350	1.3
79.05478	12.6
81.07037	52.6
83.08594	15.4
85.10160	11.0
91.05462	14.6
93.07025	27.7
95.08589	53.1
95.78980	1.3
97.10146	12.1
105.07007	30.6
107.08572	22.4
107.45564	1.4
109.10132	35.8
109.10865	2.6
111.11694	8.4
117.07007	2.3
119.08562	20.1
121.10123	21.8
123.11702	14.1
125.13249	3.3
126.84923	1.2
131.08548	3.8
133.10097	18.7
135.11656	33.3
137.13206	4.5
145.10101	6.0
147.11658	53.5
149.13229	20.1
151.14804	5.3
159.11690	5.2
161.13225	40.6
162.05962	1.4
163.14798	6.9
165.16357	3.3
173.13231	4.0
175.14774	17.0
177.16339	2.6
179.17987	1.5
187.14790	3.2
189.16338	9.6
193.19418	1.9
201.16356	5.5
203.17906	9.3
215.17932	9.5
217.19516	4.3
221.22766	2.3
226.45302	1.6
229.19530	4.3
243.20972	7.0
247.24297	1.9
257.22598	6.2
261.25735	4.6
271.24109	2.5
275.27371	1.5
287.27286	4.7
299.27310	2.1
301.28720	2.6
315.30435	4.7
328.98380	1.3
397.38235	100.0
398.38531	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	397.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.3
57.07067	61.2
67.05495	21.5
69.07057	10.6
69.60786	5.0
69.61221	4.7
71.04984	8.6
71.08620	85.7
72.08952	1.3
75.19250	1.0
79.05469	4.4
81.07043	57.7
83.08603	4.7
83.36203	1.0
85.06514	3.0
85.10169	45.8
85.79059	1.0
86.10491	1.0
87.08099	1.5
88.11256	2.7
91.05456	1.6
93.07017	4.9
95.04940	1.8
95.08595	66.3
96.08922	1.2
97.06509	1.2
97.10143	1.8
99.04441	28.8
105.07027	1.9
107.08564	1.3
109.06541	1.1
109.10133	2.4
119.08553	2.4
119.85938	0.9
119.96118	1.1
121.10126	2.9
123.08056	1.4
133.10172	1.8
135.11687	2.7
137.13228	10.8
155.14287	100.0
156.14622	3.7
161.13257	3.1
209.15381	1.3
211.16895	20.5
225.18506	3.8
242.49625	1.1
253.17958	14.3
288.10983	0.9
305.28378	3.3
333.27808	1.9
337.30927	2.2
365.30466	40.4
366.30618	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.05499	0.8
56.52072	0.2
56.96560	0.3
57.07053	0.4
61.34268	0.2
64.01535	0.2
67.05492	0.7
68.05012	0.3
69.03411	0.1
69.07055	1.8
71.08630	0.3
71.81202	0.2
72.24545	0.2
79.05473	0.5
80.05006	0.4
81.03397	0.2
81.04519	0.2
81.07041	1.1
82.06563	0.2
83.08595	1.0
91.05457	0.4
93.07034	0.4
94.05296	0.3
94.06539	0.8
95.04951	0.5
95.06081	2.0
95.08574	0.5
97.02862	0.2
102.78665	0.1
105.03378	3.8
105.06998	0.3
106.06525	0.3
107.04947	0.3
107.06059	2.2
107.08561	0.4
110.11593	0.2
111.05511	0.3
119.08517	0.3
121.07618	1.4
130.06522	0.6
132.04407	0.4
133.10086	0.5
135.08224	0.2
135.09120	1.1
137.05975	0.3
144.08084	0.2
146.05946	0.3
147.11662	0.3
149.05989	0.2
149.10701	0.9
158.05978	0.3
163.11052	0.2
163.12282	0.3
165.08917	0.2
169.07582	0.5
170.06087	0.2
170.08244	0.2
172.07556	0.4
177.13829	0.2
181.07697	0.3
182.06024	0.2
182.08379	0.5
184.06204	0.9
184.07675	0.2
185.07086	0.8
189.50697	0.2
195.09126	0.8
196.07631	0.2
197.07074	0.6
198.07820	1.3
199.08624	0.5
204.17441	0.2
211.08679	0.5
211.13219	0.2
216.62233	0.2
219.18576	1.8
225.10197	3.1
239.11565	0.2
239.21681	0.2
259.15012	0.2
267.09073	0.4
267.12192	0.3
270.09970	0.2
270.22189	0.2
283.10767	0.5
285.10074	1.0
285.12772	0.2
298.21518	0.2
308.11380	0.3
325.22702	11.2
326.23019	0.6
349.16293	0.2
351.24295	0.2
354.11206	0.8
382.10715	0.4
397.24796	100.0
398.14072	0.2
398.25131	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01853	0.7
55.05487	0.6
56.96532	0.6
57.03419	1.3
60.34010	0.6
65.03917	2.2
69.03416	7.6
69.07048	0.6
70.06564	0.9
71.04975	2.7
71.81599	0.7
81.03403	14.6
81.07053	0.7
83.04964	1.8
85.02892	23.9
91.05465	100.0
92.05805	2.1
95.04961	1.2
95.08617	1.0
97.02879	5.2
99.04439	13.5
100.11281	0.7
103.03925	24.0
105.03492	0.7
105.07019	2.6
109.02859	20.2
111.04485	0.9
119.08533	1.1
123.04438	0.9
125.02299	0.7
127.03891	47.9
129.06993	1.0
131.08585	0.7
133.06483	0.7
137.05969	0.6
143.08557	1.4
145.04945	6.8
147.04419	1.6
151.30093	0.7
163.03920	0.7
163.05965	3.6
166.08575	0.8
171.08049	1.3
175.07506	1.2
182.15356	0.9
187.06026	4.9
199.07469	1.4
210.14885	1.5
217.08630	1.5
253.06995	1.3
271.08093	1.8
354.23721	1.2
397.12302	4.3
397.17480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
56.96545	0.2
57.07061	0.5
61.02883	0.2
67.05476	0.7
68.04999	0.2
69.03417	0.3
69.07056	2.0
71.79123	0.3
79.05470	0.2
80.04999	0.4
81.07037	0.8
83.08599	0.9
91.05448	0.5
93.07069	0.3
94.05299	0.3
94.06531	0.5
95.04945	0.5
95.06082	2.2
95.08588	0.5
105.03375	3.8
105.06976	0.4
107.04931	0.3
107.06046	2.0
107.08636	0.2
108.08099	0.2
109.10110	0.2
111.05516	0.3
119.08578	0.5
120.04435	0.2
120.08041	0.2
121.07619	1.3
121.10055	0.2
130.06552	0.3
132.04388	0.2
132.08064	0.2
133.10095	0.6
135.09132	1.2
135.11598	0.2
137.05927	0.3
139.03885	0.2
144.08044	0.2
146.06075	0.3
149.10695	0.9
158.05959	0.5
163.12308	0.4
169.07567	0.6
170.06041	0.3
177.05415	0.3
182.05920	0.3
182.08366	0.7
184.06305	0.7
185.07071	0.8
187.03737	0.2
193.12225	0.2
195.09122	0.9
197.07033	0.5
198.07845	1.4
199.08635	0.4
204.17487	0.3
210.11377	0.2
211.08597	0.4
215.80086	0.2
219.18539	1.5
225.10216	2.9
267.08997	0.4
267.12082	0.4
269.10733	0.2
270.09949	0.3
283.10684	0.4
285.10056	0.8
298.21457	0.4
308.10837	0.3
324.22086	0.2
325.22699	10.5
326.23163	0.3
333.09302	0.2
336.09915	0.3
350.11823	0.2
351.24075	0.2
354.11179	1.4
379.11884	0.4
382.10651	0.6
397.14182	2.1
397.24792	100.0
398.13522	0.5
398.25092	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	396.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08046	0.3
53.03937	2.2
53.68151	0.3
55.05473	0.3
56.96550	0.5
57.07076	0.4
59.16882	0.3
60.04522	2.1
60.37745	0.3
67.05491	0.7
69.07058	0.6
70.06581	1.5
71.07213	0.9
75.53546	0.3
77.03916	0.7
77.73905	0.3
79.05489	0.7
81.03401	0.8
81.07034	1.1
85.02888	0.4
90.65041	0.3
90.92953	0.3
91.05463	11.0
93.05782	0.6
93.07029	18.9
94.07351	0.4
95.04952	5.1
95.08610	0.7
96.99659	0.3
97.56696	0.4
103.05449	13.3
105.03381	3.5
105.04502	0.7
105.07001	1.4
107.07361	0.4
108.04446	0.5
115.08660	0.8
116.09055	0.3
119.08532	0.7
120.08116	0.7
121.06483	100.0
122.06038	0.6
122.06789	1.7
122.09641	0.9
134.05995	0.6
148.07532	0.9
162.09094	0.8
164.10698	1.3
173.01897	0.3
191.16566	0.3
216.40076	0.3
218.07306	2.1
227.10304	0.7
233.09587	3.6
234.18526	0.7
234.22136	0.5
243.06429	0.4
276.23175	41.6
277.23358	2.0
298.27408	1.3
378.18799	0.4
396.28906	85.8
397.24643	0.5
397.29318	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.0
55.05490	2.3
57.07054	1.8
66.85755	1.1
67.05490	12.4
69.03423	3.0
69.07057	13.6
70.70216	1.4
70.70566	2.9
71.04962	1.3
73.02509	2.3
73.02905	37.9
75.41027	1.1
79.05480	5.6
81.03397	2.5
81.07040	13.2
83.04962	5.3
83.08596	3.1
85.02908	8.7
85.06539	1.9
85.83900	0.9
88.08406	1.0
93.07041	9.1
95.04939	1.2
95.08591	29.9
97.02871	2.4
97.06516	4.9
97.10135	1.5
101.06020	6.3
107.04925	1.6
107.08595	9.2
109.02858	3.4
109.10135	9.4
111.08060	5.0
111.11668	1.3
113.09664	1.0
120.08026	1.5
121.10107	8.3
125.09579	1.2
127.03879	3.8
135.11649	3.3
137.13231	11.0
145.04961	2.0
147.06772	1.6
153.12770	1.2
159.08054	1.3
163.14795	16.7
173.09682	1.4
173.11774	1.0
176.10727	2.1
177.07805	3.5
181.15842	25.8
199.16904	100.0
200.17287	2.2
202.12292	3.7
204.10219	1.5
213.12646	1.3
216.10245	1.4
216.31413	1.1
217.17966	6.7
230.15302	2.0
231.13831	1.7
258.14807	6.7
272.47549	1.0
273.13544	9.0
302.17462	38.0
305.16232	2.2
316.19067	2.1
334.20062	41.8
335.20361	2.3
360.21738	5.2
378.22690	12.6
378.78931	1.0
396.23779	35.2
396.29041	1.8
397.10974	1.0
397.24188	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.4
55.05503	20.8
57.03413	2.9
57.06817	1.3
57.07064	12.0
58.73932	1.1
59.04977	2.0
61.02905	1.9
67.05495	7.7
69.03418	6.7
69.07058	22.8
70.54462	2.1
71.04960	3.3
71.08613	7.6
73.06544	1.5
76.68327	1.0
78.04545	1.1
79.05467	3.5
81.03394	3.2
81.07046	19.6
83.04956	2.8
83.08607	32.5
85.02889	24.6
85.06505	4.0
85.10150	4.5
93.07038	10.5
95.08584	13.9
97.02866	5.6
97.06519	9.8
97.10149	22.8
97.10722	0.6
99.04401	2.1
99.08060	1.7
101.05987	2.6
102.96568	1.1
105.07005	1.1
107.08572	19.9
109.02844	2.1
109.10105	5.3
111.08064	9.6
111.11698	1.3
115.07555	2.6
115.11183	3.7
121.10116	14.1
123.11653	4.5
125.09620	9.7
127.03892	5.9
129.09065	4.2
135.11670	4.9
137.13179	1.6
139.11143	2.9
139.14793	2.4
140.46938	1.0
143.10666	2.7
145.04922	2.9
147.04309	2.0
148.04762	1.2
154.97951	1.1
157.12186	1.4
163.14792	67.5
164.15137	1.7
166.09923	1.1
170.97409	1.0
181.15848	79.2
182.16185	2.5
199.16902	100.0
200.17238	2.1
217.17957	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15371	0.5
55.05508	3.8
56.05033	3.7
57.03428	1.6
57.07068	1.6
60.04517	100.0
61.75546	0.5
66.64333	0.5
67.05496	7.2
68.05023	0.6
69.07055	5.0
70.06573	0.5
71.08620	1.1
71.43040	1.4
72.04515	2.5
74.06075	7.6
79.05483	3.9
79.07186	0.5
80.05014	2.9
81.03439	0.6
81.07042	9.0
82.06582	0.8
83.04990	0.5
83.08604	3.8
86.06044	0.7
87.11380	0.5
90.05554	2.5
91.05483	2.8
93.07013	4.4
94.06554	1.0
95.04975	1.2
95.08592	10.0
97.10201	1.1
98.98479	1.1
102.05520	1.2
105.03404	1.0
105.07043	1.5
107.08610	2.3
109.06532	0.6
109.10148	3.1
119.08634	1.5
121.10130	1.7
122.09673	0.6
123.11734	1.6
133.10139	2.0
135.11658	1.3
137.05954	3.6
137.13301	1.1
140.01086	2.5
147.11664	0.7
233.22722	0.7
242.24832	0.8
245.22760	0.8
262.25259	3.8
263.23776	1.6
268.74905	0.6
280.26349	8.9
298.27371	51.9
299.27914	2.3
308.10947	0.9
325.22806	2.1
350.11905	0.7
354.11490	2.1
379.11948	0.9
382.10938	0.8
396.25134	17.4
397.13400	3.1
397.24829	22.0
413.32956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
53.14230	0.3
55.01862	0.3
55.05505	3.1
56.05027	3.1
57.03426	1.4
57.07067	2.3
60.04517	100.0
61.04865	0.5
62.04580	0.3
65.03940	0.3
66.42346	0.3
67.05498	7.3
67.05836	0.6
69.03413	0.5
69.07063	4.8
70.06588	0.8
71.04974	0.6
71.08613	1.4
71.78806	0.4
72.04516	2.5
73.02927	0.3
74.06069	8.0
79.05485	4.3
80.05015	2.6
81.03419	0.9
81.06590	0.6
81.07044	8.5
82.06558	0.8
83.04961	0.6
83.08611	2.9
84.04519	0.4
84.08140	0.3
85.10187	0.6
86.06031	0.5
87.04446	0.3
90.05527	1.4
91.05474	3.0
93.07038	3.1
94.06558	0.8
95.04937	1.5
95.08589	7.3
95.09180	0.5
96.08081	0.6
97.06509	0.5
97.10149	1.7
98.06051	0.4
98.98467	1.1
102.05523	0.9
105.03365	0.7
105.07016	1.7
107.08578	2.4
107.28091	0.3
108.10961	0.3
109.10161	3.1
111.08078	0.3
111.11684	0.6
112.07571	0.7
117.07033	0.5
119.04962	0.3
119.08570	2.2
121.06477	1.1
121.10125	1.9
123.08073	0.4
123.11681	1.2
125.13267	0.3
131.08578	0.4
133.10135	1.3
135.11691	1.4
137.09662	0.4
137.13217	0.7
140.01047	2.2
142.42514	0.3
147.11690	0.6
149.13214	0.4
151.14740	0.3
155.14238	0.3
187.48936	0.3
219.21069	0.4
221.22476	0.3
233.22562	0.8
242.24710	0.8
245.22437	0.7
251.23587	0.7
262.25320	2.6
263.23611	1.5
269.24615	0.3
280.26300	8.7
281.26556	0.4
298.27368	47.7
299.27667	2.5
325.22482	0.3
374.46320	0.3
378.26270	0.4
396.12253	2.0
396.16931	0.7
396.24893	12.2
397.24854	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	395.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07373	0.4
57.07069	0.6
67.05511	0.6
71.08630	0.5
71.78852	0.6
74.09705	100.0
75.10059	0.7
80.73808	0.4
94.06552	0.6
95.08593	0.6
119.54121	0.4
131.57475	0.4
145.02846	1.1
147.04378	0.8
177.05449	1.5
203.03371	0.6
224.09076	2.2
278.08173	1.1
305.26077	0.4
306.07675	1.5
307.08603	0.7
322.10681	11.6
323.11026	0.9
344.23965	0.5
378.22830	1.1
395.17047	0.6
395.25275	0.5
395.34607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05005	4.1
53.00293	3.8
55.05491	15.3
57.03418	6.9
57.06829	5.4
57.07068	70.2
59.04982	4.8
60.04502	5.8
65.03915	4.3
67.05498	41.3
69.03410	7.3
69.07051	33.1
69.95540	4.3
71.04991	35.0
71.08626	100.0
71.79367	7.1
73.06541	5.6
79.05470	28.3
81.03371	6.9
81.07042	85.3
82.31837	3.9
83.04970	5.2
83.08591	13.2
85.10170	52.4
86.58195	4.1
91.05466	51.3
93.07027	47.4
95.04950	20.7
95.08598	90.3
97.06513	5.1
97.10128	5.7
99.08073	5.7
104.02990	5.2
105.03344	8.8
105.07011	56.7
105.50787	4.3
107.04929	10.9
107.08595	27.2
109.06497	32.9
109.10123	14.1
117.07009	55.9
119.04281	3.7
119.04961	43.4
119.08548	32.6
121.05682	6.5
121.06493	58.7
121.10121	13.2
123.08069	8.4
123.11682	11.4
129.06966	11.6
131.04927	7.1
131.08513	23.9
133.06522	8.6
133.10112	31.9
135.08067	22.3
135.11688	7.4
137.05983	23.7
137.09612	6.1
137.13254	11.4
141.06940	4.6
143.08496	9.3
145.06459	11.2
145.10135	24.7
147.04362	12.0
147.08012	6.8
147.11662	13.2
149.05954	8.2
151.11154	54.7
152.11484	5.1
155.14264	48.2
157.10088	10.1
159.08031	6.2
159.11679	34.4
161.09613	10.0
161.13271	7.3
163.07536	13.7
163.11086	7.1
169.10095	7.2
171.11702	5.2
175.07582	4.8
177.09099	5.7
177.12730	25.3
187.11185	9.8
189.09131	5.2
189.12645	7.3
191.10542	5.5
205.12216	26.5
215.17867	7.2
235.20547	6.1
243.21106	6.9
247.20497	11.3
261.22067	19.2
271.20517	13.3
272.21039	4.5
273.18457	12.4
285.25632	5.6
289.21558	18.9
303.26733	6.7
309.20557	80.9
313.25275	9.3
321.27795	5.8
331.26208	20.4
336.13977	5.9
341.24747	16.7
349.27234	5.7
350.14331	6.0
351.15210	7.7
359.25861	36.5
364.13693	4.6
377.26599	22.4
379.14398	16.6
385.89798	5.2
395.17575	50.1
395.28323	5.2
396.17871	7.5
396.28995	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	395.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02358	0.4
69.70251	1.7
73.36160	0.2
79.70539	0.3
89.03903	8.7
90.04240	0.3
91.05449	0.6
103.05464	0.7
105.07041	0.3
106.04128	0.5
108.48473	0.2
117.03358	26.1
118.03692	0.8
122.36065	0.2
134.03601	2.2
135.04379	2.1
137.05978	0.8
141.06970	0.5
145.02821	56.3
146.03157	1.5
147.04381	0.4
149.05954	9.3
150.06335	0.4
150.13145	0.3
151.07446	0.4
158.06020	0.7
158.07249	0.9
162.03111	0.3
163.03879	0.7
170.07097	0.3
177.05437	100.0
178.05783	3.4
186.05348	2.2
186.06889	1.2
187.07556	0.4
201.09073	6.7
202.09474	0.3
219.10129	0.3
296.79752	0.4
339.34735	0.2
341.82129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.2
57.07053	6.1
61.02920	7.7
61.26103	5.7
67.05479	15.0
67.12464	5.5
69.03397	9.5
69.07050	11.7
71.79029	9.6
72.08135	10.6
78.57780	6.3
79.05479	10.7
81.03411	7.5
81.07027	22.3
83.08597	9.1
84.08128	7.5
85.02882	19.7
91.03918	7.1
91.05474	8.0
93.07006	17.5
95.04986	6.2
95.08594	28.0
97.02872	10.9
97.06521	8.9
99.04443	7.0
100.11222	7.3
105.06973	11.0
107.08587	12.0
109.10126	31.6
110.10513	6.8
119.08499	7.9
121.10117	7.8
122.06007	8.3
123.04439	7.6
127.11142	23.4
133.10112	7.0
137.09569	17.3
138.09938	13.2
145.02736	7.0
147.04388	9.4
161.09673	6.3
165.09059	6.3
166.09453	15.0
169.12376	6.0
177.05446	20.0
191.07018	7.8
202.11481	7.9
215.03296	7.5
216.13097	8.9
233.11652	24.1
233.15285	8.9
233.17485	8.2
243.02855	40.1
395.11127	100.0
395.24878	7.3
395.29785	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	394.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38419	0.6
55.01863	4.1
55.05494	1.7
57.03423	27.6
57.07066	0.8
59.04969	0.9
61.29490	0.6
64.94466	0.5
67.05489	8.8
69.03403	2.2
69.07048	1.9
71.00791	1.3
71.04964	1.9
73.02870	1.0
73.06519	0.6
75.04446	1.0
79.05480	4.0
81.03395	0.7
81.06680	0.6
81.07038	12.6
82.95152	0.5
83.04958	2.7
83.08585	1.8
85.02895	4.9
85.06536	3.3
85.06961	0.5
85.49325	0.7
91.05447	3.1
93.07010	2.7
95.04949	1.1
95.08585	7.0
97.02859	1.5
97.06525	4.0
97.10137	1.5
99.08080	1.1
105.03371	1.1
105.07018	4.0
107.08567	8.1
109.06487	1.9
109.10130	5.6
111.08016	1.8
119.08574	4.3
121.10110	3.0
123.08014	1.1
123.11690	7.3
125.09607	11.7
133.10083	2.7
135.11646	0.9
141.12711	0.9
146.98535	0.6
149.13225	0.9
151.11113	0.9
154.57591	0.6
161.13226	9.5
167.14235	1.6
179.14279	11.4
185.15337	4.0
197.15334	100.0
198.15627	3.6
199.97298	0.6
210.54771	0.6
215.16383	35.5
216.16750	1.3
243.02827	0.8
297.86264	0.6
394.34622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01857	2.8
55.05495	1.6
60.04542	1.1
67.05486	1.1
69.03407	1.2
71.27421	1.1
71.27759	2.4
72.08144	6.9
78.77378	1.2
79.05480	2.3
81.03369	1.2
81.07040	12.3
84.04482	1.5
85.02876	3.3
86.09647	1.4
86.66096	1.0
86.73283	0.9
91.05464	1.7
93.06992	1.6
95.04922	1.7
97.02871	1.4
103.03916	1.2
105.06995	2.4
107.04925	2.3
107.08587	1.2
109.02906	1.1
109.06509	6.8
109.10092	2.1
111.04414	1.5
119.08538	3.3
120.08081	3.4
121.02850	6.6
123.04337	1.0
125.05955	6.4
127.03890	3.3
133.10109	2.1
137.05954	100.0
137.09544	2.7
138.04292	0.9
138.05391	1.4
147.27272	1.1
150.05457	2.2
151.11142	1.7
161.09579	6.7
166.08604	1.2
179.10638	44.7
195.10155	2.9
196.10506	2.2
197.11711	80.2
199.93176	1.1
201.12317	1.7
229.11760	2.8
235.81516	1.1
256.09692	1.4
378.65375	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.5
62.35314	1.0
69.03403	5.0
70.99918	2.6
73.47126	1.0
79.05477	4.0
81.03393	1.6
84.04502	2.0
84.08132	9.9
85.02886	14.9
86.09659	1.3
91.05466	12.6
97.02880	4.2
98.75687	0.9
101.32115	0.8
107.04920	7.3
109.02911	1.4
119.04921	38.7
119.61832	1.1
120.05331	1.1
121.06493	3.4
127.03899	4.8
131.04951	1.3
131.72191	0.9
135.04391	13.0
137.05949	35.8
138.06285	1.7
145.04945	4.4
147.04385	75.5
148.04776	1.6
149.05934	6.9
151.07510	7.8
162.04227	1.2
163.03885	2.0
163.07565	1.7
167.07024	21.5
169.13354	1.0
177.05392	1.9
179.07004	100.0
180.07329	2.9
191.06975	1.4
197.08109	4.2
227.59625	1.0
259.09927	0.9
275.09000	1.9
284.13483	0.9
293.09900	1.1
311.11176	7.4
323.11328	1.6
330.20193	3.5
394.19983	2.6
412.83945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52443	0.5
53.03937	1.5
55.01855	0.7
55.05500	0.9
61.02905	0.9
62.06330	0.5
63.96943	0.6
69.03418	4.7
69.19416	0.5
69.97128	4.3
70.06584	6.7
71.04984	1.4
72.08149	1.7
73.02919	0.9
79.05450	0.9
81.03401	5.1
81.07039	0.7
83.04953	0.8
85.02890	23.2
86.09692	1.4
87.04456	0.5
88.07614	100.0
89.07938	1.4
93.07034	0.8
97.02877	7.4
98.21407	1.2
99.04441	10.8
103.03925	24.0
109.02852	5.8
109.06490	0.7
109.10135	1.3
120.08065	0.7
121.02842	1.3
125.09548	0.8
127.03893	30.9
128.04224	0.7
133.10066	0.8
136.07497	0.7
137.05949	9.1
137.09612	0.9
143.00191	0.7
145.04936	17.9
163.03944	0.8
163.05983	9.3
171.10165	1.6
179.10605	5.6
187.05957	3.1
195.10150	0.7
196.05902	0.6
196.47426	0.6
197.11703	10.5
197.13342	1.1
205.07069	2.4
215.12680	0.8
271.08041	2.9
289.09229	1.4
307.09998	0.8
323.05603	1.2
373.06921	1.1
376.16064	0.8
394.17145	2.4
395.07446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84935	0.4
55.05490	1.4
57.07061	4.5
57.86093	0.4
60.51724	0.5
67.05490	2.5
69.07053	2.1
70.97762	1.3
71.08620	3.0
77.00574	0.3
78.88940	0.4
79.05466	1.1
79.35074	0.4
81.03415	0.9
81.07043	2.7
81.24833	0.4
83.08563	0.7
85.10172	0.9
89.06003	1.2
91.05458	0.8
93.07028	0.8
95.04932	2.9
95.08575	2.2
98.20779	0.5
107.08559	0.6
109.02866	2.3
109.06505	0.6
109.10137	0.7
111.61356	0.5
114.94878	0.5
118.72767	0.4
119.08532	0.5
123.04418	2.2
123.11648	0.5
125.05931	0.8
133.10138	0.9
135.11655	0.6
149.02362	0.5
150.02614	0.7
195.12245	1.0
207.17346	2.1
224.20143	0.8
235.16882	1.8
249.18495	2.4
361.30923	100.0
362.31296	5.7
376.26068	0.6
379.66461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90499	0.6
53.03941	4.0
55.01864	9.6
55.05493	2.6
57.03429	5.1
57.07066	18.3
67.05473	2.0
69.07057	4.5
71.08624	17.8
71.28297	1.9
78.83282	0.6
81.03401	11.9
81.07048	1.8
82.96859	0.7
83.08615	4.0
85.10178	8.2
89.06013	1.3
95.08611	3.3
97.10166	2.5
99.04412	1.5
99.11719	1.3
105.07024	0.8
109.02853	14.7
109.10110	1.1
111.31386	0.6
115.03905	6.7
119.08540	0.9
123.04407	2.1
127.03893	100.0
128.04225	1.7
141.05429	4.0
145.04890	1.1
146.91273	0.6
148.94263	0.7
155.07007	2.5
168.06555	0.9
169.08559	4.6
183.10143	8.1
195.12312	1.7
197.11693	6.9
211.13295	6.3
225.14767	5.0
239.16417	7.3
253.18002	8.2
260.71277	0.7
267.19507	8.0
281.21118	6.4
295.22522	5.4
309.24185	4.7
323.25699	5.5
337.27264	5.9
351.28912	0.7
376.26382	1.0
393.33585	31.2
394.34109	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34111	2.2
51.02380	2.2
53.03934	8.1
55.01859	3.2
55.05496	17.2
57.03421	2.8
57.07060	16.7
59.04994	3.1
65.03930	4.6
67.05495	34.8
69.03440	4.2
69.07050	23.0
70.65107	5.9
71.08614	6.3
79.05478	45.7
81.07039	66.4
83.04973	6.9
83.08614	8.7
85.06522	5.8
85.10171	2.5
91.05454	52.2
93.07030	88.5
94.04113	2.5
95.04945	57.2
95.05496	4.0
95.08589	59.6
96.36115	2.2
97.06508	9.9
98.05995	2.1
98.98453	12.5
103.05437	2.8
105.04487	2.5
105.07014	100.0
107.08575	63.5
109.06499	16.4
109.10137	33.7
115.05432	6.0
117.06999	22.0
119.04898	2.7
119.08566	99.5
121.06488	24.6
121.10120	48.0
123.08073	9.0
123.11706	12.4
128.06216	14.1
129.06999	19.5
130.07761	9.1
131.08543	48.9
133.06549	2.7
133.10107	56.1
134.10332	2.2
135.08047	5.7
135.11653	23.2
137.09625	3.1
141.06973	9.3
142.07756	21.0
143.08548	37.9
144.09309	10.5
145.06485	4.1
145.10095	71.8
146.07236	5.4
147.08009	7.4
147.11682	27.4
149.09644	3.5
149.13249	4.8
153.06882	3.6
154.07645	2.8
155.01003	22.2
155.08540	13.1
156.09288	12.1
157.10101	60.6
158.10840	8.9
159.08096	4.7
159.11658	47.7
160.12276	3.7
161.09584	20.8
161.13245	9.4
163.11136	4.6
165.06990	4.6
167.08551	6.3
168.09254	4.0
169.10107	23.7
170.10881	7.6
171.11644	25.7
172.12398	2.9
173.09575	3.4
173.13228	22.0
175.11137	13.1
175.14752	16.6
179.08553	6.8
180.09322	2.8
181.10103	9.2
182.10829	5.7
183.11662	17.3
185.13268	12.7
187.11145	9.2
187.14772	15.4
189.16306	2.4
193.10109	8.3
194.10867	6.7
195.11621	13.5
196.12488	5.5
197.13225	21.0
199.11081	4.6
199.14836	8.8
201.12686	3.3
201.16382	10.3
205.10191	2.6
207.11636	7.0
208.12364	2.9
209.13188	14.8
210.14026	4.8
211.11143	2.5
211.14804	10.7
213.16496	3.0
215.14282	3.7
219.17366	2.7
221.13232	5.5
223.14792	9.4
225.16278	3.6
235.14801	5.5
237.16374	4.9
239.14285	3.5
239.23502	3.1
241.15746	4.0
253.15887	6.7
253.19531	6.2
265.19437	3.3
269.31726	3.1
271.20490	2.9
277.19525	2.5
281.19031	3.3
375.26785	5.4
393.27621	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	393.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.8
57.03420	4.5
57.07064	32.7
60.05803	0.6
67.05492	11.3
69.07061	8.0
71.04958	0.8
71.08617	24.8
71.82149	1.0
72.08921	0.6
74.29900	0.6
79.05473	2.1
81.07042	17.6
82.07374	0.8
83.05410	0.6
83.08602	10.3
85.06509	0.9
85.10166	13.8
89.06008	1.2
90.98166	0.6
91.05444	2.4
93.07030	4.6
95.04940	2.3
95.08587	24.3
97.06509	0.6
97.10140	5.5
98.98445	52.6
99.08081	0.7
99.11701	1.7
105.07035	3.3
107.08566	2.8
108.10665	0.7
109.06493	0.9
109.10138	12.2
111.11693	1.5
116.99486	1.6
117.07005	0.9
119.08568	2.9
121.10115	1.7
123.11678	5.9
125.13279	1.4
128.06155	0.7
129.06941	0.8
131.08533	2.1
133.10114	2.1
135.04138	4.8
135.07997	1.0
135.11635	1.1
137.13185	2.9
140.01053	1.3
142.07782	1.1
145.10085	2.5
147.11604	1.1
151.14778	1.3
155.01009	100.0
155.14279	0.9
156.01422	0.7
157.10126	1.9
159.11674	1.7
161.09598	1.5
165.16362	0.8
171.11685	1.1
173.01994	0.7
175.11252	1.1
185.09601	0.7
190.21054	0.6
195.12210	1.9
196.03664	0.9
199.14821	0.7
221.22649	0.9
239.23672	12.7
261.18259	6.6
271.63782	0.5
277.19058	0.7
319.22397	0.9
361.27484	0.7
376.25562	0.9
377.32773	1.0
393.24133	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.0
57.03426	4.5
57.07067	35.6
58.07389	0.5
67.05496	13.3
69.03414	0.5
69.07056	10.1
70.94792	1.8
71.04979	0.5
71.08623	25.6
79.05484	4.4
81.07043	19.7
83.08148	0.9
83.08606	10.3
85.06532	1.1
85.10170	13.2
89.06008	1.1
91.05470	5.8
93.07033	9.6
95.04948	6.3
95.08594	25.8
97.06519	1.5
97.10160	5.7
98.98450	54.3
99.08135	0.5
99.11722	1.2
105.07010	9.8
107.04979	0.6
107.08574	6.8
109.06519	2.1
109.10139	13.1
111.08028	0.5
111.11699	1.8
115.05392	0.8
116.73618	0.5
116.99485	2.0
117.06991	2.4
119.08575	10.4
121.06474	2.1
121.10146	4.0
123.08015	0.7
123.11697	5.8
124.99917	0.6
125.13250	0.8
128.06206	1.0
129.06963	1.1
130.07799	0.7
131.08542	4.8
133.10118	6.5
135.08020	1.2
135.11636	2.9
137.13272	2.3
140.01059	0.9
142.07751	2.2
142.19354	0.5
143.08513	2.9
144.09253	0.7
145.10104	7.5
146.10545	0.5
147.11682	3.3
149.09561	1.0
151.14763	1.0
155.01018	100.0
155.08481	1.2
156.01312	1.0
156.09305	1.3
157.10074	6.0
158.10841	0.6
159.08028	0.6
159.11646	4.9
161.09599	2.5
161.13257	0.7
163.11197	1.1
165.16370	0.7
169.10127	1.7
170.10756	0.5
171.11658	3.3
173.13283	2.2
175.11090	0.9
175.14807	2.7
179.08583	0.7
181.10141	1.2
183.11713	1.9
185.13254	1.7
187.11208	1.1
187.14774	0.9
194.10954	0.6
195.11903	1.5
196.03658	1.4
197.13231	1.8
199.11142	0.8
201.12811	0.6
201.16418	1.6
209.13219	2.1
210.14030	0.6
211.14865	0.6
219.17545	0.6
221.22536	0.8
223.14734	0.9
225.16301	1.1
239.23674	9.4
246.81458	0.5
253.15929	0.7
273.18390	0.6
361.27213	1.3
376.25861	0.7
377.32819	0.6
393.23837	1.6
393.27783	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92178	16.2
70.92575	17.9
195.82846	8.8
251.88470	8.3
344.23752	9.5
393.05820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.6
55.05519	0.7
59.34840	0.5
67.05473	0.8
68.05006	1.7
69.03397	1.2
70.06569	1.0
71.81750	0.6
72.08138	3.2
79.05478	0.6
80.67108	0.6
81.03403	0.6
81.07030	1.3
83.04944	1.8
84.08121	2.2
85.02876	2.0
85.06544	0.8
86.09682	1.5
91.05444	1.1
93.06998	1.3
95.04929	1.2
95.08583	0.6
97.02878	0.7
97.06493	0.6
99.04426	0.7
106.04977	0.7
107.04976	0.9
107.08540	1.2
109.02814	1.1
109.10114	0.6
111.04404	1.6
120.08076	1.1
121.02819	1.1
121.06442	2.1
123.04424	0.8
123.07988	0.6
127.03883	1.2
129.05438	0.9
129.10202	1.1
135.08009	2.1
137.05930	2.7
139.03876	1.5
140.03409	0.9
145.04959	0.6
147.04404	1.0
149.02350	0.8
149.04556	0.9
150.02592	0.5
151.03857	1.2
157.04994	0.7
163.03891	1.0
163.07483	0.8
166.08748	0.6
172.06026	1.2
173.01688	1.2
173.13187	0.7
186.10388	0.9
187.11044	1.2
197.11649	1.1
201.06419	1.6
201.12730	1.1
202.07130	1.6
203.07982	1.1
204.08763	7.1
214.07127	1.0
215.08020	1.9
216.08763	100.0
217.09441	3.4
218.10312	6.2
225.06387	10.8
226.07185	3.3
227.07893	1.0
228.08623	0.7
229.09674	1.1
229.12206	2.1
230.10291	10.1
231.11133	1.1
240.08751	57.0
241.09386	3.1
242.10400	0.6
246.09843	8.5
258.09860	3.2
268.08176	5.2
272.11288	4.2
274.01007	0.5
283.09299	2.3
300.10852	58.1
301.11081	1.6
311.08713	0.8
333.13049	4.2
343.11383	2.5
361.12494	6.4
365.09802	1.1
375.14185	7.8
375.22763	2.6
393.09378	4.2
393.15045	39.9
393.23148	6.8
394.15262	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
55.05499	1.4
57.03424	1.4
57.73534	0.8
57.87079	0.8
61.02908	1.9
64.78207	0.8
65.03928	1.1
67.05508	1.3
69.03417	3.7
70.16874	3.7
71.04969	1.9
73.02905	1.5
79.05480	13.3
81.03384	2.0
81.07039	2.6
83.01310	1.5
83.04961	1.2
85.02887	11.4
91.05474	9.2
93.07034	3.5
95.04942	1.6
97.02866	3.0
97.06531	1.4
98.20694	1.0
99.04430	3.2
104.89174	0.8
105.07003	7.1
106.13855	0.9
107.04948	2.9
107.08579	66.0
108.08900	1.3
109.06499	3.0
109.10130	2.1
111.08067	1.2
115.03915	1.3
115.05408	3.3
117.07007	7.3
125.05984	0.8
127.03863	1.9
130.21800	0.8
135.08035	82.4
135.11664	8.6
136.08401	2.4
139.11140	1.4
145.04872	1.7
149.02324	3.7
150.02640	2.3
153.01775	2.0
153.09161	1.5
163.07521	100.0
164.07886	1.3
180.08693	1.6
181.08574	41.5
182.08972	1.7
195.10135	4.7
199.09793	1.2
211.16875	1.3
212.17227	1.2
213.11189	65.5
214.11537	1.9
221.09421	0.9
229.17937	1.3
230.11737	1.2
230.18315	3.2
243.02905	1.2
244.10982	0.9
266.86322	0.9
351.04807	1.5
363.23505	1.0
393.06000	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	392.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90619	1.0
53.03926	2.7
55.01841	2.7
55.05487	2.3
56.64046	1.2
57.03405	1.5
57.07064	7.4
61.02898	3.8
62.06091	1.2
65.74625	1.4
67.05490	4.2
69.03421	5.9
69.07056	9.3
69.70908	5.8
69.71352	5.2
71.04986	2.6
71.08635	2.5
73.02927	1.8
79.05482	26.2
81.03389	4.3
81.07035	10.1
83.04955	5.8
83.08591	1.7
85.02888	31.5
85.06528	32.8
86.06034	2.0
86.09692	22.9
88.89972	1.3
91.03909	1.9
91.05439	6.7
93.07029	28.1
95.04958	3.8
95.08586	5.3
97.02860	7.4
97.06510	20.1
98.21460	1.4
99.04416	3.0
103.03931	2.2
105.03357	6.7
105.06997	13.6
107.04945	2.4
107.08577	15.8
109.02855	3.6
109.06431	1.5
111.08022	2.2
117.07012	2.6
119.08591	3.6
120.08076	33.6
121.02867	1.7
121.06441	2.9
121.10122	16.9
125.05967	14.5
127.03829	6.2
131.08551	4.4
133.10101	7.2
135.07990	3.0
135.11664	70.3
136.11967	3.0
139.07501	9.1
142.07689	1.7
143.08549	2.2
145.04903	8.0
149.02310	9.5
149.13239	14.6
150.02634	5.2
153.09062	2.1
153.12704	4.0
157.10057	2.1
159.08038	2.8
159.11613	7.0
167.14293	3.6
168.10185	2.4
175.07831	4.5
177.12724	21.5
185.09573	1.5
187.07663	1.4
194.15384	4.1
195.13773	100.0
196.14055	2.0
213.09058	3.2
213.14818	14.6
217.13280	1.7
220.16895	4.7
230.17477	1.6
231.10091	1.5
233.16515	14.1
238.17967	16.5
245.18689	1.3
249.80385	1.4
261.15891	6.1
263.14139	9.3
293.13251	2.1
305.82379	1.3
311.13498	1.3
318.14542	2.5
332.94833	1.4
347.17783	2.1
375.19336	4.5
392.12177	2.8
392.18402	5.4
393.18604	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	392.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00402	0.6
69.00747	0.6
69.03402	2.5
70.85534	1.3
70.85909	1.4
79.05466	2.6
80.14764	0.6
81.03390	1.3
82.26237	0.6
85.02896	6.1
91.05457	1.8
95.04952	1.5
97.02875	0.9
99.04462	0.6
103.05460	2.1
105.03369	2.2
105.07024	3.4
107.04939	31.0
107.08569	1.5
108.05212	1.1
115.05423	1.1
117.07000	1.4
120.05672	0.7
125.05916	0.8
129.05435	0.9
131.06783	0.6
135.08040	10.0
145.04980	0.7
145.06444	0.9
147.08043	0.8
149.02304	1.2
151.07521	0.7
154.06227	3.5
159.08018	1.1
163.07526	17.9
167.07014	17.5
175.07553	1.4
180.07684	3.6
187.07495	1.3
195.10135	100.0
196.10463	3.7
207.10081	2.2
209.11674	1.2
213.11182	36.3
214.11649	0.7
219.10059	1.5
223.09688	3.4
231.10068	0.8
237.11203	2.5
241.42513	0.7
261.11191	1.4
275.12662	0.9
303.12051	0.9
321.13373	1.1
394.90631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.8
55.01852	0.9
61.02904	1.1
68.17809	0.6
69.03403	1.8
69.07045	1.1
70.06564	1.2
71.77824	0.7
71.78279	1.0
79.05479	2.9
81.03394	1.5
82.00336	0.5
85.02899	6.7
91.05447	1.9
95.04949	2.2
97.02880	2.6
99.04423	0.8
100.07613	1.0
103.05457	2.4
105.03325	1.0
105.06421	0.7
105.07001	3.7
107.04939	30.6
107.08538	1.1
109.02860	0.8
109.06490	0.8
111.04453	0.6
115.05432	1.8
117.06984	1.2
120.05721	0.7
120.08084	1.2
121.10135	0.6
123.04428	0.9
127.03912	1.5
131.04953	0.7
135.04376	1.6
135.08026	9.6
137.05977	0.7
145.04933	1.2
147.04414	1.0
149.02332	2.1
151.07582	0.7
154.06207	3.3
163.03844	1.0
163.07512	19.4
165.05447	1.1
167.07010	17.3
175.07520	1.2
177.09074	0.8
180.07800	2.4
181.03166	2.3
187.07568	0.7
195.10141	100.0
196.10503	2.6
199.04207	2.7
207.10086	2.0
213.11179	36.2
216.08792	0.9
223.09579	1.7
237.11186	0.8
271.06268	1.5
321.13260	0.9
381.26212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.05492	7.8
57.07061	21.3
63.13907	1.9
63.83194	2.0
64.65356	2.2
65.03898	2.1
67.05495	17.6
69.07060	10.5
70.06592	3.2
71.04964	3.3
71.08611	25.6
71.81105	4.6
74.76912	2.2
79.05480	17.7
81.07038	32.2
83.04959	4.5
83.08591	4.1
85.06532	4.5
85.10162	6.7
91.05461	21.9
93.07026	22.0
95.04945	32.0
95.08590	21.9
97.06528	5.2
103.05434	4.2
105.07010	41.5
107.08570	18.1
109.06486	10.6
109.10131	7.0
115.05456	3.2
117.06985	10.8
119.08561	37.8
121.02856	3.2
121.06488	8.6
121.10093	18.6
123.08038	3.6
123.11668	2.9
128.06209	7.5
129.06984	8.3
130.07733	4.3
131.08531	22.0
131.09293	2.1
133.06502	2.0
133.10114	12.3
135.08064	2.5
135.11652	3.1
137.13280	2.1
141.06984	5.6
142.07793	10.3
143.08542	21.7
144.09341	4.6
145.10091	32.1
147.08073	3.8
147.11696	6.2
149.02306	100.0
149.09648	3.0
151.11206	2.1
155.08562	8.7
155.14281	6.0
156.09300	5.7
157.10100	21.0
158.10873	3.0
159.08029	8.8
159.11678	12.3
161.09534	4.6
165.07047	2.4
166.07724	3.3
167.03403	12.3
167.08563	8.2
168.09338	5.5
169.10091	17.8
170.10861	2.5
171.08032	2.3
171.11598	11.5
173.09636	6.4
173.13232	13.6
175.11195	5.4
179.08572	6.2
180.09351	4.8
181.10065	9.4
182.10918	4.0
183.11674	14.6
184.12439	2.3
185.09570	3.6
185.13223	4.5
187.07529	3.7
187.11249	4.2
189.09087	2.9
191.14310	5.9
192.09154	3.9
193.10150	9.1
194.10893	7.0
195.11642	12.6
196.12439	3.1
197.09468	2.2
197.13280	14.1
199.11203	4.5
199.14740	3.5
201.08931	2.6
201.12744	3.1
205.10127	3.6
206.10831	7.7
207.11676	13.5
208.12318	3.5
209.09616	2.2
209.13220	12.7
211.14836	6.2
219.11691	5.8
220.12379	2.8
221.13274	8.4
223.14842	7.4
225.16460	4.5
227.14378	2.7
231.11707	3.8
233.13206	6.2
233.15388	4.8
234.14032	2.7
235.14809	8.6
237.16249	4.7
237.18416	28.0
245.13272	4.0
246.14014	4.5
247.14923	4.4
248.15605	5.2
249.16319	9.6
251.14400	2.7
251.17960	3.6
257.13239	2.5
260.15472	3.2
261.16376	3.0
263.18030	5.8
265.19550	2.1
273.16473	4.9
275.17963	6.0
281.18991	4.1
282.19827	5.3
289.19440	2.8
293.19107	3.4
297.18573	3.5
299.17291	2.2
317.19156	2.2
329.32437	4.6
335.20248	3.8
347.18564	3.6
373.24786	12.9
391.15277	5.4
391.26227	73.8
391.30173	3.8
391.35519	10.7
392.27014	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	391.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27613	1.8
55.05493	4.8
57.07066	45.9
61.02916	3.7
63.12836	1.9
67.05492	18.4
69.07055	11.5
71.08622	60.7
71.81871	3.3
76.63592	1.8
78.97678	1.7
79.05479	7.9
81.03427	2.6
81.07044	37.7
83.08621	3.3
85.02867	1.9
85.10168	28.9
91.05488	10.5
93.07030	7.3
95.04920	2.8
95.08586	37.2
97.02877	2.6
97.06567	2.1
102.87251	1.9
105.07026	6.6
107.08547	2.5
115.05444	2.1
116.06221	3.6
117.06986	1.9
119.08524	3.7
121.02802	2.1
121.10125	2.4
129.06978	10.1
131.08540	21.2
133.06465	2.0
137.13228	6.3
139.90855	2.0
141.06989	3.0
144.05690	6.5
145.06467	1.9
147.07979	2.1
149.02313	100.0
150.02646	2.9
155.01089	2.7
155.14279	24.6
159.08031	35.8
160.05122	1.9
167.03380	13.4
167.06993	3.9
169.07616	3.5
172.05133	2.6
172.33403	2.0
175.07491	2.8
176.08246	14.9
187.07509	46.2
188.07825	2.3
192.07707	3.6
201.09058	5.3
204.07869	5.4
205.08578	6.5
209.18930	2.6
215.07059	5.9
219.10117	14.4
222.08862	19.2
237.11186	80.6
237.18352	2.4
238.11575	3.0
241.07513	4.0
243.08687	2.6
267.08893	3.9
270.00027	2.3
285.10117	6.6
285.68628	2.0
308.11563	2.7
317.17816	3.1
335.25760	4.0
373.19550	2.6
373.23706	3.3
382.19955	4.0
382.70224	2.7
391.24966	8.5
391.29800	2.2
411.68118	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85874	1.7
51.38660	1.7
51.69095	1.8
55.05493	5.9
55.36765	1.5
55.75430	2.1
56.96540	2.1
57.07069	54.9
67.05498	20.8
69.03390	2.1
69.07063	10.9
70.48864	4.0
70.49268	3.3
71.08235	4.0
71.08620	77.9
73.02900	2.7
79.05473	7.7
81.03400	2.6
81.07047	43.3
83.08607	4.5
85.02881	3.0
85.10175	30.3
91.05470	11.8
93.07024	8.2
95.04945	5.3
95.08596	47.3
97.02873	2.6
97.06493	2.1
105.07020	8.0
107.08568	4.8
109.10152	4.7
115.05440	2.9
116.06192	5.2
116.34660	1.7
117.06990	3.1
119.08560	5.6
119.45903	1.9
121.06448	2.3
121.10113	4.2
127.03911	2.0
128.06213	2.8
129.06987	13.3
131.08548	28.2
133.10114	5.0
135.11684	3.5
137.13220	6.0
141.06963	6.1
142.07765	2.1
143.08569	4.3
144.05682	9.3
145.06436	3.8
145.10103	6.3
149.02324	83.7
155.14278	23.1
157.10143	4.1
159.08044	35.9
159.11581	2.1
161.06003	3.1
163.14696	2.1
167.03392	10.9
169.07616	4.5
172.05217	3.3
173.09587	3.0
173.13301	2.5
175.07495	4.8
176.08302	15.4
183.11662	2.6
187.07529	47.0
188.07887	2.8
190.06398	2.2
194.10909	2.1
201.09146	6.3
204.07799	7.5
205.08586	6.9
207.10010	2.4
215.07004	6.0
219.10132	14.3
222.08859	17.7
237.11182	100.0
237.18488	2.9
238.11560	2.9
259.08585	2.9
266.93945	2.2
267.09158	4.8
277.47864	1.8
285.10123	3.8
317.17920	2.0
341.20920	3.8
345.24298	2.3
373.24188	5.3
381.10037	1.8
391.25211	8.8
391.34067	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2106
Annotation	Pregomisin
Peak:m/z	Relative Intensity
53.03925	0.7
55.01862	0.5
55.05481	1.1
57.07059	1.8
63.86625	0.3
65.03912	0.5
67.05475	0.8
69.07032	1.1
71.08613	2.4
71.81020	0.5
75.20167	0.3
78.04700	2.3
79.05010	0.4
79.05470	7.5
81.03381	0.4
81.07029	1.5
81.07891	0.3
83.04952	0.4
83.08575	1.1
91.05453	2.7
93.03338	0.5
93.07017	1.6
94.04165	0.6
95.04947	2.8
95.08562	1.0
103.05447	2.5
105.03349	1.5
105.07004	3.4
106.04134	1.3
107.04929	28.5
108.05238	0.6
109.06470	0.9
111.04382	0.4
114.17202	0.3
115.05428	0.8
117.06988	3.4
119.08550	1.2
121.02835	1.2
121.06488	4.6
121.10115	0.5
122.03626	1.0
123.03593	0.6
123.04401	6.4
123.08009	0.6
124.05190	3.9
125.05989	2.6
128.06142	0.7
129.06960	0.7
130.07755	2.0
131.04878	3.4
131.08521	0.6
133.06467	0.6
133.10194	0.4
134.03598	0.5
135.04436	0.3
135.08003	2.4
136.05183	0.5
136.68752	0.3
137.05943	6.5
137.54021	0.3
139.07500	0.3
139.38048	0.3
140.04648	2.0
143.08522	1.3
144.05664	1.0
145.06459	4.7
145.10097	12.3
146.10442	0.5
147.07941	0.8
148.05138	1.0
148.07556	0.4
149.02309	13.8
149.05936	2.3
151.03850	1.2
151.07500	4.9
152.04652	2.5
153.05429	6.2
154.06165	0.4
155.07007	0.9
155.08501	0.9
158.07208	2.2
159.08038	0.4
159.11674	0.3
161.05948	0.8
161.09550	0.4
163.07520	4.0
163.11069	0.7
165.09041	0.7
166.06238	0.8
167.06996	100.0
168.07358	3.0
169.08228	0.4
171.07944	0.4
173.09579	14.5
175.11182	0.4
176.08318	0.9
177.12715	2.6
180.07777	0.5
181.08548	3.7
183.07924	0.5
185.78278	0.3
187.11063	0.4
189.09009	0.4
190.09955	0.4
191.10590	0.9
195.10138	2.0
197.06169	0.4
205.12193	38.9
206.12572	1.2
211.07545	0.4
219.09940	0.4
219.13829	0.7
221.11575	0.7
223.13232	1.4
225.08984	0.6
235.10970	0.4
237.12428	0.8
237.14809	12.7
241.12216	0.5
251.16429	0.4
257.07913	0.7
267.13776	0.5
269.11816	0.4
271.09595	0.5
295.13290	1.2
299.16351	4.7
309.14819	1.1
313.17899	1.9
327.15768	4.6
341.17435	1.3
359.18561	0.7
373.19809	0.9
391.21057	14.8
391.25595	0.6
392.21262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.01852	0.9
55.05489	1.5
57.03432	3.2
57.07066	3.9
61.02906	1.9
63.78014	0.6
63.98801	0.5
67.05481	1.7
69.03416	17.0
69.07043	1.2
71.04969	4.4
71.08617	4.8
71.81284	0.9
73.02869	0.8
79.05465	1.2
80.30052	0.6
81.03404	28.7
81.07030	1.8
81.88174	0.5
83.04961	1.1
85.02890	52.8
85.10152	1.0
91.05469	2.2
93.07047	1.4
95.04942	1.2
95.08572	0.7
97.02867	6.6
97.06513	1.1
99.03777	1.1
99.04437	27.8
103.03927	49.9
103.87595	0.6
104.04283	0.9
105.03366	2.3
105.05936	0.6
105.07019	1.8
107.04938	1.1
107.08575	1.9
109.02860	26.2
109.03618	1.4
109.10118	2.0
115.05399	0.6
117.06956	0.8
119.08563	1.1
120.08069	2.1
121.02840	3.1
121.06477	0.6
127.03893	100.0
128.04230	1.6
131.08611	0.5
133.06473	0.6
133.10129	0.9
135.08018	2.1
145.04926	12.5
145.10063	0.6
147.08020	0.8
149.02315	34.7
163.05988	2.5
163.07516	2.7
165.09087	0.7
167.03392	3.6
177.05510	0.9
183.10260	1.1
187.05974	7.4
206.61235	0.6
211.16864	1.5
213.11287	1.3
229.18015	2.0
253.04686	0.8
253.06989	3.5
253.13217	0.9
260.10620	0.6
271.08032	1.7
289.16519	0.6
306.11188	0.7
361.76810	0.6
364.15396	2.6
382.42361	0.6
391.12244	0.8
391.16736	1.3
392.14581	5.0
392.19250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2994
Annotation	NAGABA
Peak:m/z	Relative Intensity
55.01851	0.9
55.05492	1.1
56.88049	0.3
56.96555	0.4
57.07056	0.3
62.95204	0.3
67.05479	0.6
69.07055	3.5
69.98205	0.7
69.98619	1.2
70.06574	0.5
71.05022	0.3
71.08623	0.4
73.02915	2.3
73.06550	1.7
73.06906	0.4
73.67905	0.3
79.05478	0.7
81.07042	0.8
91.05455	0.8
91.45136	0.3
93.05777	1.5
93.07034	0.8
95.08566	0.6
97.06495	0.3
98.21426	0.4
105.07020	1.1
106.06568	0.6
107.07308	1.8
108.04470	0.8
109.10117	0.4
115.23811	0.3
118.06513	0.6
119.08567	1.0
120.08080	1.6
122.06025	0.5
122.09645	1.4
130.06563	0.6
131.08525	0.4
132.08087	1.3
134.05977	2.2
134.09648	0.9
135.06747	0.5
141.74754	0.3
145.10127	0.4
147.83549	0.3
148.07523	1.9
148.11237	0.3
149.02328	4.1
149.08368	0.4
150.09149	0.6
157.10170	0.4
162.09039	1.9
164.10669	3.3
167.03374	0.5
172.21814	0.3
176.10704	0.5
176.14279	0.4
184.07243	0.5
207.11726	0.4
215.80196	0.3
226.69072	0.3
232.20558	0.5
234.18584	1.9
234.22079	1.5
237.39578	0.3
248.40877	0.3
258.22098	0.4
262.14417	0.5
267.09143	0.4
276.23184	31.7
277.23605	1.0
280.15524	0.3
285.10120	0.7
302.24649	0.4
304.26340	0.5
328.32367	0.8
358.23813	0.4
390.29971	100.0
391.25171	1.5
391.30322	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	391.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	10.5
69.03419	1.9
69.07011	1.9
69.74962	1.7
70.06558	2.9
70.99606	2.6
70.99951	3.8
71.08620	12.0
72.08121	2.9
76.42643	1.5
80.09658	1.6
81.07047	2.1
83.04975	1.6
84.04452	2.2
85.02862	2.5
86.09671	2.3
91.05462	2.5
100.68737	1.7
107.04915	2.8
113.13242	1.7
121.02837	5.6
134.05928	4.1
137.02328	4.3
137.05867	2.1
149.02316	100.0
163.03905	1.9
163.10994	1.7
167.03403	12.2
173.09409	1.8
229.12543	2.1
256.06235	2.4
265.05908	4.7
325.96680	1.7
349.08017	2.0
371.56674	1.7
391.09790	62.4
392.10080	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	390.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74923	0.4
55.05482	1.4
57.07074	2.8
59.04993	1.1
59.90726	0.4
60.25029	0.4
64.86378	0.4
69.07054	5.4
69.51603	3.3
69.52010	1.3
70.06569	1.6
71.08609	2.1
73.06535	2.4
79.05462	0.6
79.97858	0.4
81.07032	1.6
84.13477	0.4
85.02864	0.4
85.10164	0.5
87.04444	0.9
91.05460	0.8
93.05779	1.8
93.07011	1.1
94.06609	0.8
95.04955	0.5
95.08565	0.9
100.83469	0.4
105.07028	1.1
106.06548	1.3
107.07337	2.3
107.08620	0.4
108.04453	1.4
109.10078	0.6
117.05727	0.6
120.08096	1.8
122.05991	0.7
122.09634	2.7
130.06493	0.9
131.07278	0.9
132.08067	1.7
132.10226	0.6
134.05994	3.1
134.09587	0.6
135.06758	0.6
146.09575	0.5
146.11636	0.6
148.07516	3.3
149.02322	7.9
150.09155	0.7
160.11182	0.8
162.09125	2.8
162.12614	0.5
162.94658	0.5
164.10704	4.0
176.10704	0.5
232.20453	0.5
234.18488	1.9
234.22069	2.5
237.87338	0.5
248.20065	0.6
258.22159	1.7
276.23178	58.0
277.23538	3.7
284.29459	1.1
304.26245	0.7
328.32013	3.3
341.70651	0.5
346.30957	0.8
390.29959	100.0
390.35242	8.3
391.24860	1.2
391.30170	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82053	0.8
53.03936	2.5
55.01857	1.4
55.05505	4.0
57.03404	1.7
57.07059	1.8
59.04984	1.0
61.02913	3.3
62.22464	0.9
65.03939	0.8
67.05481	4.7
69.03407	4.9
69.07053	14.6
70.26869	4.0
71.08605	1.1
73.02892	0.9
77.03880	1.1
79.05479	6.8
81.03404	2.3
81.07038	10.9
83.04949	1.0
83.08607	5.9
85.02889	20.2
85.03375	1.2
91.03949	1.9
91.05459	5.2
93.07022	14.6
95.04933	4.4
95.07986	1.4
95.08586	21.6
96.08941	1.8
97.02866	6.1
97.06472	0.9
98.20689	1.0
99.04459	1.2
99.08103	0.9
105.03374	67.9
105.07008	15.1
106.07367	1.0
107.04936	12.2
107.08569	18.6
109.02841	1.6
109.10122	8.8
110.10462	1.1
111.04430	1.4
119.08565	18.1
121.02864	5.2
121.06527	0.9
121.10117	21.2
121.10942	1.3
123.11674	1.8
127.03883	4.7
131.08524	1.2
133.10107	10.3
135.04404	7.0
135.11688	6.5
136.05186	3.2
137.02321	2.5
145.04932	6.1
147.11676	4.6
149.02312	11.0
149.03397	1.2
149.13211	8.2
151.03995	1.0
154.04990	1.2
163.05933	1.5
164.03413	1.5
167.03409	1.0
175.14796	100.0
176.15182	5.1
177.16356	92.4
178.16704	6.7
179.06941	1.0
193.15869	5.2
199.07504	2.1
203.17926	0.9
204.18361	1.4
224.07011	1.3
232.17799	0.9
238.08505	4.9
239.09378	27.2
240.10242	5.9
252.06575	3.3
253.04944	6.4
270.07571	14.8
295.76584	1.0
374.10242	1.3
391.12598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35442	0.5
55.05495	2.4
56.05022	0.8
57.06784	0.7
57.07064	11.7
67.05497	3.8
68.05022	3.0
69.07043	2.1
70.02932	1.4
71.08616	7.2
71.81396	0.7
72.04504	0.5
73.41344	0.5
79.05462	1.9
80.05007	0.9
81.07045	3.9
82.06554	3.0
83.08585	1.7
84.04482	0.8
84.27843	0.4
85.02817	0.7
85.10175	3.8
91.05476	2.7
93.07025	1.9
94.51240	0.5
95.04958	7.1
95.08578	5.3
96.04461	1.8
97.10162	0.7
98.06046	0.8
103.05418	1.6
107.04934	9.6
107.08585	0.9
109.06485	0.6
109.10142	2.2
117.06993	1.4
118.43131	0.5
119.04921	10.3
119.08601	0.6
120.05260	0.6
121.06470	5.0
121.10146	0.6
122.06015	0.7
123.04414	16.9
132.08041	0.6
133.06511	0.9
135.11642	0.6
136.07565	1.6
145.06464	3.5
146.05983	0.7
147.04387	5.5
149.02339	5.3
159.07982	0.6
160.07524	3.8
162.09125	10.2
165.05444	4.3
183.17470	0.8
208.09628	4.9
222.22028	0.6
224.20102	1.9
225.48822	0.5
226.21623	13.0
236.20049	1.1
238.21570	1.0
256.26163	0.6
301.09344	0.6
326.24692	1.4
344.25827	15.0
345.26208	1.1
390.26318	100.0
391.26572	7.7
406.18640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2016
Annotation	Cilazaprilat
Peak:m/z	Relative Intensity
53.89964	0.6
55.01860	0.6
55.05500	1.0
57.07067	5.9
61.68859	0.5
64.12454	0.5
67.05502	3.1
68.05017	2.8
69.04552	3.7
69.07040	2.0
70.02934	3.9
70.38377	2.4
71.08616	8.3
79.05437	0.8
81.03423	0.6
81.04525	22.3
81.07034	4.5
82.05309	1.3
82.06547	0.7
83.06088	2.6
83.08566	0.5
84.04472	2.5
85.10165	3.7
91.05460	1.2
92.04987	0.7
93.04544	0.6
93.07015	1.2
95.06073	45.2
95.08587	6.7
96.04460	1.7
97.10169	0.5
98.20841	0.7
100.92218	0.5
103.05434	0.6
105.03358	1.7
105.06985	0.8
107.06052	1.3
107.08594	0.6
109.03996	1.3
109.06380	0.8
109.07612	4.6
110.07124	4.8
110.94738	0.5
111.05541	11.1
119.06047	5.1
120.05566	7.4
121.02834	1.9
121.03960	1.0
121.06494	1.1
122.07129	32.7
124.03923	1.1
134.07143	0.9
135.05534	2.8
136.08672	21.5
137.07112	0.6
146.07115	5.5
147.05499	5.4
149.02338	2.3
150.05469	0.9
155.14272	1.5
162.06624	2.5
164.08173	65.7
165.08484	1.5
166.06081	1.5
174.06619	2.9
180.07683	2.3
190.06096	1.4
192.07617	1.9
208.07060	1.5
224.16478	3.0
238.18065	1.9
247.17995	0.9
248.16510	0.7
253.04852	1.2
255.02814	0.8
266.17432	2.0
270.07608	1.1
285.10190	0.6
289.18982	1.7
290.22168	3.3
299.59152	0.6
300.20639	1.7
301.19055	1.9
316.20245	1.7
318.21707	39.4
319.21939	1.1
328.20126	1.6
334.21179	13.6
335.21732	0.7
346.21237	8.6
362.20700	11.2
363.20798	0.8
390.20166	100.0
391.20483	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	390.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03411	1.1
61.02913	1.2
62.52638	0.5
63.31012	0.5
67.05488	0.6
69.03426	2.4
69.29154	0.5
69.99615	3.7
70.06573	2.2
71.04958	0.6
72.08155	1.0
78.10796	0.6
79.05457	0.6
81.03418	1.4
84.04497	1.1
84.08141	1.1
85.02889	9.7
86.09689	1.5
86.14841	0.6
91.05482	2.1
93.07053	0.8
95.04929	0.8
97.02882	2.9
98.21355	0.7
105.07008	2.4
107.04951	0.8
109.02872	1.0
109.06517	1.6
119.04919	2.4
120.08083	1.2
121.10197	0.8
122.03625	0.6
123.04401	0.8
124.07574	1.3
127.03912	1.5
131.08549	0.6
133.06479	2.0
133.10201	0.6
135.04414	0.6
137.05954	86.0
138.06287	1.5
139.03871	1.2
145.04924	1.5
147.04405	6.3
149.02437	0.7
151.07513	4.0
153.05437	2.6
154.06154	1.0
157.10089	0.9
161.05962	1.7
165.05383	0.7
166.08620	0.7
177.50066	0.6
179.06998	8.7
180.08672	1.9
192.10176	1.0
193.04933	0.7
193.08592	1.8
206.08043	0.7
210.15147	0.6
211.09618	100.0
212.09978	2.2
214.80139	0.6
227.16534	0.7
228.12311	1.5
228.16724	1.0
238.10655	3.5
246.77660	0.6
260.20233	0.6
294.50845	0.7
306.08090	0.7
363.08655	0.7
390.14529	2.4
391.08051	2.2
400.34030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01860	3.4
61.02887	1.6
64.32208	0.9
69.03415	4.5
69.48349	4.3
69.48780	5.4
70.06579	1.6
72.08141	2.2
73.02905	1.1
76.28467	0.9
77.23573	1.0
79.05481	5.2
81.03393	1.9
81.07006	1.0
83.04964	1.4
85.02889	14.4
86.09694	1.5
89.03874	1.4
91.05465	4.4
93.07004	1.2
95.04956	3.0
97.02878	4.3
98.06114	1.0
98.21528	2.1
99.04474	1.1
103.05453	5.8
105.03353	1.1
105.07013	47.6
105.92158	0.8
107.04922	4.2
107.06107	0.9
109.02863	2.4
109.06515	1.5
111.04408	1.3
115.05422	8.5
117.03410	1.1
118.04146	3.4
119.04938	6.5
121.06493	1.8
123.08089	1.0
124.07574	1.5
127.03895	3.2
131.04901	1.5
133.06470	46.2
134.03648	1.1
137.05917	2.4
138.09125	2.1
140.07024	1.2
143.04926	0.9
143.06026	1.5
145.02837	1.1
145.04929	3.0
147.04350	1.4
147.08035	1.3
149.02345	1.5
149.05890	4.8
151.07549	3.8
153.00920	1.3
153.05457	2.3
159.20396	1.1
161.05951	100.0
162.06329	2.7
163.03918	1.8
164.10716	1.9
165.09113	1.6
167.07039	1.6
168.07770	2.0
171.02049	4.2
175.07463	1.7
177.05498	1.5
179.07011	2.3
180.08670	3.0
182.11694	1.3
188.01852	1.0
193.08572	83.8
194.08829	1.8
196.07219	1.9
210.11263	3.9
211.09607	17.2
228.12267	8.8
390.09943	1.5
390.18024	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08720	0.3
63.05148	0.3
67.05478	0.4
67.45914	0.3
69.03405	0.9
70.10959	1.3
79.05475	0.4
83.04974	1.4
85.02873	0.4
86.09667	0.3
89.03895	2.1
93.03368	0.5
95.04961	0.6
107.04939	1.3
111.04440	2.2
117.03348	3.7
121.06482	1.3
129.05449	1.0
135.04387	10.2
136.04796	0.4
136.06151	1.0
138.09094	0.3
138.51897	0.3
139.02950	0.3
139.03885	1.9
140.07059	0.5
145.02821	8.0
146.03195	0.3
147.06488	0.8
157.04921	0.5
163.03868	100.0
164.04201	3.7
181.04961	0.5
193.07074	1.9
209.58040	0.3
214.58585	0.3
228.03229	0.3
228.08702	0.6
355.10138	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	389.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.3
53.03929	0.7
55.01858	0.5
55.05499	1.8
57.07068	5.3
67.05502	2.4
69.07053	2.3
69.46799	2.1
69.47218	0.5
71.08617	2.4
72.41236	0.3
79.05475	1.1
81.03409	0.9
81.07045	2.8
83.04967	0.9
83.08598	1.0
84.87407	0.3
85.02893	0.3
85.10159	1.0
91.05447	1.3
93.07018	1.1
95.04958	3.2
95.08582	2.2
97.06499	0.4
97.10130	0.4
105.07016	0.8
106.85206	0.2
107.04955	0.7
107.08573	0.6
109.02856	2.8
109.06506	0.6
109.10126	0.9
119.08547	0.7
121.06488	0.5
121.10117	0.4
121.94352	0.3
123.04409	2.5
125.05984	0.7
137.06012	0.5
151.07532	0.3
152.23868	0.2
198.89839	0.2
205.32353	0.3
207.17412	1.1
235.16934	1.2
235.20564	1.1
249.18423	1.1
263.20029	1.0
277.21616	1.1
332.23227	0.2
389.34082	100.0
390.29538	0.6
390.34445	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	389.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01873	0.5
55.05500	3.0
57.07070	7.0
59.06110	0.8
59.55048	0.4
67.05495	3.5
69.07060	3.3
71.08617	5.0
73.94832	0.5
77.64211	0.4
79.05485	1.9
81.03411	1.4
81.07041	4.4
83.04978	0.8
83.08621	1.5
85.07661	0.6
85.10184	2.4
91.05474	1.9
93.07034	1.1
95.04954	3.6
95.08591	4.0
95.91698	0.4
97.06556	0.6
97.10214	0.7
98.21452	1.0
105.07031	1.3
107.08614	0.5
109.02851	3.8
109.06491	0.9
109.10155	0.9
111.04462	0.7
112.08720	0.9
117.07028	0.5
119.08580	0.6
123.04439	3.5
125.05965	1.0
136.08742	0.5
137.02310	1.1
137.13264	0.6
150.10278	0.5
151.09764	0.5
155.14288	0.9
173.08171	0.5
174.07802	0.6
207.17583	0.8
229.56490	0.6
235.16887	0.9
235.20595	1.4
249.18590	1.3
250.73586	0.5
263.16412	4.5
263.18994	0.5
263.20010	0.5
277.21753	1.2
329.17657	0.5
331.13373	0.6
366.33389	0.5
389.30347	11.4
389.34274	100.0
390.30545	1.0
390.34668	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	389.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
57.07067	4.6
67.05493	2.6
69.07058	2.1
69.77579	3.5
71.04993	0.5
71.08618	2.8
75.03677	0.4
75.41783	0.4
78.82121	0.4
79.05480	1.0
81.03406	1.4
81.07040	3.3
83.08588	0.9
85.10192	1.2
91.05471	1.4
93.07040	1.3
95.04942	3.3
95.08572	3.2
97.06457	0.8
97.10166	0.6
105.07000	1.1
109.02827	2.5
109.06450	0.5
109.10148	0.9
119.08535	0.8
123.04420	2.7
125.05952	0.6
133.10095	0.6
133.24251	0.4
133.51474	0.4
145.10042	0.6
207.17462	1.2
235.16943	1.1
235.20676	1.0
249.18434	1.3
263.20078	0.9
277.21616	1.0
389.17551	3.5
389.34113	100.0
390.17883	0.6
390.30157	0.8
390.34482	7.8
411.30106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.5
57.07075	3.8
67.05486	2.5
69.07042	2.5
69.50262	4.4
71.08620	2.6
79.05476	1.2
81.03401	1.3
81.07024	2.9
83.08588	0.9
85.10166	1.2
91.05456	1.4
93.07030	1.2
95.04939	3.1
95.08601	2.8
97.10201	0.4
99.01762	0.4
103.85912	0.4
105.07001	0.9
107.04957	0.4
107.08584	0.7
109.02861	2.3
109.06477	0.8
109.10130	0.5
119.08578	0.9
121.06496	0.5
121.10129	0.5
123.04390	1.9
123.11710	0.4
125.05986	0.7
131.85364	0.4
133.06474	0.6
137.05939	0.4
147.08046	0.4
158.77647	0.4
206.30844	0.4
207.17441	0.8
235.16919	1.3
235.20590	0.6
249.18466	1.2
263.19879	0.5
277.21658	1.4
347.67880	0.5
366.32809	0.4
389.34094	100.0
390.34445	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	389.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.0
53.61839	3.2
55.01847	3.4
55.05507	17.1
57.03421	3.2
57.07048	3.4
65.03913	4.7
67.05494	87.0
69.03414	4.1
69.07059	15.9
69.52818	34.3
71.04985	3.0
79.05479	48.8
81.07046	93.1
81.07527	5.4
82.07371	4.8
83.04990	8.2
83.08591	9.5
85.02893	5.6
85.06488	8.8
87.00810	14.1
91.05458	61.1
93.07033	61.6
95.04964	9.4
95.07986	6.2
95.08596	100.0
96.08907	3.2
97.06513	11.9
97.10143	7.3
99.08076	7.6
103.05428	4.5
105.03362	11.9
105.07021	38.6
107.04911	7.2
107.08585	46.9
109.06494	7.9
109.10137	60.0
111.04431	4.0
111.08051	3.5
113.06001	3.9
113.09636	9.8
117.07019	5.5
119.08554	48.5
120.08059	4.2
121.06508	4.6
121.10121	59.7
122.10396	3.9
123.08025	5.8
123.11684	17.3
127.52776	3.6
129.06985	5.1
131.08556	11.0
133.10114	52.3
134.10458	6.2
134.39076	3.1
135.08022	4.0
135.11697	27.3
137.05916	10.5
137.09602	7.9
137.13222	6.8
139.03868	4.7
143.08575	4.6
145.10107	10.9
147.07988	7.5
147.11671	43.1
148.11925	3.6
149.09596	8.3
149.13240	20.4
151.11134	6.9
152.27437	3.9
153.12822	5.3
157.10097	11.7
159.11771	6.5
161.09572	8.7
161.13243	10.8
163.11128	6.8
163.14778	7.3
165.09079	10.8
165.12856	4.4
167.10640	6.9
171.11644	9.2
174.13574	3.3
175.11105	5.7
175.14763	16.4
177.16362	14.7
179.10635	9.5
181.04906	8.8
183.06566	4.1
185.13332	3.8
187.14833	4.1
189.16374	7.6
191.14317	4.6
192.14656	4.8
203.17928	78.2
203.19833	4.5
203.21471	3.9
213.16328	24.9
221.18945	8.7
227.18279	7.8
231.17393	42.3
239.20016	10.1
249.18410	17.6
289.17941	3.3
297.62784	3.3
305.57428	3.0
307.18924	9.3
335.18533	4.7
353.19644	30.0
371.20715	5.2
387.38458	3.7
389.15448	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2163
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.01852	2.0
55.05505	6.5
55.19064	1.5
57.03425	5.2
57.07060	2.5
59.05005	3.6
64.60500	1.2
67.05492	5.9
69.03426	6.3
69.07047	5.6
69.19845	1.1
70.06583	2.2
71.04977	4.5
71.46404	1.7
75.20335	1.2
76.91795	1.3
79.05482	5.2
81.03396	2.4
81.07043	16.0
83.04951	5.9
83.08591	4.9
85.02897	27.1
85.06528	3.7
86.09681	4.6
89.06023	5.7
91.05473	6.0
93.07023	12.7
95.04954	23.9
95.08598	10.4
97.02882	4.9
97.06515	30.1
99.04444	5.8
99.08073	6.3
105.07017	18.5
107.08574	15.9
109.02864	2.6
109.06505	54.2
109.10139	14.6
110.06857	1.4
111.08065	4.5
111.62315	1.3
115.07545	11.7
117.07029	1.7
119.08561	12.4
120.09014	1.2
121.10111	20.4
123.08061	6.1
123.11696	3.4
124.07571	2.9
125.09626	6.3
127.03945	3.3
127.07559	1.9
131.04919	2.0
131.08542	11.5
132.08777	1.2
133.10109	59.6
134.10435	4.1
135.08041	8.9
135.11711	3.8
137.09639	2.3
139.11156	2.4
143.08492	1.6
145.10117	4.3
147.11664	36.1
148.12082	2.0
149.09602	3.5
149.13223	5.9
151.11131	6.2
153.05389	1.7
153.09090	22.4
158.10901	4.0
163.03906	2.6
163.14752	6.7
165.12738	4.4
167.14294	4.0
171.10147	3.5
173.13225	27.8
174.13628	2.0
175.14822	2.4
191.14288	41.3
192.14691	2.7
209.15343	100.0
210.15710	5.2
227.16396	65.6
227.18655	2.9
228.16737	3.7
238.10573	3.1
372.23102	3.1
389.15710	4.6
390.15756	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	389.2162
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.05476	3.7
57.03417	3.9
57.07064	3.8
59.04992	3.4
67.05462	6.0
69.03400	11.1
69.07042	6.6
70.06597	3.3
71.04974	5.8
71.79121	4.3
72.08125	10.0
79.05486	6.0
81.03426	7.6
81.07040	25.7
83.04943	5.8
83.08594	5.6
84.04491	7.7
84.08143	3.4
85.02896	30.1
85.06509	3.9
86.09672	10.7
91.05444	9.4
93.07020	15.0
95.04958	44.2
95.08572	11.0
97.01379	2.8
97.02880	7.4
97.06503	32.8
99.04443	10.8
99.08067	5.8
102.05519	4.0
105.07001	37.5
106.07296	3.9
107.08582	17.5
109.02840	4.7
109.06502	50.1
109.10121	14.7
111.08058	4.9
112.08741	3.2
115.07536	20.0
119.08578	18.0
121.10111	25.6
122.09679	5.2
123.04393	5.1
123.08066	5.0
123.09947	4.2
123.11666	5.2
125.09528	3.3
127.03864	6.7
127.07486	5.8
131.08517	17.2
133.10100	65.3
135.07971	6.4
135.11713	4.8
137.02354	4.0
137.05934	10.5
137.09578	3.9
138.02634	4.1
139.11189	3.8
145.10101	7.3
147.11641	35.9
147.12686	3.5
149.09612	3.9
149.13243	9.2
151.11089	4.9
153.09074	26.2
158.10881	4.8
161.52635	3.1
163.03917	15.6
163.14748	7.4
165.12749	6.8
167.14268	4.9
171.10106	7.4
173.13223	33.9
191.14255	49.9
195.45691	3.4
209.15334	100.0
210.15588	4.3
211.09624	11.9
225.04204	6.0
227.16382	69.9
228.16667	5.0
389.13220	5.4
389.17776	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.8
53.96458	0.7
55.05495	2.9
55.99298	0.7
57.03415	2.5
59.04982	1.7
66.50619	0.8
67.05488	4.2
69.03407	3.2
69.07060	5.7
70.57188	1.7
70.57545	1.6
71.04975	2.9
79.05487	18.2
81.07045	27.3
83.04971	1.3
83.08588	1.1
85.02901	6.6
85.06537	1.6
91.05448	3.4
91.05961	0.8
93.07028	10.0
95.04944	2.0
95.08597	9.8
95.98827	0.7
97.02853	2.5
97.06505	5.1
99.04439	4.7
105.07018	7.3
107.08576	66.8
108.07671	0.7
108.08906	2.7
109.02853	1.2
109.06505	8.1
109.10130	3.3
111.08099	0.9
111.75530	0.7
115.07545	1.5
116.90759	0.6
119.08544	5.9
121.10130	22.2
123.08065	4.3
123.11668	2.0
125.09588	4.0
127.03870	1.4
131.08519	1.7
133.10078	4.2
135.11684	5.7
137.13206	1.0
139.11162	0.9
140.87161	0.7
145.04964	2.0
145.10126	0.9
147.11644	1.1
149.13208	1.4
151.48407	0.8
161.13249	18.4
163.06046	1.2
163.11166	0.8
163.14799	6.7
165.12659	0.7
173.13272	2.1
179.14288	100.0
180.14616	4.7
191.14291	16.8
193.15781	1.2
194.89627	0.8
207.13969	0.7
209.15355	13.6
227.16342	3.2
282.77362	0.7
353.19254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1796
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03933	7.1
55.01854	1.2
55.05495	11.2
57.03418	5.0
61.02893	1.8
67.05478	2.3
69.03416	18.5
69.07052	2.2
71.04980	9.1
71.81078	1.5
73.02873	1.4
76.03030	0.7
79.04239	0.8
79.05476	1.5
81.03400	31.6
81.07034	5.0
83.04953	3.4
83.08607	6.3
84.08159	0.8
85.02888	59.3
85.06509	1.1
86.09720	0.9
91.05458	4.6
93.07014	4.5
95.04939	4.1
95.08588	4.4
97.02876	5.9
97.06521	2.1
99.04437	30.3
99.08054	1.7
103.03923	60.2
105.03374	10.1
105.06989	3.2
107.04909	1.0
107.08550	2.7
109.02855	25.8
109.06497	2.0
109.10134	3.0
111.04432	1.4
111.08058	6.3
113.09612	1.7
115.03909	1.4
119.08556	2.3
121.06455	1.5
121.10104	2.0
123.08010	2.5
123.11685	2.1
125.09612	1.2
127.03892	100.0
128.04228	1.5
131.08534	1.6
133.10114	1.5
135.08003	3.9
135.11624	1.8
137.05913	1.5
137.09557	0.9
139.07562	4.4
141.09081	7.1
145.04935	12.8
147.11632	1.9
149.09619	0.9
151.03879	1.1
151.07516	2.4
151.11102	1.6
153.09044	0.8
163.05992	2.0
165.09113	1.0
167.10675	1.3
179.10535	0.9
181.04941	2.1
187.05991	9.1
191.10648	1.2
191.14290	1.6
209.11656	7.6
209.15306	3.9
227.12808	1.9
253.07033	4.3
269.13770	11.9
271.08090	2.2
287.14969	0.8
300.06775	0.9
314.10800	1.3
327.13953	4.4
384.20877	0.7
389.22272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07052	2.6
67.05484	2.5
69.07034	1.9
69.80361	9.0
71.08605	4.6
75.04465	100.0
79.05472	3.6
81.07026	3.3
84.43430	1.4
85.10143	1.7
91.05445	5.3
95.04962	1.5
95.08591	5.2
105.06963	2.4
107.08559	5.9
109.10147	1.3
131.12975	1.3
155.14272	4.4
158.77814	1.1
203.71930	1.4
388.39188	3.6
389.26437	5.3
389.34268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	2.9
58.04206	0.6
65.78199	0.5
67.05488	2.0
69.07040	1.0
71.08627	3.7
71.25359	1.3
75.04465	100.0
76.04800	0.6
79.05482	2.9
81.03400	0.8
81.07024	3.0
83.25905	0.5
84.65889	0.5
85.10165	2.5
85.76508	0.6
90.80171	0.7
91.05455	3.4
93.07038	1.0
95.04947	1.2
95.08595	3.1
105.07010	1.4
107.08579	4.1
108.08897	0.7
109.06473	0.6
118.63353	0.5
130.08656	1.5
131.08459	0.5
137.13214	0.8
155.14282	4.9
247.29395	0.6
301.39047	0.6
332.33142	0.6
388.35681	4.6
388.39890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.3
50.05217	0.2
51.02361	0.7
53.03940	3.3
55.01844	0.3
70.64960	0.8
70.71262	0.2
77.03902	0.9
79.05473	0.6
81.03400	0.4
81.07011	0.4
85.02885	0.2
85.06503	0.2
86.09711	0.2
91.05461	0.3
93.07008	0.2
95.04953	8.0
95.08566	0.2
103.05503	0.2
105.03371	100.0
106.03724	1.5
107.04932	0.2
107.08582	0.2
109.02853	0.3
109.10115	0.3
117.07001	0.2
118.06542	0.4
121.10077	0.2
122.06013	3.4
123.04437	0.2
127.03909	0.2
131.08508	0.2
135.02628	0.7
137.05965	0.7
141.06927	0.4
145.77762	0.2
146.05937	0.6
147.02620	0.3
149.00511	0.2
151.02081	0.5
162.03694	2.6
163.02113	0.6
167.07109	0.3
169.06512	0.4
173.00525	0.6
177.03661	0.5
179.01581	0.4
181.04915	0.4
189.09055	0.3
190.00797	0.2
190.03175	1.6
192.06496	0.4
192.14641	0.2
198.05788	0.4
205.03157	2.7
209.15303	0.3
215.06992	3.7
222.05798	7.9
223.06055	0.3
224.03862	0.2
227.16379	0.4
250.05292	0.3
254.06316	0.2
268.06424	0.6
272.07245	0.3
282.05829	0.4
296.07355	0.7
300.06833	9.5
301.07205	0.4
312.06769	0.3
326.08331	4.7
327.08817	0.3
353.09464	0.3
364.95654	0.2
372.08911	1.5
389.11545	2.4
389.15765	0.2
390.11664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2475
Annotation	Macrodaphniphyllamine
Peak:m/z	Relative Intensity
55.05390	1.3
55.05626	1.0
57.06928	5.5
57.07245	3.3
65.21716	0.6
67.05343	3.3
67.05730	1.4
69.06923	1.3
71.08462	8.5
71.08907	3.0
71.81677	1.2
76.47088	0.7
79.05361	1.3
79.78758	0.6
81.06876	7.7
81.07399	2.0
85.09998	5.4
85.10558	1.0
93.06876	0.8
95.04799	0.7
95.08408	8.0
95.09083	1.6
96.04310	2.6
105.06884	0.7
109.10017	0.7
124.03750	1.3
130.06313	8.1
132.04298	0.7
132.07878	2.9
135.06635	0.8
135.11555	0.8
137.13045	1.0
144.07919	2.0
146.05785	2.4
146.09439	2.3
148.07339	0.7
155.14226	3.2
156.08098	6.8
156.09218	1.4
158.05981	6.0
158.09425	1.8
160.07454	0.9
167.07124	1.4
168.07892	1.1
170.05818	1.0
172.07355	1.9
173.08203	0.7
174.09152	8.8
180.07919	1.3
182.05815	1.8
183.06705	3.1
184.07553	28.5
185.07820	0.8
186.05305	2.8
186.08946	2.4
188.56934	0.7
196.07454	2.1
198.08966	1.3
202.08600	12.2
207.04892	0.6
208.07298	1.2
212.06880	2.1
248.19945	2.0
260.20010	0.8
282.22311	0.7
296.20059	0.6
309.20819	1.0
310.21597	25.3
311.21844	0.9
312.19601	4.6
325.39377	0.7
326.91077	0.6
338.17090	0.8
338.21088	16.3
356.22153	100.0
357.22470	5.8
366.21594	0.7
370.23862	0.7
388.24927	7.2
388.35745	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18637	0.7
53.03928	0.7
55.01853	1.3
55.05492	2.7
57.07054	0.9
61.01458	0.6
63.34338	0.6
65.03925	1.1
67.05491	3.7
69.03412	3.6
69.07043	2.4
70.53493	0.8
70.53848	2.5
71.04994	3.9
79.05457	3.2
81.03400	1.5
81.07030	4.5
83.04960	2.0
83.08594	1.4
85.02897	5.6
85.06522	0.8
86.09650	0.8
91.05462	9.3
93.07015	5.6
93.45930	0.6
93.93047	0.7
95.04959	3.6
95.08586	3.3
96.25481	0.7
97.02866	1.9
97.06509	1.5
99.04444	7.1
103.05429	1.0
105.07002	11.5
106.07365	0.9
107.04950	0.7
107.07883	1.2
107.08575	13.2
108.08880	0.7
109.02886	1.3
109.06468	2.7
109.10135	2.2
115.05418	1.4
116.06232	1.0
117.07019	5.0
119.08572	14.0
121.06480	1.0
121.10126	14.6
123.08079	2.8
123.11674	1.4
125.09613	0.8
127.03879	1.7
128.06140	0.9
129.06969	4.1
130.07727	1.5
131.08542	19.0
133.10107	7.3
135.08020	4.0
135.11682	1.3
143.08536	9.2
144.09314	3.3
145.04924	1.5
145.10104	14.2
146.05367	0.9
147.11661	7.4
149.09598	1.8
149.13245	7.6
151.07475	1.2
153.09023	1.4
158.10873	10.7
163.14859	1.0
164.11440	0.8
165.12793	1.0
169.12123	0.7
173.11830	1.4
173.13231	17.8
175.14798	8.4
183.13792	2.3
191.14279	100.0
192.14694	3.6
207.13754	2.0
208.14096	3.1
209.15347	5.2
225.14862	0.7
227.16388	8.8
388.20358	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80188	0.2
51.02346	0.3
53.03921	0.4
55.01841	0.3
55.05527	0.2
62.51310	0.2
65.03920	1.0
67.05484	1.0
68.99770	0.8
69.03403	0.6
70.46928	0.7
70.47333	0.4
70.72890	0.2
81.03393	0.6
83.04959	2.5
84.04479	0.2
84.08127	0.6
85.02882	1.1
86.09691	0.2
87.00802	0.7
91.05450	2.7
93.03385	1.1
93.06449	0.2
93.07026	4.7
95.04948	3.2
97.02865	0.3
103.05451	2.9
109.01600	0.3
109.02881	0.4
111.03651	0.2
111.04423	5.0
121.02935	1.4
121.06480	100.0
122.06798	3.3
123.04446	0.3
127.03855	0.5
129.05481	1.6
129.10202	0.6
137.02315	15.8
138.02692	0.4
138.09114	31.7
139.03882	1.9
139.09460	1.0
149.02312	3.6
151.03871	0.5
157.04955	1.1
161.02361	0.6
163.03839	0.8
179.03372	5.1
185.02573	0.3
193.06952	0.4
197.04399	2.2
201.03807	0.4
217.07019	1.9
235.07590	0.3
307.08218	0.8
313.09250	0.3
353.08505	0.9
357.54288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07032	0.9
63.95798	0.8
67.05443	1.0
69.83669	2.5
69.84097	2.4
79.05447	1.3
81.07001	1.5
83.04929	1.5
86.09666	1.7
105.07040	0.9
109.06452	1.7
119.08498	0.8
121.10111	0.9
124.99946	1.2
129.66478	0.7
136.22046	0.7
140.14470	0.6
184.07292	3.7
202.08566	0.7
219.06671	1.0
220.07529	1.5
234.09074	1.3
248.07065	4.3
248.20035	0.9
249.05461	1.2
249.07782	2.0
258.09076	0.9
262.08533	1.2
264.10199	1.1
269.08325	0.9
270.09094	1.7
271.09833	1.2
272.10727	1.5
273.07739	2.4
273.10898	0.9
274.08508	1.9
276.06622	1.8
276.09808	0.8
277.07379	4.7
279.08847	1.4
280.09583	2.3
280.28818	0.8
282.09061	1.2
284.10638	2.9
285.08215	0.7
285.11404	4.3
286.08548	4.8
286.11664	1.4
287.09378	15.6
288.10101	3.4
289.10699	1.1
290.07977	0.9
292.06485	1.3
292.09634	13.7
293.10010	1.5
296.10748	1.0
298.08398	2.2
298.12198	2.2
299.09479	2.2
299.12671	1.0
300.10150	7.0
300.13364	1.0
301.07480	1.3
301.10880	18.9
301.14368	1.0
302.08072	5.3
302.11658	20.9
303.08517	1.0
303.11966	1.2
305.10358	1.2
306.11142	0.8
308.09427	1.0
310.08484	0.9
311.09531	0.9
312.10077	5.5
313.07486	0.8
313.10938	1.8
314.08054	4.8
314.11707	2.9
315.08765	4.7
315.12354	1.7
316.09668	12.3
316.13190	1.3
317.10156	2.7
318.11087	3.0
320.12674	1.0
324.10126	1.1
326.08234	1.2
326.11627	5.2
327.12381	1.9
328.09518	7.7
328.13272	10.9
329.10309	5.1
329.13968	2.2
330.11191	100.0
331.11691	10.0
332.12811	5.3
340.09552	2.3
341.10236	1.5
342.11179	1.6
342.14832	3.1
343.15533	1.2
344.09027	1.8
344.12735	12.8
344.16467	1.9
345.13544	48.8
346.13947	5.6
354.11276	6.0
355.11795	2.1
356.12698	4.1
357.13235	1.0
358.10577	3.1
359.15161	2.5
360.12094	3.2
360.15851	9.1
361.16321	0.8
370.14307	19.1
370.19128	0.9
371.14975	2.7
372.12369	1.2
373.12799	1.5
387.40433	0.9
388.15372	71.9
388.35660	12.7
389.15677	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
53.03933	3.7
55.01859	2.6
55.05494	1.9
57.03428	7.0
57.07064	3.3
59.04987	1.9
61.02919	9.7
62.03742	1.0
67.05499	5.6
69.03421	24.8
69.07043	2.9
69.83340	7.2
71.04971	3.3
73.02897	4.0
75.45094	1.0
79.05482	5.5
81.03402	12.6
81.07049	8.0
83.01315	1.4
83.04951	3.5
83.08603	1.7
85.02893	59.7
85.06524	2.7
86.09689	1.2
87.04454	4.7
91.03934	4.8
91.05464	4.5
93.07034	7.4
95.04949	4.4
95.08593	12.2
97.02879	24.1
97.06519	6.5
99.04433	5.6
105.03297	1.1
105.07032	9.7
107.04924	1.5
107.08571	8.6
108.05738	1.9
109.02868	6.7
109.06502	6.5
109.10124	6.4
111.04459	1.1
111.08073	2.2
115.05450	1.1
117.07002	2.5
119.08569	8.7
121.06460	3.3
121.10142	8.5
122.07281	2.3
123.04420	1.4
123.08052	42.6
123.11665	2.2
125.05963	8.7
127.03908	12.9
131.08534	2.6
133.06454	3.3
133.10092	6.8
135.08054	3.4
135.11694	5.0
137.05936	4.7
137.09648	3.6
139.03917	7.5
142.64310	1.1
143.08557	1.5
145.04948	20.7
145.10152	6.3
147.07941	1.1
147.11670	4.5
149.09554	3.1
151.07520	69.0
151.11159	3.1
152.07733	1.3
153.09050	3.1
156.09372	1.7
161.09665	1.4
161.13252	3.9
163.03923	1.4
163.11166	33.9
163.14857	1.6
165.12769	5.2
167.06992	3.5
171.06433	1.0
171.11717	1.8
173.13341	1.0
177.12759	3.4
179.14311	1.2
181.08626	1.4
181.12213	25.3
184.78999	1.0
189.12714	16.7
191.14331	5.5
192.11444	2.9
195.13687	1.1
204.37987	1.0
207.13777	100.0
208.14140	3.5
209.15324	7.1
219.10239	2.0
225.11441	1.4
225.14821	26.6
272.05573	1.7
313.03351	1.7
369.19141	1.2
387.14999	3.1
387.20053	61.9
388.20377	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	387.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.1
55.05490	7.9
57.07058	12.2
67.05479	9.8
69.00190	1.8
69.03421	4.1
69.07053	17.6
69.74599	16.9
70.06580	2.4
71.04980	2.0
71.08620	14.0
73.02893	2.5
79.05459	9.1
81.03356	3.8
81.07040	15.8
83.01314	7.9
83.04961	3.5
83.08591	3.1
84.04466	4.8
85.02877	2.6
85.10162	6.7
91.05444	7.2
93.07008	8.9
95.04939	6.0
95.08614	13.6
96.08155	2.5
97.02854	2.5
98.20745	4.6
103.05423	2.6
105.03369	7.9
105.07009	67.6
106.07356	2.8
107.04953	9.5
107.08549	4.8
109.02902	2.7
109.06493	2.1
109.10086	2.7
111.00757	9.2
111.04424	2.5
113.02388	1.9
117.06966	4.4
119.08514	4.2
121.02838	4.3
121.06466	8.7
121.10107	3.6
125.02305	2.0
125.05926	3.5
131.08505	5.6
133.10109	3.0
135.04378	3.4
135.07999	4.0
135.11662	3.0
136.09518	2.0
137.02328	2.8
137.05972	2.5
139.00227	9.3
139.03859	4.2
143.08530	2.7
145.10075	4.2
149.05937	4.2
155.03352	4.8
155.14229	7.1
158.07130	3.3
159.07999	2.3
159.11699	2.8
161.13214	2.6
166.06171	2.7
167.03377	6.1
167.07024	15.5
173.09579	7.9
173.13243	2.4
179.07037	2.6
181.08528	17.1
187.07353	2.2
195.10039	2.6
201.09012	12.0
217.08167	4.9
219.13849	3.6
231.02814	6.2
233.11627	8.4
247.13376	2.9
265.14288	53.0
266.14633	3.3
283.15363	47.1
284.15799	4.3
337.16397	100.0
338.16611	7.2
355.17432	8.4
369.19028	6.1
387.25610	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2007
Annotation	Junipeionoloside
Peak:m/z	Relative Intensity
52.63528	0.5
53.00287	0.7
53.03922	1.1
55.01846	2.1
55.05496	4.9
57.07066	11.8
59.04984	0.7
65.03902	1.7
67.05495	7.0
68.99762	0.8
69.03402	2.0
69.06726	0.6
69.07053	5.9
70.06588	4.3
70.99940	1.9
71.01328	2.4
71.08240	0.9
71.08618	14.6
79.05485	5.2
81.03405	4.0
81.06610	0.7
81.07040	10.4
83.01337	0.8
83.04929	2.0
83.08576	2.8
85.02890	24.6
85.10173	7.1
91.05486	3.6
93.03418	3.0
93.07043	2.9
95.01270	1.8
95.04964	3.3
95.08002	0.7
95.08590	11.7
97.02857	1.0
97.06477	1.7
99.04417	1.4
103.05421	1.1
105.03321	2.3
105.07014	3.7
107.04894	2.6
107.08544	1.8
109.02843	3.8
109.06516	1.2
109.10084	1.5
111.04411	2.8
113.02322	1.1
113.05963	0.7
115.08673	7.0
116.07026	1.2
117.06977	1.5
119.01236	0.9
119.08540	2.2
121.02868	6.4
121.06448	2.3
121.10080	0.7
123.04414	2.9
123.07999	0.6
123.11697	0.6
125.02334	2.9
125.05979	1.4
127.03858	1.2
129.07005	0.7
131.08496	1.1
133.06413	1.7
135.04352	2.1
135.08006	1.0
137.02266	2.4
137.05911	1.7
137.13216	1.0
139.03877	4.7
141.01759	0.9
143.08525	1.1
145.10046	1.0
146.05949	0.9
147.04401	1.3
149.05910	1.9
151.03900	3.6
151.07420	0.9
153.05417	3.7
155.03310	1.4
155.14253	5.5
157.10103	0.6
159.04503	0.7
159.11678	0.7
161.05933	1.3
161.09563	0.7
161.13170	0.8
162.05443	2.3
163.07486	1.3
165.01811	4.8
165.05391	0.9
167.03363	1.0
167.07002	1.0
169.04878	1.8
171.06485	1.2
173.09450	0.6
175.03905	0.7
175.07515	1.1
177.05426	0.8
177.09036	0.8
183.02831	2.3
187.06032	0.8
187.08636	0.8
193.04976	0.8
197.04356	2.9
197.07091	0.6
197.15207	0.9
203.03116	0.5
203.14235	0.8
215.08159	1.3
223.16835	1.2
225.14774	1.0
233.06450	0.8
239.16425	7.0
251.16359	0.8
253.17938	4.4
263.16302	2.0
265.17920	1.9
267.15839	5.0
279.19611	0.7
281.17307	4.6
291.15817	0.9
293.17316	1.3
295.18875	1.2
299.18500	4.5
307.18991	1.2
309.16983	5.6
319.15259	2.3
323.18127	0.8
337.16446	4.6
341.19507	2.3
351.17715	0.7
369.18884	100.0
370.19299	4.1
387.19855	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2004
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
57.07043	7.6
62.59329	3.9
67.05494	21.1
70.06562	7.9
70.38106	18.1
85.02862	7.8
85.06514	16.2
93.06987	5.8
95.08587	100.0
95.09186	6.2
105.07029	6.2
107.08575	12.5
107.69498	3.3
109.06451	7.0
113.05963	16.2
114.99791	3.4
119.08563	15.6
121.10094	8.2
122.41798	3.8
123.08041	36.5
132.79610	3.7
133.01587	3.9
133.10173	4.3
135.11653	20.2
147.05949	3.7
147.11719	6.6
149.09595	41.4
151.14784	4.9
161.13213	17.0
163.11174	12.8
165.12732	10.6
189.12714	21.6
207.13773	86.6
220.55811	3.9
232.73930	3.5
246.46555	3.5
337.31155	3.4
338.56531	3.4
387.16229	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	387.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
54.89988	1.2
54.90254	1.5
55.01855	3.7
55.05502	9.5
57.07066	20.3
65.03933	2.3
67.05495	11.1
69.03430	1.7
69.07056	13.6
71.08243	1.8
71.08621	29.5
71.78817	1.9
71.79174	1.4
73.02893	2.4
79.05466	5.7
81.03381	3.8
81.07044	24.3
83.01316	2.1
83.08598	3.8
85.02898	1.5
85.10172	16.0
86.36126	1.4
91.05463	4.7
93.03351	2.3
93.07012	5.4
95.04928	3.5
95.08593	21.4
97.06496	1.6
97.10136	1.8
105.03420	1.5
105.06998	5.1
107.04932	6.2
107.08572	2.4
109.02860	1.8
109.10126	2.1
111.00804	2.3
111.08070	1.4
116.74255	1.4
117.07014	2.8
119.08518	2.9
121.02849	5.0
121.06450	1.9
121.10151	2.3
123.04446	1.7
125.02314	3.4
131.08519	3.9
135.04398	1.6
135.08009	2.8
135.11650	2.0
137.02310	2.6
137.13269	2.5
139.00267	1.6
139.03864	5.3
141.01805	3.1
145.10121	2.6
149.02318	7.4
149.05891	1.8
153.01826	1.4
153.05414	2.0
155.03438	1.7
155.14279	25.3
163.07486	1.5
167.03352	5.3
167.06964	2.3
173.09607	2.0
180.55713	1.3
181.08589	4.0
201.09166	2.1
201.12553	2.2
217.08241	1.8
231.02832	1.3
233.11623	1.8
243.26143	1.4
265.14310	71.7
283.15366	35.2
283.31024	1.5
293.17426	2.3
297.17163	1.5
306.16644	1.8
337.16409	100.0
338.16699	3.2
355.17432	32.5
369.19089	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	387.1795
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
50.01159	0.6
53.03926	2.6
65.03909	1.1
67.05480	1.3
70.84705	2.4
77.03899	0.8
78.04680	1.4
79.05475	13.8
81.07024	1.7
91.05462	11.9
93.07026	9.7
95.04954	5.5
97.06519	8.2
98.23080	0.8
103.05456	3.6
105.03350	1.2
105.04494	1.4
105.07029	4.0
106.04147	1.1
107.04935	31.4
110.16241	0.7
111.04414	1.0
111.08052	0.7
115.05457	0.8
117.06971	3.6
119.04914	2.6
120.05700	2.5
121.06484	15.1
122.03643	1.2
123.04423	6.6
124.05180	5.8
125.05984	4.7
127.03890	0.8
128.06187	2.3
129.06956	1.4
130.07788	5.6
133.02798	1.0
133.06512	0.7
134.03607	1.1
135.08047	1.8
137.05942	2.9
138.06717	1.8
139.03871	12.0
139.07541	1.2
141.06982	1.0
143.08539	10.6
145.06467	1.7
145.10103	24.0
147.04405	1.6
148.05165	2.4
149.05922	3.9
151.03845	2.6
152.04657	2.7
153.06938	1.1
155.08521	6.2
157.06450	1.2
158.07243	28.9
166.06223	12.5
167.07011	84.7
168.07356	1.6
171.08000	1.9
173.09589	44.5
174.08519	0.7
174.09964	1.2
175.07509	1.6
181.08563	100.0
182.08919	2.2
183.09203	2.1
186.06737	5.3
189.09026	1.3
195.10127	11.2
195.41252	0.8
201.09071	72.8
202.09358	1.9
203.06966	1.3
217.08752	0.9
218.09311	3.1
219.10159	3.8
221.11577	0.9
233.11687	52.9
234.12012	1.4
234.41524	0.8
261.11255	1.9
319.30582	1.0
355.14944	1.3
369.13242	1.2
387.18039	11.4
398.25186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
55.01855	1.5
55.05485	1.7
67.05489	1.8
68.99783	0.9
69.03399	0.9
69.07048	2.2
71.07925	2.1
79.05483	9.5
81.03394	0.7
81.07047	2.0
84.08110	0.8
85.02911	1.3
90.12982	0.8
91.05468	4.7
93.07034	2.0
94.75091	0.7
95.04953	4.2
95.08570	1.8
97.02872	0.9
97.06516	9.8
101.59570	0.8
103.05447	5.5
105.03374	1.8
105.07015	14.1
107.04939	48.0
107.08556	2.1
109.06481	1.1
109.10140	1.1
111.04424	1.4
115.05414	3.7
117.06993	2.4
119.08527	1.1
120.05690	0.9
121.06490	1.0
121.10127	1.1
123.04403	5.1
124.05184	0.9
125.05975	1.5
127.03891	1.3
131.04901	1.6
132.05650	0.8
133.06468	8.8
133.10089	1.2
135.08029	14.4
135.11702	0.9
137.05963	3.4
139.03882	19.5
143.08488	1.1
145.06438	1.0
145.07591	1.2
145.10114	2.1
147.04407	1.2
149.05945	1.5
151.03909	1.0
153.01808	3.4
154.06239	2.6
155.08507	1.2
158.07251	1.1
161.05956	13.0
163.03844	1.5
163.07507	17.7
165.05377	2.4
167.01620	1.1
167.07011	26.1
173.05945	1.2
173.09604	2.0
175.07465	1.8
180.07805	2.7
181.04971	1.5
181.08676	3.6
189.05553	0.8
191.06915	1.0
193.08568	16.6
193.10182	1.4
195.01099	2.6
195.10141	100.0
196.10497	3.2
201.09071	9.1
207.13754	1.2
217.08557	2.2
219.10110	7.9
225.14748	0.9
233.08298	1.1
233.11708	2.4
261.11185	0.9
387.10056	1.0
387.14362	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	387.1796
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
51.02360	0.8
53.03924	2.4
55.01864	1.2
55.05493	1.1
58.97202	0.7
67.05483	1.8
69.07044	2.0
69.66434	1.6
69.66838	5.2
71.04951	1.0
77.03898	0.7
78.04698	1.3
79.05484	13.0
81.03431	0.7
81.07029	2.1
82.21783	0.7
91.05460	14.0
93.07033	11.1
95.04944	6.7
95.08578	1.1
97.06518	17.0
98.21417	0.9
100.11246	1.5
103.05432	5.2
105.03365	1.4
105.07006	4.5
106.04144	1.0
107.04216	1.4
107.04941	30.1
108.05190	0.7
109.06468	0.7
111.04413	2.9
115.05428	1.8
117.06976	3.2
119.04990	3.1
119.05732	0.7
120.05682	2.0
121.06480	14.3
121.10112	0.7
122.03596	1.1
123.04409	9.9
124.05192	6.8
125.06036	3.1
128.06203	2.3
129.06978	1.6
130.07774	4.4
131.04919	1.5
133.02774	1.2
133.06516	0.7
133.18867	0.6
135.04346	1.2
135.08022	1.5
137.05940	10.2
138.06714	2.1
139.03871	29.2
139.07524	1.3
140.04187	0.8
141.06894	0.9
143.08528	9.7
145.06447	2.6
145.10098	20.7
147.04364	2.5
148.05130	1.9
149.05969	4.8
151.03876	4.1
152.04651	2.9
153.06972	1.2
155.08539	6.5
158.07249	22.0
159.07921	1.7
161.05983	2.4
163.03842	1.9
163.07477	1.4
165.05481	0.8
166.06242	11.1
167.07014	76.8
168.07346	2.3
171.08041	1.9
172.08801	0.9
173.09593	37.4
174.09998	1.3
175.03793	0.9
175.07532	2.1
181.05241	3.3
181.08565	100.0
182.08928	2.3
183.09184	2.3
186.06700	4.7
189.05399	0.7
189.09096	1.8
191.07104	1.2
191.26833	0.8
195.10138	8.9
201.09079	62.5
202.09439	2.3
203.06976	0.8
205.08591	0.8
217.08607	1.8
218.09322	3.5
219.10103	8.6
233.11691	47.2
234.12050	1.6
241.08644	1.0
259.09610	0.8
261.11203	1.9
329.10004	1.0
337.10437	1.0
355.15103	0.9
357.13364	0.9
369.13174	2.4
387.14105	2.7
387.17990	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	387.1793
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
53.03927	3.6
55.01854	1.1
57.07052	0.8
65.03912	0.9
67.05439	0.8
69.07061	1.3
70.04446	4.9
71.08608	1.1
78.04707	1.0
79.05473	12.6
81.03350	0.9
81.07018	2.6
85.39232	0.9
91.05461	13.1
93.07027	10.3
95.04928	6.2
95.08605	1.4
98.21409	1.6
103.05453	3.8
104.43046	0.7
105.02734	1.4
105.03377	18.0
105.04461	0.7
105.07014	5.9
107.04941	28.2
107.08516	0.8
108.05229	0.8
109.06441	0.8
115.05431	1.2
117.06961	3.4
119.04936	2.3
119.08566	0.8
120.05702	1.7
121.02808	2.2
121.05701	1.3
121.06489	14.2
122.03616	1.2
123.04390	3.5
124.05223	5.6
125.05972	4.0
128.06207	1.7
129.06989	1.2
130.07794	4.2
131.04922	1.7
133.02861	1.3
135.04410	1.0
135.08063	0.9
137.05981	1.6
138.06728	2.1
139.07568	1.4
141.07010	1.3
143.08554	8.2
145.06491	2.1
145.10100	19.8
147.04366	1.3
148.05135	2.1
149.05977	4.5
151.03888	4.1
152.04666	3.1
153.05397	1.2
155.08517	6.0
157.06436	1.3
158.05865	0.8
158.07240	22.9
166.06247	10.5
167.07011	82.8
168.07339	2.0
171.08064	0.9
173.09592	35.9
174.09944	1.2
175.07541	1.0
177.05525	1.1
181.08568	100.0
182.08896	2.9
183.09171	1.5
186.06700	4.1
189.09030	1.2
195.10161	7.9
201.09071	62.2
202.09424	2.8
218.09329	3.1
221.06046	1.9
231.02812	1.3
233.11691	47.3
234.11974	1.7
238.08641	1.6
249.05405	1.6
267.06372	1.8
269.04315	0.9
283.80093	0.9
297.47903	0.8
387.14203	1.7
387.18210	12.9
387.24588	4.7
388.11819	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	387.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
51.02366	0.3
53.03933	0.8
53.23804	0.1
53.97440	0.1
55.01861	0.1
55.05500	0.3
57.03429	0.2
57.07056	0.5
63.29321	0.1
64.72267	0.1
65.03918	0.3
67.05494	0.3
69.03408	0.8
69.07045	0.4
69.17179	0.1
69.85611	0.9
70.06548	0.1
71.04970	0.2
71.08639	0.6
77.03908	0.2
79.05480	3.8
81.03413	0.6
81.07047	0.5
83.04955	0.2
84.08131	0.1
85.02878	0.3
85.10178	0.3
86.06089	0.1
91.05464	0.4
93.07037	1.3
95.04955	1.3
95.08588	0.5
96.71844	0.1
97.02845	0.3
103.05455	2.7
105.07015	100.0
106.07351	1.9
107.04955	0.2
107.08527	0.1
109.06529	0.2
111.04430	0.3
119.04934	1.8
121.02848	0.1
121.06493	2.0
123.04453	0.2
126.05505	0.1
127.03908	0.3
129.05457	0.2
137.13295	0.1
139.03931	0.1
143.08669	0.1
143.21484	0.1
145.10112	0.2
148.10176	0.1
155.14268	0.3
167.07056	0.6
173.09624	0.4
181.08636	0.5
199.33626	0.1
201.09093	0.4
217.08266	0.2
231.02832	0.2
233.11646	0.4
261.59082	0.1
265.14267	1.0
268.00247	0.1
283.15390	0.4
337.16409	1.2
346.49890	0.2
355.17441	0.6
362.71338	0.1
387.17697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1793
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
51.02398	1.2
53.03928	2.9
55.05476	1.4
67.05491	2.1
69.03400	1.2
69.07063	1.2
78.04691	1.3
79.05470	15.8
80.52509	1.0
81.07030	2.2
83.08555	1.1
85.02880	2.3
91.05452	11.0
93.07026	11.5
95.04940	7.8
95.08599	1.6
97.02898	1.7
98.21447	2.3
103.05462	5.8
105.04517	1.1
105.07002	5.2
106.04160	1.4
107.04928	27.6
107.08601	1.1
109.02863	0.9
109.06490	1.5
109.10139	1.9
115.05439	1.5
117.06982	2.8
119.04919	1.9
119.08549	2.2
120.05681	1.5
121.06482	14.5
122.03619	1.4
123.04380	4.3
123.11747	0.9
124.05164	5.7
125.05955	3.4
128.06235	1.3
129.06999	1.7
130.07785	6.6
131.04933	2.3
133.10068	1.7
134.03503	1.1
135.08054	1.9
137.05942	4.5
138.06731	2.7
139.03865	5.9
139.07570	1.5
143.08534	11.2
145.06407	1.2
145.10101	25.7
147.11696	1.2
148.05180	2.1
149.05963	3.6
151.03850	3.7
152.04651	3.2
153.07045	1.1
155.08568	6.4
158.07231	23.9
161.09546	1.0
163.03871	1.6
163.07449	1.6
163.11267	0.9
165.12762	1.1
166.06245	9.3
167.07005	89.0
168.07324	1.7
171.08009	1.8
172.08919	1.1
173.09587	39.2
174.09941	1.2
175.07495	1.3
181.08560	100.0
182.08907	3.2
183.09218	1.2
186.06664	3.9
189.09106	2.8
192.50499	1.0
195.10114	10.0
201.09065	69.3
202.09344	1.2
203.97348	0.9
207.13794	7.3
218.09372	2.0
225.14812	2.7
233.11682	47.5
234.11908	1.5
239.19696	0.9
313.03384	1.2
324.16937	1.8
337.10394	1.0
387.17676	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	387.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61280	0.1
55.05506	0.1
57.07060	0.2
63.03630	0.1
65.03918	1.6
67.05499	0.2
69.50033	0.1
70.06573	0.3
71.01339	0.2
71.78520	0.1
81.07030	0.3
91.05444	0.2
93.07000	0.2
93.21903	0.1
95.08579	0.2
103.05471	0.2
105.07031	0.2
106.37089	0.1
107.08572	0.2
109.10157	0.1
111.04434	1.7
115.08710	0.3
119.04866	0.2
119.08585	0.1
120.08086	7.9
121.02846	100.0
121.08406	0.3
122.03175	2.2
144.69563	0.1
146.05988	0.1
151.62939	0.1
167.06999	0.2
191.28473	0.1
240.10156	23.5
241.10513	1.2
387.17068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1796
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
51.02377	0.4
53.03930	1.9
55.01864	1.2
55.05490	0.6
55.35856	0.4
57.07066	2.3
67.05482	1.7
71.08614	1.3
77.00087	0.5
77.03888	0.7
78.04703	1.6
78.56586	0.5
79.05479	12.8
81.07041	2.4
83.08624	0.5
85.02859	0.9
85.10152	0.8
91.05465	11.2
93.07026	11.8
94.04192	0.6
95.04363	0.7
95.04941	5.2
95.08591	1.9
103.05459	5.1
105.03381	1.6
105.04518	0.8
105.07024	4.0
106.04175	0.5
107.04937	29.7
107.08582	0.5
109.06478	0.7
110.03627	0.5
111.04425	1.0
111.08044	0.6
115.05463	1.5
116.95525	0.5
117.06986	2.6
119.04959	2.3
119.08546	0.4
120.05718	2.5
121.02843	1.2
121.06488	15.2
123.04435	4.2
124.05176	6.4
125.05999	3.1
128.06172	2.2
129.06992	1.5
130.07758	5.8
131.04953	2.4
131.05806	0.6
131.08508	0.6
133.02831	1.0
133.06436	0.9
135.04289	0.5
135.08005	1.8
137.05969	1.5
138.06728	1.4
139.03883	0.7
139.07504	1.4
141.06929	0.6
142.07709	0.6
143.08534	9.3
144.05702	0.6
145.06447	2.0
145.10103	27.5
146.10474	0.7
147.04390	1.5
148.05171	1.7
148.07614	0.5
149.05959	3.6
151.03929	2.7
152.04633	3.0
153.06938	1.1
155.08537	6.3
155.14267	0.6
158.07242	24.4
159.04265	0.9
159.07954	1.0
163.03923	0.8
163.07495	1.4
166.06229	11.5
167.07010	87.6
168.07368	2.2
171.08009	1.7
172.08820	1.0
173.09596	44.1
174.09933	1.5
175.07477	0.6
177.05432	1.7
181.08566	100.0
182.08908	2.5
183.09161	2.0
186.06758	4.4
189.09039	1.8
193.08553	1.6
195.10129	10.4
201.09074	68.4
202.09410	3.1
203.07025	0.6
205.08533	0.4
217.09790	0.6
218.09312	2.3
221.11685	0.9
231.02907	2.0
233.11688	55.8
234.12016	2.0
265.14355	0.9
299.18427	0.6
329.10031	0.7
337.16495	1.5
341.19510	0.9
355.15356	0.7
387.13586	1.1
387.17944	11.9
388.18420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39757	1.8
55.01859	2.7
57.03426	17.4
57.18564	1.5
58.94677	1.9
59.04971	2.5
60.04522	3.1
61.02909	5.1
62.85190	1.7
69.03416	70.2
69.07048	1.9
69.82504	7.5
69.82919	3.2
70.06583	8.8
70.86957	1.6
71.04994	4.0
72.08187	2.0
73.02907	3.9
75.04460	2.3
78.06432	1.6
81.03396	7.2
83.04961	3.2
84.08064	1.6
85.02890	100.0
86.09685	5.2
87.04453	43.4
89.03886	2.2
89.06013	2.4
91.03938	4.5
91.05480	2.3
93.06989	1.6
95.04936	4.4
97.02873	61.3
99.04437	4.9
103.03891	2.3
105.07008	2.3
105.74554	1.7
107.08625	1.7
109.02860	8.3
111.04418	2.2
112.76579	1.9
115.03909	77.0
116.07058	2.1
117.03381	3.1
121.02848	7.6
121.06515	4.0
123.04398	2.5
127.03880	22.4
133.04948	86.7
135.04399	2.9
136.07483	2.4
145.03032	1.9
145.04935	47.0
147.04408	5.0
150.05521	1.9
150.07617	8.8
163.03882	10.8
163.05988	19.6
164.04199	2.0
169.04887	3.8
177.05467	5.0
191.10649	1.8
206.11693	3.4
222.04404	5.1
231.02858	3.6
237.13290	5.7
241.07033	2.6
259.08139	4.0
277.09167	3.3
295.10141	4.4
386.15842	1.7
387.16501	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01855	0.9
55.05508	2.1
56.05023	0.8
57.03412	0.6
57.07067	8.2
58.06581	1.3
60.04504	1.2
63.02253	0.3
64.34665	0.3
67.05499	4.1
68.05020	2.4
69.03422	0.5
69.07056	3.6
70.02941	0.5
70.06572	1.2
70.26260	0.9
70.26656	0.6
71.04987	1.0
71.08625	11.1
72.18073	0.3
79.05467	1.9
80.05000	1.7
81.03400	0.7
81.07045	7.2
82.06580	1.8
83.04967	1.0
83.08583	0.7
84.04518	1.6
85.02889	1.5
85.10173	5.8
86.06059	1.6
87.04459	1.0
88.07611	1.1
90.99442	0.4
91.05466	0.9
93.07034	1.2
93.19532	0.4
94.06559	1.7
95.04962	1.0
95.07990	0.5
95.08593	8.7
96.04497	2.0
96.08122	1.2
97.06524	0.5
98.06038	2.8
98.20776	0.6
99.04450	0.6
100.07593	0.6
105.03416	0.5
105.07040	0.5
106.06530	2.2
107.04942	1.3
107.08525	0.4
108.04521	0.4
108.08102	0.7
109.06515	0.4
110.06030	2.3
111.04460	0.6
112.07579	2.5
114.05553	0.9
118.06533	1.3
120.08120	0.6
122.06020	1.6
122.09708	0.5
123.08060	0.4
124.03928	2.2
124.07585	4.5
126.05530	1.0
130.08641	0.9
132.06593	0.6
132.08072	1.4
134.05983	1.8
136.03964	0.5
136.07556	2.7
137.05971	0.4
137.13214	0.8
138.05478	0.7
140.07079	1.3
148.03926	0.7
148.07585	2.1
150.05569	0.5
150.09184	0.5
152.03409	10.3
152.07045	8.1
153.05464	2.1
153.07323	0.4
154.08615	0.6
155.14284	2.2
158.08264	0.5
160.07535	1.7
162.05542	0.7
164.07060	0.7
166.04958	0.4
166.08611	1.4
168.10237	0.4
170.04483	1.1
170.08134	2.4
171.35593	0.4
178.08620	1.1
180.06544	1.1
184.09816	0.5
188.09218	0.9
194.18982	0.4
196.09668	10.7
198.07635	0.6
198.18594	0.7
203.09293	0.4
214.10712	10.4
216.08641	5.9
217.08171	0.8
222.18398	0.5
232.11769	11.1
232.14009	0.6
233.11870	0.4
240.19618	1.1
250.18050	0.8
268.19025	1.3
278.17474	17.9
279.17905	0.9
280.19138	0.6
287.71231	0.3
288.19647	0.5
306.20569	4.2
314.21265	0.3
324.21774	1.0
350.23407	0.8
368.20093	2.5
368.24777	2.5
386.25430	100.0
387.22177	0.3
387.25827	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	386.1592
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
51.75106	0.3
54.03454	0.8
55.04239	0.5
55.05487	0.4
56.70311	0.4
57.03415	0.5
57.07053	0.4
58.06577	0.6
65.03945	0.4
67.05499	2.1
68.99790	0.8
69.03416	1.2
70.06576	100.0
71.06274	0.4
71.06904	1.9
71.70666	0.5
76.05849	0.3
79.05494	0.9
79.05932	0.3
81.03403	0.8
81.07037	0.8
83.04994	0.4
85.02879	1.6
85.06522	1.1
91.05473	1.1
93.07034	1.6
95.04963	1.1
95.08589	10.3
97.02877	1.0
99.04446	0.5
103.05438	0.7
105.03336	0.7
105.07018	0.8
107.04940	1.4
107.08582	1.3
109.06512	0.6
109.10168	0.6
113.05972	1.2
119.04891	1.7
119.08559	1.7
121.06505	1.9
121.10129	0.5
123.04404	11.6
123.08044	3.6
125.09633	0.4
125.22684	0.3
127.03918	0.4
131.04967	0.6
133.10100	0.4
135.04401	2.0
135.07947	0.5
135.11676	1.2
137.05905	0.5
143.04869	0.5
147.04376	8.6
147.11678	0.6
149.05936	4.1
149.09602	3.1
151.07510	1.7
159.04364	1.0
161.05956	0.7
161.13231	1.3
163.03880	1.1
163.11168	1.1
164.48892	0.3
165.05457	4.3
165.12715	0.8
167.21785	0.4
171.04393	2.1
175.07518	0.7
177.05432	56.3
178.05769	2.0
189.05434	2.3
189.12703	2.0
192.44986	0.4
207.06450	1.7
207.13765	7.3
216.53377	0.3
225.14810	1.2
234.11232	3.6
311.08984	0.8
329.10135	10.6
330.10611	0.5
386.15900	56.0
387.16132	4.2
387.20303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.159
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
55.04253	0.5
58.06585	0.4
68.99773	0.8
69.53758	4.8
70.06579	100.0
71.06901	1.6
79.05470	0.6
81.03412	0.6
85.02892	1.0
86.09701	0.5
91.05448	1.2
93.07029	1.0
102.29031	0.4
107.04927	1.2
109.06503	0.5
119.04931	2.0
121.06490	1.4
123.04411	10.8
123.76737	0.5
124.04766	0.5
135.04420	1.7
147.04391	7.2
148.04822	0.7
149.05946	5.1
159.04337	1.1
161.05963	0.6
163.03951	1.0
163.11168	0.6
165.05435	4.1
165.09093	0.6
175.07550	0.6
177.05438	57.1
178.05817	1.7
183.22511	0.4
206.11632	0.5
207.06522	1.5
207.13815	1.2
212.63152	0.4
225.14886	0.7
226.14224	0.5
234.11292	3.2
248.59138	0.5
329.10138	11.3
380.28201	0.5
386.15912	54.8
387.16562	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	385.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.7
55.05496	2.2
56.05028	7.1
57.03436	0.8
57.07056	2.5
58.20249	0.6
67.05482	2.1
68.05017	5.9
69.07046	2.4
71.08607	2.7
72.04501	1.4
79.05475	1.5
79.65443	0.6
79.66798	0.6
80.05006	1.0
81.07037	3.2
82.02918	1.1
83.04961	1.4
83.08561	1.0
84.04501	0.9
86.06052	0.9
91.05454	2.2
93.07024	2.1
95.04934	0.9
95.08592	2.6
97.10141	0.6
102.21261	0.6
103.05464	0.6
105.03349	0.6
105.07040	1.2
107.08557	1.5
109.06457	0.6
109.10133	1.0
112.03931	1.7
115.05436	2.1
117.05768	0.6
117.07013	3.3
118.06530	38.8
119.06858	1.3
119.08579	1.4
121.10122	1.0
121.39202	0.7
123.25363	0.6
130.06512	36.7
131.06839	1.6
131.08562	0.7
132.08073	5.1
135.11600	0.9
140.10658	0.8
142.06496	4.4
143.07281	3.9
143.08405	0.8
144.04459	0.8
144.08075	25.0
145.06386	0.9
146.05989	83.4
147.06342	2.1
147.11688	0.9
154.15915	2.6
156.03474	0.7
159.09126	5.0
160.07640	0.8
163.11258	0.6
167.07281	0.8
168.08083	2.0
168.17392	0.9
170.06004	14.8
170.18997	3.2
182.18985	1.0
188.07045	72.3
189.07436	3.7
194.19025	7.4
196.16953	1.2
198.18509	38.0
199.18860	1.3
203.42140	0.7
210.18515	8.3
212.16345	0.9
213.12599	0.8
220.16927	0.9
228.19513	4.3
238.17982	2.8
254.17421	1.3
256.19052	24.4
257.19446	1.4
277.13855	1.7
279.89163	0.7
290.91202	0.7
294.22083	0.9
295.21933	1.0
321.23340	1.6
323.24902	0.9
339.24271	1.9
341.22202	2.8
357.25571	1.1
367.23465	4.0
385.24780	100.0
386.25186	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	385.2729
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
55.05493	3.9
57.03429	1.2
57.07064	17.6
59.04984	2.4
67.05505	7.6
67.74237	1.2
69.07048	5.5
71.08624	19.8
79.05473	2.9
81.07035	14.4
83.08597	3.2
85.10162	12.6
88.64270	1.3
91.05450	4.9
93.07030	3.0
95.04926	2.2
95.08579	16.7
98.20619	2.3
105.07014	2.6
107.08563	2.5
109.06483	1.5
109.10123	3.0
115.05479	1.6
117.06976	2.3
119.08534	7.1
121.10104	6.8
128.06201	5.9
129.06975	11.9
131.08536	3.6
137.13243	1.6
141.06972	8.9
142.07770	3.5
143.04938	2.3
143.08521	14.1
145.06410	2.9
145.10092	3.5
147.08002	1.8
153.06953	3.1
154.07732	7.1
155.08540	10.1
155.14308	6.8
156.09314	5.1
157.06454	3.3
157.10138	8.0
159.11621	2.0
165.07080	1.7
167.08519	4.6
168.09294	2.2
169.10098	42.1
170.10831	3.5
171.08011	4.5
171.11673	14.9
173.05942	6.7
180.09236	1.7
181.10167	3.3
183.08018	1.7
183.11700	3.5
185.09673	2.7
185.13237	12.9
187.07564	1.2
195.08003	2.1
195.11667	8.6
197.09538	11.5
197.13271	2.5
198.10158	1.7
199.07523	1.7
199.11243	1.7
209.13164	2.2
212.11839	1.9
213.09366	2.6
213.12714	30.6
215.10684	10.3
224.99188	1.2
225.09099	16.1
229.08614	2.2
240.11400	11.5
241.12167	2.9
297.21600	1.8
310.60892	1.2
321.25720	2.9
323.26923	2.0
329.21103	5.4
339.23251	1.9
339.26733	14.0
340.27454	1.6
341.28262	4.1
343.22513	2.6
349.25165	3.4
367.26260	100.0
368.26544	6.8
385.27280	25.4
386.27679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01860	0.9
55.05494	2.8
55.95874	0.3
56.05013	1.1
57.03414	0.5
57.06794	0.5
57.07065	10.6
59.04963	0.6
65.03919	0.9
67.05173	0.5
67.05494	6.7
68.05004	1.1
69.03399	0.5
69.07050	2.4
70.02943	0.7
70.06561	1.7
71.08620	5.2
71.54514	0.6
71.54861	0.5
72.04476	0.7
72.49113	0.5
72.83707	0.4
79.05480	3.3
80.04991	1.1
81.07030	4.9
82.02915	0.4
82.06559	4.6
83.04926	0.6
83.08590	1.7
84.04488	31.2
85.02879	3.4
85.04810	0.6
85.10171	3.2
86.06048	0.5
87.04436	1.0
91.05457	2.5
92.04947	0.7
93.03392	0.5
93.07037	2.3
94.06531	1.6
95.04955	1.6
95.08583	5.1
97.06516	0.4
97.10173	0.4
98.02359	0.4
102.05529	3.7
105.03407	0.4
105.07017	1.7
106.06567	1.0
107.04935	0.9
107.08571	1.2
108.04430	0.4
108.08069	0.5
109.10133	2.7
110.06018	5.8
111.04469	0.5
113.00589	0.5
114.05497	2.0
117.06984	1.1
119.08562	1.2
120.04475	1.3
120.08086	4.2
120.78802	0.4
121.02833	0.5
121.06502	0.9
121.10118	1.6
122.06004	2.8
124.03912	0.5
128.03366	0.6
128.07059	2.1
130.04999	2.2
131.08539	1.6
133.10112	0.5
134.05952	1.2
135.11674	0.7
135.29839	0.4
136.07619	0.5
138.05472	12.6
138.06551	0.6
139.03943	0.4
139.05814	0.5
142.04962	1.1
145.10025	1.0
146.09576	0.4
147.11594	0.4
148.07550	3.4
150.05476	1.7
152.07013	0.4
156.06511	4.5
166.05054	0.7
166.08618	0.8
168.06569	2.4
176.07043	1.5
180.06473	0.9
183.17598	0.4
184.06017	9.9
193.04971	0.5
194.08078	3.6
196.06003	1.4
201.16348	1.0
202.07059	9.5
207.08310	0.3
214.07101	1.7
219.17255	0.6
222.07602	0.9
230.04753	0.6
234.18474	1.1
236.20195	0.7
237.18523	0.4
240.08560	2.1
254.21136	0.9
274.21609	4.2
292.22668	1.2
302.21155	2.9
320.22153	3.2
338.23383	2.2
348.21817	1.9
348.25494	0.4
366.22672	7.3
383.80414	0.9
384.23718	100.0
385.09042	0.9
385.24036	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89233	0.6
55.05494	2.5
57.07073	6.2
65.03920	1.3
67.05502	3.1
69.03423	1.1
69.07049	1.2
70.06581	0.7
71.08272	0.9
71.08624	8.2
72.08134	1.1
79.05457	1.9
81.07034	7.8
82.06552	2.6
83.08609	1.1
85.06477	0.9
85.10172	4.8
85.67180	0.6
86.09676	2.1
87.78942	0.6
90.46643	0.7
91.05463	7.2
93.07000	2.6
94.06565	1.3
95.04948	1.3
95.08585	7.8
96.08123	10.1
96.08744	1.0
96.08954	0.5
105.03345	1.6
105.06999	2.0
107.08595	1.5
111.04416	0.7
112.11182	1.3
112.50181	0.7
113.11589	0.7
115.78500	0.7
117.06982	0.9
119.08582	1.3
121.02843	23.5
122.10445	0.7
123.08026	0.8
124.07574	34.9
125.00040	0.7
131.08589	1.1
133.10080	1.3
136.07594	1.2
142.08627	8.4
145.10130	0.9
149.04251	0.6
151.07571	1.4
152.07025	2.2
155.14265	2.1
158.05986	1.0
159.11688	1.1
170.08101	25.8
197.15442	0.8
198.07649	3.4
217.04977	0.9
220.07571	2.0
221.15390	0.7
229.15372	1.0
230.10170	2.9
238.08595	100.0
267.25174	0.9
278.20956	1.0
285.09933	1.1
293.08142	1.1
295.24533	1.0
306.20316	0.7
317.17767	1.5
324.21643	72.5
325.21997	3.8
384.23611	2.6
385.16071	1.6
385.23792	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92963	1.1
53.03939	1.4
55.05501	7.5
57.03429	2.3
57.07058	1.1
61.02913	2.7
64.20853	1.1
67.05496	28.1
69.03407	3.6
69.07056	2.0
70.06581	24.2
71.04971	1.9
71.06879	1.2
71.29707	1.2
71.30042	2.4
73.02922	1.2
79.05481	3.0
81.03407	3.1
81.07044	62.6
83.08615	2.7
83.50878	1.2
85.02897	12.7
91.05452	2.8
93.07021	1.7
95.04964	1.9
95.08621	1.5
97.02876	2.6
97.10172	2.6
99.04425	1.2
105.07000	1.2
107.04948	1.4
109.02865	2.5
111.04424	1.3
119.04959	2.9
119.08548	1.4
121.02911	1.3
121.06490	4.1
123.08086	1.8
123.11688	71.6
127.03850	1.9
141.12721	100.0
142.48111	1.1
145.04967	1.8
147.04375	10.3
148.04675	1.2
149.05896	1.8
149.09569	1.8
163.11226	2.8
167.07014	2.6
177.05487	8.3
187.13271	58.2
193.04929	4.5
201.05475	1.5
205.12253	4.3
205.14334	10.4
206.08119	5.2
223.13249	3.2
299.05399	3.3
300.05750	10.5
307.05969	1.4
327.08615	3.7
337.06863	1.7
367.08298	2.2
384.14166	11.4
385.13092	2.2
385.18436	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
57.03415	1.6
61.02913	1.9
65.51070	1.2
69.03426	7.5
70.05560	6.5
70.05971	2.3
70.54807	1.2
71.04978	3.2
73.02898	1.9
79.26548	1.1
81.03400	10.3
85.02887	68.2
97.02871	16.3
99.04432	32.4
99.64600	1.2
100.04786	1.5
100.77703	1.2
103.03923	97.6
104.04266	1.8
109.02864	13.6
127.03889	100.0
128.04253	2.2
141.24414	1.1
145.04933	63.7
163.05988	61.7
163.30235	1.4
164.06346	1.7
184.12541	1.2
187.06024	4.1
202.68349	1.1
205.07071	2.2
230.09921	1.2
271.08099	9.2
287.23895	1.3
289.09036	8.0
307.10147	12.7
349.14905	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	384.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.6
55.01861	1.4
57.03414	3.0
61.02913	1.9
69.03416	11.8
69.07018	1.0
70.06577	9.6
70.26414	4.5
71.04973	3.3
73.02894	3.1
79.03224	1.0
81.02986	1.2
81.03407	12.6
83.04957	1.9
85.02889	70.9
86.09671	1.1
91.03949	1.0
91.05478	4.5
97.02875	22.0
98.21409	1.2
99.04435	40.4
103.03922	92.2
104.04253	1.2
109.02862	16.8
115.03938	1.2
119.04951	2.4
127.03892	100.0
128.04268	1.7
130.06514	3.8
131.08578	0.8
132.04373	1.0
134.63286	1.0
136.07544	7.8
137.05946	1.0
145.04935	59.5
147.04369	1.0
149.05901	1.0
154.19923	0.9
157.07573	1.6
158.05978	2.6
159.09131	1.3
163.05991	60.7
169.05017	0.9
175.08635	3.9
176.09129	0.9
177.05472	2.1
178.02611	1.1
187.05997	4.9
193.04846	2.1
205.07050	2.9
206.04399	1.0
221.09142	6.7
238.05301	3.0
253.07051	2.1
271.08066	8.5
275.79126	0.9
284.50858	1.0
287.74539	0.9
289.09143	6.9
307.10199	13.3
311.25034	1.0
349.14911	3.5
384.14163	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	384.1145
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
54.06767	0.3
55.01836	1.4
57.03426	1.9
59.63034	0.4
61.83718	0.4
67.03921	0.3
69.03425	1.8
70.06560	0.6
71.01325	1.0
71.49429	0.9
73.02896	0.9
79.23763	0.4
85.02877	1.3
97.02869	0.8
99.00791	0.5
115.03901	0.7
119.03516	0.6
119.04867	0.4
121.05045	1.2
121.48857	0.3
135.06627	1.6
136.06166	19.1
137.04573	0.9
138.05455	1.0
148.06160	6.1
151.03868	1.4
160.06161	0.6
162.07733	32.9
163.03848	1.4
163.08078	0.9
178.02602	0.4
183.17131	0.4
188.05653	13.4
192.05139	17.4
193.04985	1.5
206.06714	7.1
216.05145	0.6
234.06194	10.6
252.07248	100.0
253.07579	2.8
384.11459	27.5
385.11783	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
57.03429	2.0
59.04995	1.2
61.02913	2.1
69.03431	8.5
70.58218	3.7
71.04974	3.4
73.02891	2.2
81.03400	10.6
81.07046	3.1
83.70758	1.1
85.02886	67.2
87.04464	2.4
97.02876	19.8
99.04436	35.2
103.03921	96.4
107.86523	1.0
109.02846	13.2
127.03889	100.0
128.04247	1.9
141.12704	1.4
143.10660	1.6
145.04926	57.0
147.04382	1.4
163.05988	57.2
187.06013	4.3
187.13269	3.0
192.42654	1.1
193.04808	1.5
205.07034	3.4
271.08087	5.9
271.43668	1.2
289.09125	9.4
289.73148	1.1
307.10205	10.4
310.92841	1.2
349.14786	5.3
385.14432	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.5
55.01867	7.9
55.05494	20.5
57.03423	9.7
57.07064	81.4
59.04989	8.9
67.05485	50.3
69.03409	9.1
69.07067	27.7
71.00491	15.9
71.04991	26.2
71.08620	100.0
75.04469	9.8
79.05488	38.2
81.07045	72.9
83.08606	10.4
85.02897	35.1
85.06528	7.1
85.10173	51.8
89.59619	5.0
91.05466	50.9
93.07020	42.7
94.89378	5.7
95.04935	36.1
95.08596	77.8
97.06522	12.4
105.06998	50.7
107.04927	6.0
107.08564	34.9
109.06486	29.4
109.10154	14.6
117.06986	38.1
119.08539	17.0
121.06500	12.4
121.10148	13.7
123.08050	12.9
123.11742	6.8
129.07021	8.0
131.08507	24.1
133.06450	8.0
133.10139	11.9
135.08055	29.6
135.11653	16.0
137.06009	5.3
137.13252	10.0
145.06393	5.0
145.10060	9.5
149.09581	23.7
150.09935	11.3
155.14294	61.5
157.10080	6.0
159.11670	17.8
161.09506	4.9
173.09644	5.5
177.09058	15.2
177.12724	22.3
195.13766	9.2
211.16942	11.1
261.22064	82.7
262.22403	7.3
263.19965	6.9
279.23306	24.6
290.22424	13.0
331.26309	14.8
333.24008	5.9
349.27405	15.8
365.26654	6.2
383.23196	6.3
383.28976	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73726	3.5
53.03947	6.2
53.26514	2.7
55.01859	3.7
55.05492	19.4
57.07071	18.5
59.04995	8.6
65.03905	3.0
67.05498	44.5
69.03416	14.7
69.07055	15.4
71.04980	10.0
71.08612	10.6
71.81777	5.2
79.05482	35.0
81.03416	3.6
81.07046	38.4
85.06521	9.2
85.10143	4.2
86.09680	7.7
91.05466	48.9
93.07027	100.0
95.04945	28.0
95.08591	48.6
97.06519	18.0
105.07008	87.9
107.04914	4.3
107.08573	46.5
109.06508	25.9
109.10154	37.7
111.08076	17.0
112.11200	4.4
117.07025	10.6
119.08556	54.2
120.09392	3.7
121.06474	14.0
121.10114	44.8
123.08059	30.6
123.11754	5.8
128.06187	8.6
129.07002	12.3
130.07748	6.1
131.08571	27.6
133.06506	11.1
133.10100	36.4
135.08038	22.5
135.11674	8.6
137.05945	4.0
137.09584	16.6
142.07735	24.7
143.08536	24.6
144.09346	7.3
145.06465	7.1
145.10103	36.1
146.10471	3.6
147.08040	25.2
147.11646	19.7
148.08772	4.7
149.09618	29.3
151.07509	36.3
151.90115	3.7
155.08516	10.6
156.09319	7.4
157.10086	41.7
158.05971	6.4
159.08035	5.6
159.11700	22.8
160.08846	3.9
161.09576	21.9
161.13290	7.7
163.11205	7.8
165.09084	37.3
166.20444	3.4
169.10143	7.1
170.10866	6.9
171.11694	13.9
173.09599	14.7
173.13248	8.7
175.11134	23.6
175.14818	7.3
177.09084	14.9
183.11658	11.0
185.13232	19.1
187.11159	11.6
187.14763	7.0
189.12741	11.0
191.14211	3.8
195.11742	6.3
197.13223	10.7
199.11194	6.3
201.10217	12.2
201.12651	11.4
203.14294	31.0
207.11807	4.8
207.13780	14.9
209.13177	7.3
209.15182	5.4
213.12613	4.6
215.14366	4.3
219.13751	5.6
221.13322	3.8
221.15321	91.4
227.14311	10.0
233.15355	6.0
234.16161	15.4
237.16544	3.9
239.18066	4.0
251.10425	5.6
255.17383	3.6
266.24805	15.6
281.19022	7.5
286.18976	4.3
287.20117	10.3
299.19977	6.5
303.19562	10.2
345.82190	3.7
347.23642	6.5
351.05078	4.8
365.24680	16.2
383.25806	90.7
383.29565	5.3
384.26218	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	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.9
55.01856	3.6
55.05499	18.8
57.03412	3.7
57.07067	14.6
59.04980	5.9
65.03919	3.0
67.05492	31.6
69.03420	18.3
69.07066	13.9
70.09933	4.7
70.10374	6.4
71.04988	9.7
71.08630	3.9
79.05479	33.5
81.03377	1.9
81.07043	38.8
83.04960	10.4
83.08588	5.0
84.08130	2.2
85.06532	6.8
85.10180	2.5
91.05463	44.1
93.07027	99.4
94.07343	2.9
94.98308	1.7
95.04945	36.0
95.08594	47.6
97.06510	13.9
99.08134	2.1
103.05443	2.8
105.03368	4.9
105.07011	86.5
106.07767	2.3
107.04945	4.4
107.08569	51.4
109.06503	26.5
109.10130	24.3
111.08060	8.7
112.11232	2.1
115.05437	3.6
116.06216	4.1
117.07027	13.3
119.08555	54.9
120.09393	3.1
121.06472	17.9
121.10126	54.8
123.08050	31.8
123.11645	3.0
125.06029	2.0
128.06140	9.6
129.06964	14.6
130.07756	5.8
131.08543	35.0
133.06480	11.1
133.10103	30.2
135.08035	27.3
135.11641	5.2
137.05963	2.2
137.09578	13.4
141.06926	4.8
142.07744	21.6
143.08553	27.3
144.09341	7.2
145.06429	5.6
145.10086	41.9
146.10616	2.4
147.08031	25.6
147.11644	16.9
148.08781	3.7
149.09587	33.6
150.10236	2.0
151.07526	36.5
153.09068	2.2
155.08583	7.1
156.09338	7.9
157.10121	40.6
159.08066	11.6
159.11649	16.1
160.08800	4.3
161.09604	22.4
161.13229	5.1
163.07457	2.7
163.11177	7.4
165.09097	39.0
166.09380	2.1
167.10704	3.2
168.09361	2.9
169.10123	8.5
170.10916	7.6
171.07968	2.1
171.11644	11.9
172.08755	2.8
173.05931	2.1
173.09596	12.6
173.13261	8.4
174.10309	2.1
175.11168	20.6
175.14801	10.3
177.09103	14.2
178.09863	5.0
179.08423	2.0
181.10083	4.6
183.11696	7.1
185.09636	5.6
185.13223	16.5
187.11171	6.5
187.14709	4.4
189.12735	14.5
191.10765	2.4
191.14339	5.1
193.10126	2.1
194.10870	2.5
195.11685	5.7
196.12483	2.5
197.09511	2.3
197.13297	7.0
199.11189	5.1
199.14801	5.3
201.05565	2.7
201.12660	11.8
203.14284	32.9
204.75624	2.2
206.10786	2.4
207.11862	3.0
207.13791	12.4
208.12439	2.1
209.13246	7.2
209.15392	6.8
211.14746	4.6
213.12643	6.7
215.14296	8.3
219.13713	9.5
221.15323	100.0
223.14838	2.7
225.12733	3.4
225.16319	3.1
227.14279	8.1
229.04991	6.0
229.15775	2.0
231.13768	3.7
233.15370	8.3
234.16110	22.8
237.14774	3.8
239.17921	3.1
249.16368	2.5
269.19080	2.3
271.16861	2.7
281.18958	5.7
286.19327	5.1
287.20026	8.8
299.20081	7.9
301.20172	2.5
303.19379	9.1
309.18405	2.9
327.19519	2.3
347.23547	3.5
365.24707	15.3
383.18652	11.4
383.25757	95.5
384.26068	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03939	6.5
55.01839	3.6
55.05502	15.5
57.03432	3.2
57.07064	13.3
59.04988	7.2
64.41748	1.9
65.59875	1.7
67.05496	29.2
69.03420	15.8
69.07060	12.0
69.62593	16.2
71.04980	7.9
71.08630	4.3
77.03889	1.9
79.05476	30.3
79.05929	3.1
80.06235	2.2
81.03375	2.5
81.07044	39.8
82.07378	1.4
83.04957	8.5
83.08603	4.9
84.08131	1.6
85.06537	6.2
90.07690	1.9
91.05466	51.5
93.07030	97.8
95.04955	32.1
95.08595	40.2
97.06506	15.0
103.05437	2.5
105.03368	3.8
105.04475	2.4
105.07017	83.2
107.04941	3.8
107.08570	47.5
109.06503	28.2
109.10140	21.1
111.08060	10.0
115.05453	3.7
116.06260	2.4
117.07007	15.0
119.04922	3.0
119.08568	55.7
120.09370	4.3
121.06495	14.7
121.09246	2.8
121.10123	55.3
122.07285	3.6
123.08060	29.5
125.09573	2.9
128.06187	8.2
129.06987	12.4
130.07767	4.1
131.08548	40.8
131.09537	2.0
133.06458	10.2
133.10112	34.6
135.08032	30.4
135.11702	5.7
136.88774	1.5
137.05922	3.0
137.09596	12.4
141.06995	6.3
142.07753	19.0
142.08696	1.9
143.08551	24.2
144.09296	6.2
145.06459	5.1
145.10095	37.8
146.07239	2.0
147.08015	29.2
147.11661	20.4
148.08846	3.1
149.09593	26.6
150.10318	2.8
151.07518	35.7
155.08539	7.7
156.09308	10.8
157.10110	43.8
158.10889	3.0
159.08017	9.8
159.11627	14.6
160.08818	2.4
161.09602	21.8
161.13239	7.1
163.11142	7.8
165.07045	3.3
165.09099	42.3
167.08560	3.8
167.10611	2.2
168.09309	3.2
169.10133	3.9
170.10899	4.7
171.11671	10.0
172.08716	1.8
173.09618	11.0
173.13264	9.4
174.10320	2.7
175.11177	18.3
175.14758	8.6
177.09053	10.8
178.09883	4.7
179.08638	3.1
179.10548	2.5
180.09218	2.5
181.10109	3.8
182.10880	4.0
183.04382	1.8
183.11674	7.5
185.09502	4.1
185.13216	18.0
186.10352	2.6
187.11145	8.2
187.14735	2.7
189.09131	2.6
189.12695	9.8
191.14375	4.6
193.10124	3.8
194.10774	2.3
195.11757	3.9
196.12398	2.0
197.13271	7.1
199.11221	2.0
199.14861	4.0
201.05310	3.3
201.12756	12.3
203.14278	28.7
207.11891	2.5
207.13707	15.4
208.12448	1.8
209.13280	6.7
209.15366	5.4
210.14040	2.4
211.11034	1.7
211.14966	4.6
213.12671	4.1
215.10756	1.9
215.14183	10.8
216.15114	4.7
216.22908	1.7
219.13712	8.8
221.15329	92.0
222.15771	2.8
223.14825	1.9
225.12665	3.4
225.16386	3.0
227.14305	8.3
229.04939	3.6
231.13820	4.7
233.15364	5.8
234.16096	18.9
237.14621	2.8
239.14275	2.8
239.17915	1.8
241.15906	2.0
243.13770	2.6
249.16388	2.0
251.14310	1.7
253.15918	1.9
255.17404	2.8
265.15909	2.9
266.24936	2.3
269.18933	2.2
271.16711	2.7
281.19052	4.9
282.19632	2.3
286.19086	3.9
287.20004	9.7
299.20166	5.3
303.19443	11.4
309.18472	5.4
347.23691	3.5
365.24631	16.5
383.18835	11.4
383.25784	100.0
384.15503	2.2
384.26056	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.3
55.05504	0.8
57.07043	0.5
67.05465	0.4
68.05014	0.1
69.07053	4.6
70.07353	0.1
70.08884	0.4
70.09300	0.3
81.04483	0.2
81.07033	0.3
83.08577	0.1
91.05421	0.1
94.05296	0.4
94.06542	0.7
94.61271	0.1
95.04918	0.4
95.06069	3.6
98.21404	0.2
105.03368	5.9
106.03698	0.2
107.06060	4.1
108.08045	0.1
109.10128	0.3
111.05553	0.4
111.11681	0.2
119.06017	0.2
121.07599	2.2
130.06480	0.4
132.04413	0.1
133.05144	0.3
135.05511	0.2
135.09137	2.2
143.07285	0.4
146.05992	0.6
149.10718	1.3
154.06387	0.2
156.08067	0.3
158.05981	0.3
159.06693	0.1
163.12289	0.6
168.08136	0.1
169.07561	0.7
169.08795	0.2
170.08342	0.6
171.09138	0.2
180.08070	0.2
181.07565	1.7
182.05998	0.2
182.08354	3.3
183.08810	0.2
184.06129	0.2
184.07549	0.3
185.07037	0.5
195.09128	1.5
196.07617	0.2
196.09758	0.1
197.07043	0.2
198.07800	1.2
199.08592	0.6
200.20871	0.1
205.16957	3.1
206.17317	0.2
207.09219	0.1
208.09865	0.4
209.10561	0.3
211.08652	0.5
221.10751	0.2
223.12221	0.1
225.10146	0.8
233.16415	0.4
235.12260	0.1
236.79126	0.1
239.11775	0.3
283.21765	0.2
293.20078	2.2
294.20447	0.1
311.21106	30.5
312.21411	2.8
321.23297	0.2
337.22745	0.4
341.17807	0.1
347.21158	0.2
365.22021	0.2
383.23196	100.0
384.23517	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	383.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.2
55.05505	0.6
57.07065	0.4
67.05499	0.5
68.05007	0.2
69.07053	3.0
69.84953	0.7
71.08609	0.1
79.05480	0.2
80.04985	0.4
81.04503	0.2
81.07009	0.3
82.06538	0.2
84.73805	0.1
84.75578	0.1
92.05006	0.1
93.05759	0.2
93.07018	0.2
94.05278	0.4
94.06551	0.8
95.04922	0.2
95.06067	2.7
95.08584	0.2
97.03999	0.1
100.07546	0.1
105.03368	3.7
106.03689	0.1
106.06535	0.2
107.06052	2.5
108.08086	0.2
109.10139	0.1
111.05523	0.3
118.06519	0.1
120.04427	0.1
120.06777	0.2
120.08073	0.2
121.07605	1.8
130.06479	0.4
132.04417	0.5
134.08295	0.1
135.05530	0.1
135.09140	1.6
144.07988	0.1
146.05966	0.4
147.05478	0.2
149.10722	0.9
151.08005	0.1
154.06339	0.1
158.05977	0.4
159.06718	0.2
160.07521	0.2
163.12277	0.4
168.08017	0.2
169.07582	0.8
170.05951	0.3
170.08322	0.2
172.07542	0.4
181.07535	0.2
182.05983	0.3
182.08365	0.5
183.06735	0.2
183.09087	0.1
184.06184	1.0
184.07617	0.3
185.07053	1.1
186.09189	0.1
190.15828	0.3
195.09108	1.1
196.07559	0.2
197.07001	0.7
198.07787	1.2
198.09126	0.1
199.08600	0.5
205.16962	2.3
206.17198	0.1
206.18948	0.1
207.09192	0.2
208.09782	0.2
209.10710	0.2
210.09122	0.1
211.08652	0.4
225.10187	3.5
226.10609	0.2
233.16502	0.2
239.11729	0.2
256.20563	0.3
270.09927	0.4
271.10910	0.1
283.10654	0.5
283.21762	0.2
284.20096	0.6
296.19965	0.2
300.59961	0.1
310.20474	0.1
311.21106	11.9
312.21555	0.9
321.23221	0.1
337.22729	0.2
383.23193	100.0
384.23529	8.9
391.32764	0.1
400.88498	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	383.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.2
55.05494	1.0
57.07030	0.4
67.05460	0.5
68.04985	0.3
69.07055	4.5
69.76244	0.1
71.18649	0.3
79.05447	0.3
80.04946	0.2
81.04529	0.2
81.07033	0.2
85.97581	0.2
93.07053	0.2
94.05266	0.4
94.06528	0.3
95.04919	0.3
95.06073	3.7
95.08551	0.2
105.03374	5.8
107.06054	3.2
107.08531	0.2
108.06851	0.2
108.08042	0.2
109.10107	0.2
111.05511	0.4
111.11663	0.2
111.86249	0.1
121.07611	2.5
121.81670	0.1
130.06433	0.5
130.07312	0.1
132.08018	0.2
133.05174	0.3
133.07585	0.1
135.08215	0.2
135.09160	1.9
142.06505	0.2
143.07208	0.4
146.06003	0.7
149.10715	1.3
154.06503	0.2
156.08054	0.3
158.05960	0.5
159.06715	0.5
163.12268	0.5
168.08142	0.2
169.07578	0.5
170.08296	0.5
181.07550	0.6
182.05962	0.3
182.08359	2.2
184.06075	0.1
184.07516	0.6
185.07028	0.6
195.09151	0.9
196.07610	0.2
196.09818	0.1
197.07103	0.3
198.07776	1.0
199.08665	0.7
205.16960	2.7
208.09811	0.2
209.10716	0.3
210.09064	0.3
211.08618	0.4
225.10190	1.0
226.10770	0.3
233.16467	0.3
239.11752	0.4
253.13266	0.3
283.21756	0.2
311.21106	25.5
312.21429	2.1
321.23309	0.1
327.87158	0.1
337.22879	0.7
379.62317	0.1
383.23203	100.0
384.23553	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	383.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.05492	0.6
57.07068	0.3
67.05494	0.4
68.05003	0.3
69.07056	3.4
69.63382	0.6
69.63807	0.6
79.05479	0.2
80.05019	0.3
81.04518	0.2
81.07038	0.3
82.06543	0.2
91.05461	0.2
92.05007	0.2
93.05731	0.2
93.07014	0.2
94.05298	0.3
94.06573	0.7
95.04976	0.2
95.06074	3.0
95.08548	0.3
103.05474	0.2
105.03372	4.5
107.06046	2.6
108.08103	0.2
111.05546	0.2
118.06538	0.2
121.06499	0.7
121.07609	1.6
129.16051	0.1
130.06502	0.3
132.04434	0.2
135.09143	1.5
135.11510	0.2
144.08067	0.2
146.06006	0.3
147.05513	0.2
149.10725	1.2
158.06044	0.3
158.28886	0.1
159.06757	0.3
163.12282	0.4
168.08089	0.1
169.07585	0.8
170.05963	0.3
172.07469	0.3
181.07495	0.3
182.05940	0.3
182.08385	0.8
183.06778	0.2
184.06192	0.9
184.07697	0.3
185.07097	1.3
190.15862	0.3
195.09164	1.3
196.07474	0.2
197.07069	0.4
198.07793	1.2
199.08643	0.4
205.16974	2.4
211.08630	0.2
212.09332	0.2
225.10191	2.7
226.10699	0.2
233.16537	0.2
239.11742	0.2
256.20712	0.3
270.10025	0.3
273.07904	0.1
283.10770	0.1
283.21658	0.2
284.20078	0.2
294.20905	0.2
296.20035	0.2
310.20389	0.1
311.21118	16.3
312.21527	1.5
358.44095	0.2
383.23212	100.0
384.23593	10.5
407.15414	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	382.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57639	0.3
53.57130	0.3
55.05500	0.7
56.05019	0.6
57.07061	4.6
63.33786	0.4
67.05489	1.2
69.07050	1.2
70.06585	2.2
71.08620	4.0
72.04497	1.4
74.06078	0.6
81.07050	1.8
82.06559	0.4
85.10171	2.2
88.07615	4.3
94.06567	0.4
95.08582	2.1
98.06025	0.6
100.07638	0.9
102.09146	1.4
105.30633	0.3
107.08590	0.4
108.08105	0.4
126.09108	0.8
137.41975	0.4
184.20518	0.7
199.16882	2.3
206.18973	0.6
212.20035	3.7
212.21727	0.4
224.19992	0.6
226.21648	1.0
228.23174	3.9
242.21121	6.1
322.34528	0.6
338.33987	0.5
364.35803	0.8
382.36740	100.0
383.32782	0.4
383.37149	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	383.2059
Annotation	Cytosporin E
Peak:m/z	Relative Intensity
51.02380	1.3
51.53662	1.4
53.03926	5.7
55.01859	7.8
55.05233	2.2
55.05500	36.6
55.14865	1.4
57.07067	70.5
59.04963	1.4
59.07035	1.6
64.42005	1.4
65.03922	6.8
65.44208	1.4
67.05495	47.0
69.03403	3.5
69.07058	22.1
70.06587	2.6
71.04957	2.9
71.08622	37.0
71.79265	1.4
71.79660	2.4
79.05482	28.9
81.03408	5.8
81.06588	2.8
81.07045	45.0
83.01310	3.8
83.04984	8.7
83.08603	29.3
85.02898	2.3
85.06532	4.1
85.10167	18.3
91.05462	18.7
93.03387	27.7
93.07029	22.5
95.01316	2.2
95.04951	23.1
95.08593	50.5
97.02872	3.1
97.06528	10.8
97.10157	15.1
99.04427	2.3
99.08072	2.0
103.05437	5.3
105.03377	2.3
105.07016	13.7
107.04919	11.5
107.08572	13.9
109.02834	3.7
109.06506	4.0
109.10133	22.6
111.00804	2.2
111.04429	12.4
111.08062	4.4
112.11213	1.8
115.05487	1.7
117.06995	9.4
117.68111	1.5
117.75355	1.6
119.04929	4.2
119.08591	9.2
121.02853	17.4
121.06460	7.5
121.10120	19.3
123.04411	11.6
123.08026	2.6
123.11676	8.0
125.02322	6.0
129.06975	4.1
130.06528	3.8
131.04861	3.5
131.08548	7.1
133.06473	3.4
133.10112	5.8
135.04396	6.5
135.08026	3.8
135.11667	4.3
137.02313	6.6
137.05905	1.6
139.03885	51.6
140.04178	1.8
141.04930	1.6
143.08527	3.6
145.06459	6.3
145.10103	7.3
147.08038	4.1
147.11578	2.1
149.02315	25.7
149.05974	12.1
149.09612	2.5
151.03857	5.0
153.05424	2.3
155.03366	6.6
155.08582	2.0
157.10139	2.5
158.06003	5.2
159.08072	3.5
161.06033	2.5
161.09590	2.2
163.03920	5.1
163.07500	4.1
163.14833	19.4
167.03429	11.8
169.10011	1.6
171.11661	2.4
173.09590	2.1
175.03929	2.4
175.11099	1.6
177.05400	3.6
181.04958	3.3
181.15836	9.2
183.17422	6.9
185.04424	40.9
185.06082	2.0
187.14775	3.4
189.05504	2.4
189.09195	1.8
191.07060	4.2
191.10724	1.8
197.04472	1.7
201.10268	4.7
201.16367	4.4
205.15756	4.0
213.50563	1.6
219.17348	3.4
224.20085	2.1
229.03468	2.0
229.15816	3.3
231.17526	1.7
237.07523	4.2
239.05475	5.6
241.15897	1.9
247.16927	2.6
247.20532	2.3
251.09163	7.9
252.19505	2.2
257.18927	1.9
259.16953	2.6
265.10782	3.0
273.14838	2.5
273.18359	3.8
275.19968	8.4
283.16879	2.5
289.18051	3.3
291.19653	1.9
293.17465	9.0
293.21048	24.4
301.17975	6.2
303.19583	6.5
311.18515	6.3
319.18881	2.6
321.20560	82.3
322.20892	3.4
329.17368	3.1
337.20059	4.2
347.18494	19.7
348.18903	1.9
365.19550	100.0
366.19925	6.3
383.20276	25.0
383.26721	2.7
384.21237	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66415	0.4
53.03930	1.3
54.30501	0.4
55.01836	0.5
55.05500	3.2
56.05023	0.8
56.05861	0.5
57.03435	2.7
57.07071	8.3
58.07383	0.6
67.05172	0.8
67.05499	8.9
68.05829	0.9
69.07055	4.7
71.04986	1.0
71.08624	9.4
71.83002	0.9
72.08940	1.1
77.03919	0.6
79.05483	13.8
80.05013	1.0
80.05841	0.5
81.07043	27.7
82.07381	1.1
83.04955	1.6
83.08590	2.6
85.06516	0.9
85.10170	4.5
86.10491	0.7
87.72123	0.6
89.06048	0.6
91.05470	5.4
93.07027	2.6
94.06544	1.3
95.04949	2.1
95.08591	10.0
96.08172	0.5
96.08923	2.3
97.10162	1.1
103.05464	4.9
105.07014	100.0
106.06611	0.4
106.07346	2.9
107.08578	2.3
108.08096	12.8
108.08808	1.0
109.08935	2.5
109.10106	4.2
117.07018	1.6
120.08098	5.4
121.10146	0.7
122.09643	3.3
123.11682	1.1
129.07001	0.8
130.06561	0.5
131.08446	0.7
134.09656	1.4
135.11644	0.5
136.11198	2.6
137.13263	0.8
143.08499	0.6
144.08025	0.5
145.10115	1.7
146.09645	0.9
149.09573	0.8
155.14316	2.5
156.14621	1.5
158.09529	0.5
160.11255	1.1
183.17442	5.7
184.11209	0.8
184.17760	3.5
198.12840	1.1
199.16888	4.4
200.14316	57.6
200.17319	4.2
201.14615	3.0
209.19055	1.1
210.19331	1.7
211.17000	0.8
212.14305	4.1
212.17183	0.7
226.15823	0.6
228.17426	6.4
235.20421	2.3
260.23532	0.6
261.22147	3.1
263.23676	0.6
302.24765	7.9
303.25183	0.5
382.30994	82.2
383.26196	0.8
383.31235	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	382.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.9
53.03928	3.0
55.05500	1.2
57.03432	0.6
57.07053	1.9
67.05477	2.7
68.05013	0.7
69.07077	3.6
71.08607	1.1
71.81090	1.1
79.05468	1.3
80.04984	0.7
81.03403	14.1
81.07035	2.4
84.04477	0.7
85.02894	4.6
85.06567	0.6
85.10133	0.8
91.05450	1.9
93.07006	1.3
94.83136	0.6
95.04938	1.4
95.08568	2.0
105.03345	1.3
105.06974	1.7
107.04897	0.6
107.08543	1.3
109.02859	53.5
109.10133	0.8
110.03209	1.0
114.05521	1.0
119.08541	1.3
121.06467	0.9
122.06004	0.9
123.04389	1.2
131.08591	0.9
133.10106	0.9
136.07535	0.8
164.22720	0.7
228.08734	1.3
234.16235	0.9
234.18488	5.6
235.16890	100.0
236.17281	4.1
244.58704	0.7
364.21136	14.8
364.25381	1.1
365.21744	1.0
383.22940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
54.66953	0.5
54.79597	0.6
56.37463	0.6
59.90104	0.6
60.01866	0.5
66.95753	0.5
67.05478	1.4
70.06581	0.6
71.08601	0.7
71.78791	1.1
79.05479	23.2
80.04996	2.1
81.07017	0.7
91.05453	1.0
93.07017	2.4
95.04955	2.2
103.05446	68.7
104.05778	1.2
104.84419	0.7
105.03373	1.8
105.07024	4.0
107.04931	31.9
121.02835	4.9
121.06461	2.0
122.06001	4.1
131.04904	27.7
132.05232	1.0
133.06454	1.1
144.81212	0.7
149.05946	2.1
151.03873	1.0
151.07507	0.6
174.17090	0.6
234.18481	35.7
318.80673	0.7
382.23657	100.0
383.23743	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	382.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18827	0.4
55.05504	0.7
57.03433	0.4
59.04989	1.9
60.04514	0.4
63.34241	0.4
65.07171	0.4
67.05477	1.1
69.03399	1.0
69.07039	0.9
70.06573	1.5
70.97092	1.1
71.04980	10.5
72.08134	0.4
79.05474	2.3
81.03419	0.9
81.07044	9.4
83.04967	0.4
84.04487	0.6
85.02896	3.5
85.06524	1.2
85.15450	0.4
86.09687	1.5
91.05464	1.1
93.07033	2.3
95.04934	0.4
95.08589	3.1
96.34415	0.3
97.02854	1.3
97.06512	2.8
101.05994	0.7
105.07007	0.9
107.04930	0.5
107.08591	2.7
107.89449	0.4
109.02835	0.6
109.06483	0.5
109.10137	0.6
110.07142	0.6
111.04424	0.5
113.09594	0.4
119.04881	0.4
119.08527	0.6
121.10130	28.3
122.10453	0.9
123.11691	7.8
125.05965	4.0
125.09618	1.5
127.03867	1.1
127.07517	1.7
127.08573	0.5
135.04358	0.6
136.07535	2.2
139.11159	12.8
140.11464	0.6
145.04880	0.7
149.09605	2.5
162.05351	0.4
163.03912	2.8
167.10654	14.9
167.62280	0.4
168.10997	0.6
185.11705	100.0
186.12109	2.8
191.03310	0.7
203.12737	3.6
223.10851	1.5
251.10216	0.6
268.16534	0.4
293.44592	0.4
302.17279	0.7
320.18396	0.8
382.21872	1.6
383.10974	0.5
383.16492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01858	2.5
57.07044	1.0
67.05495	1.1
69.03403	4.4
69.07059	1.3
70.06573	2.6
70.11634	1.9
70.12048	3.9
72.04502	3.8
72.08141	1.1
72.93801	0.9
73.02902	1.1
74.00664	1.0
75.19471	0.7
81.02937	0.9
81.03402	2.1
83.04954	1.8
84.04488	1.7
84.08130	1.2
85.02890	3.8
85.06524	1.6
86.09689	1.3
88.11212	1.1
89.03910	3.0
90.05534	11.6
91.05452	1.0
93.07022	3.0
95.04945	1.6
95.06046	0.9
97.02882	3.0
98.02399	1.7
99.04445	1.2
100.11241	1.4
103.05451	5.2
107.04946	2.6
109.02860	2.7
110.07111	1.9
111.04430	1.9
113.05930	1.0
116.03432	1.9
116.07087	1.1
117.03373	2.7
117.29112	0.8
120.08084	100.0
121.06567	1.4
121.08434	3.7
124.07552	2.2
127.03896	2.6
130.04993	0.9
131.04903	3.1
135.04401	4.9
137.05997	0.9
139.03879	1.2
145.02824	1.9
147.04324	1.1
149.05951	2.5
158.97359	0.7
163.03871	20.6
164.04369	0.8
165.78120	0.9
166.08612	59.8
167.09100	1.6
167.10616	1.7
167.56961	0.8
178.47906	0.9
184.09691	3.9
185.11772	1.1
199.06012	1.0
202.10747	10.2
204.95999	0.8
217.07030	1.7
220.06049	1.1
220.09743	1.3
220.11760	13.4
234.09776	1.6
234.99097	0.8
235.02005	1.1
237.99225	1.3
240.97787	1.0
250.10619	3.0
252.71259	0.9
262.12830	1.4
265.25592	0.8
298.67218	0.8
319.37076	0.9
328.13889	3.3
346.14932	1.7
347.17078	2.9
364.15872	4.8
364.19809	1.2
382.03204	2.6
382.11215	1.6
383.08209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1701
Annotation	cis-Zeatin-O-glucoside
Peak:m/z	Relative Intensity
57.07058	2.5
59.04967	2.2
67.05485	2.0
69.03398	1.2
69.07043	2.0
70.02930	2.2
71.03947	1.6
71.04324	1.4
71.17023	0.7
72.04504	6.9
73.02898	1.8
74.02459	0.8
79.05469	1.2
82.00404	0.6
83.04946	1.5
85.02891	4.9
85.06524	5.0
86.09660	1.0
87.08070	1.2
88.95856	0.6
89.03911	1.6
90.05539	52.6
95.04943	3.7
97.02888	1.3
98.02400	6.3
100.03945	1.8
103.07560	3.9
105.06992	2.6
109.48926	0.6
111.04365	0.9
113.05976	1.7
114.09089	0.7
116.03428	8.0
117.03346	0.9
122.09625	2.0
124.07579	9.6
127.03882	0.8
131.07008	1.1
132.82271	0.7
135.04390	3.4
142.08606	4.3
145.02806	1.4
147.76373	0.6
150.35941	0.6
160.09659	1.9
163.03874	10.2
166.08652	1.7
174.11208	1.5
184.09673	10.7
202.10713	17.1
202.12589	0.9
220.11765	100.0
221.12039	1.6
230.50732	0.8
252.97845	1.2
383.09464	2.9
409.01590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01878	1.7
55.05262	1.5
55.05500	18.0
57.03419	10.3
57.06790	2.7
57.07061	49.4
61.70886	1.4
67.05132	1.9
67.05489	34.5
69.07052	23.9
71.04958	4.1
71.08617	64.8
71.80074	2.2
73.02887	4.2
79.05473	17.7
80.05027	1.7
81.07037	68.3
83.04958	22.4
83.08599	14.3
85.06509	4.2
85.10165	33.1
89.05986	2.7
91.05469	6.9
93.07028	8.3
94.06525	2.2
94.16310	1.6
95.04887	1.7
95.08586	59.7
97.06484	2.3
97.10157	9.0
103.05455	4.4
105.07006	100.0
107.08559	5.6
108.08088	11.6
109.08885	2.4
109.10136	15.9
111.11719	1.5
113.05968	2.6
113.53167	1.4
119.08528	2.9
120.08076	6.3
121.10120	3.5
122.09650	3.4
123.11659	5.5
133.08575	2.0
133.10063	2.3
136.11176	3.0
137.13220	5.6
145.10046	2.5
150.79457	1.8
155.14275	28.5
165.16246	2.3
183.11790	1.5
183.17406	76.9
184.17770	2.8
193.15834	1.7
195.12161	1.6
196.12640	1.6
199.16888	77.3
200.14301	50.6
200.17169	3.2
209.18974	23.9
211.16875	24.4
212.14290	3.6
222.62440	1.5
224.20016	1.7
228.17418	6.0
235.20605	2.1
242.98991	1.7
261.22119	2.3
281.60590	1.4
302.24738	5.7
363.32452	9.3
382.30957	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.05507	5.4
57.07051	3.1
59.04978	1.4
65.03925	4.7
67.05128	1.8
67.05492	35.2
69.03418	97.7
69.07056	7.1
70.06576	1.0
70.48875	0.9
71.04975	1.8
71.08617	1.2
72.08148	12.1
79.05483	13.3
81.03403	3.9
81.07039	17.2
83.04977	2.5
83.08603	5.0
85.06522	2.8
91.05460	8.7
93.07030	13.6
95.04951	85.3
95.08587	20.5
97.06526	4.1
97.10191	1.6
99.08065	3.7
105.07003	12.0
107.04940	11.7
107.08578	14.9
109.06474	4.7
109.10136	12.4
111.08060	3.1
117.07004	4.8
119.08558	16.1
121.06481	2.7
121.07317	0.9
121.10120	17.8
123.08022	5.4
123.11690	8.4
125.09598	3.3
129.06963	2.6
131.08533	10.4
132.08879	1.1
133.06418	1.3
133.10110	9.9
135.08031	11.8
135.11670	4.9
137.09613	2.1
139.11137	1.5
142.07777	1.2
143.08505	7.3
143.11794	2.2
144.09294	1.2
145.10109	13.8
147.08037	2.0
147.11661	9.2
149.09598	4.3
149.13281	2.4
151.11154	3.8
155.08542	3.7
157.10091	8.4
158.10768	1.2
159.08041	1.1
159.11681	11.4
161.09584	4.4
161.13235	7.0
163.11179	2.1
165.12753	2.5
167.08624	1.4
169.10103	5.7
171.11676	7.6
173.13196	7.4
175.09769	1.1
175.11153	4.5
175.14764	2.7
177.12770	1.4
181.10114	4.0
183.11674	7.9
185.13249	8.6
187.14807	12.6
189.12712	3.0
189.16327	2.3
195.11722	4.2
196.12520	2.0
197.13202	4.8
199.14818	5.6
201.12685	1.4
201.16324	4.2
203.14429	2.5
205.15889	1.4
209.13271	4.5
210.14014	1.0
211.14806	6.4
213.16388	4.7
215.14348	1.4
215.17967	1.4
217.15833	1.7
219.11674	1.2
223.14885	2.2
225.16290	8.5
226.16989	1.4
227.14285	1.2
227.18008	5.1
229.15854	3.1
229.19513	1.3
231.17377	3.2
235.14893	2.1
237.16423	3.6
239.17955	4.1
241.15781	1.7
241.19545	1.2
243.17476	3.5
245.18925	4.7
249.16403	1.2
251.17889	2.0
253.19522	1.7
255.17403	2.5
255.21161	1.6
257.18790	2.1
259.20581	3.6
265.19525	1.5
267.21155	1.3
269.19089	1.4
271.20590	1.5
273.22076	1.4
277.19510	3.4
278.72229	1.1
281.18927	2.2
283.20490	3.1
287.23615	1.0
293.18985	1.7
295.20599	5.6
295.24207	12.3
297.22061	2.3
299.23505	1.2
300.87332	1.0
307.20621	1.1
309.22018	1.6
311.23730	4.5
313.25287	12.6
319.24237	1.5
321.22079	3.4
335.23740	2.1
337.25159	6.4
339.27054	1.2
342.99149	1.1
353.28497	1.4
363.26733	22.7
381.27844	100.0
382.27835	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	381.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47338	1.7
70.09834	9.4
89.83462	1.6
112.50177	1.8
114.79939	1.6
211.28093	1.8
300.25461	1.9
381.07877	100.0
402.86227	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2419
Annotation	5-Methyl-4-hydroxy-3-farnesylcoumarin
Peak:m/z	Relative Intensity
54.88848	1.2
55.01853	1.2
55.05489	2.7
56.96553	1.4
57.07060	3.7
59.04981	1.5
61.02885	1.4
65.58904	1.0
67.05493	6.5
69.03409	3.0
69.07054	2.3
71.04971	1.4
71.80910	2.1
72.08134	1.0
79.05466	5.9
79.62823	1.0
81.03409	2.9
81.07049	9.3
83.04952	1.4
85.02896	1.9
85.06525	3.8
91.03925	1.4
91.05450	9.2
93.07028	8.8
95.04957	15.6
95.08599	3.1
97.02888	1.3
97.06516	2.4
105.03358	1.2
105.07012	14.9
107.04904	1.4
107.08572	4.8
109.06509	4.7
109.10123	2.2
110.64130	1.0
117.07008	3.1
119.04923	1.3
119.08570	9.7
121.06483	2.2
121.10106	2.6
123.08055	6.4
129.06981	3.2
130.83533	1.2
131.08533	8.9
133.06522	2.9
133.10130	5.7
135.08031	4.4
137.02278	1.4
137.05963	2.0
142.07776	2.5
143.08524	7.1
144.09288	2.6
145.06529	1.5
145.10095	7.6
146.07248	1.4
147.08018	6.3
147.11673	2.6
149.09601	3.2
151.07547	5.8
155.08554	3.7
156.09306	1.4
157.10068	6.4
158.10849	1.2
159.08035	4.4
159.11661	3.0
161.09537	6.2
161.13216	1.8
163.03893	1.7
163.11206	1.9
165.06931	1.3
165.09114	3.5
167.08530	1.5
168.09323	1.2
169.10085	3.2
171.08105	1.2
171.11659	2.9
173.09598	12.8
173.13245	3.5
175.11185	2.2
177.09035	1.6
179.08505	1.2
181.10060	2.7
183.11632	5.0
185.09691	2.1
187.11214	1.4
189.00591	1.5
189.12770	2.4
192.09309	1.3
194.10841	1.4
195.11681	3.5
197.13182	1.5
199.11110	2.3
201.12689	3.3
203.14337	2.1
207.11757	1.7
207.13713	3.0
209.13240	1.4
211.11113	1.0
211.14905	1.3
213.12733	3.0
215.10760	1.5
221.13419	1.1
221.15385	2.9
223.14706	1.1
224.43529	1.1
229.12230	1.5
247.14986	1.2
259.23300	1.2
285.10168	1.9
302.04333	1.4
317.92044	1.1
339.08624	1.3
363.23239	2.2
381.09885	9.0
381.24194	100.0
382.09894	1.6
382.24521	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	381.0785
Annotation	Piclamilast
Peak:m/z	Relative Intensity
51.73267	1.6
55.56579	1.9
57.36708	2.0
58.01437	1.5
61.55859	1.8
63.25945	1.6
67.39551	1.8
70.44350	6.2
117.21052	1.9
219.02596	2.6
321.15463	1.8
329.17850	2.0
338.61801	1.6
343.99991	1.9
381.07877	100.0
382.08188	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.294
Annotation	Homopseudopteroxazole
Peak:m/z	Relative Intensity
50.01585	0.2
51.02364	0.3
53.03944	0.6
55.05504	0.2
57.07053	0.3
67.05478	0.2
69.58068	1.1
71.08622	0.1
73.76923	0.1
77.03920	0.5
79.05476	8.6
80.05820	0.2
81.03424	0.2
81.07030	0.3
83.08589	0.1
93.07024	0.3
103.05450	5.7
104.59483	0.1
105.07008	100.0
106.07346	1.8
107.08523	0.2
119.08522	0.1
145.10085	0.1
146.09625	0.3
148.07571	0.2
162.08987	0.2
164.10670	0.2
276.23169	2.2
362.26944	0.2
380.29401	72.6
381.29758	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	380.388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12800	0.3
55.05499	0.6
57.07067	4.1
58.06586	4.0
60.63247	0.3
62.85894	0.3
67.05489	0.8
69.07052	0.9
70.06566	2.2
70.84428	0.7
70.84826	0.7
71.08611	3.8
72.08138	1.4
79.05463	0.5
81.07050	1.7
82.06557	0.4
84.04496	0.6
84.08127	0.4
85.10165	1.9
89.06013	2.0
96.08103	1.2
96.75806	0.3
111.50426	0.3
120.76147	0.3
128.52580	0.3
133.08551	0.5
155.14294	0.3
195.12184	2.7
196.20583	1.6
212.20053	8.4
213.20403	0.5
216.78526	0.3
226.25282	4.2
227.25456	0.3
380.38800	100.0
381.39145	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	380.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05502	3.8
56.05029	4.1
57.03423	1.7
57.07063	15.7
58.05132	0.8
58.06586	0.6
67.05495	8.8
67.61703	0.7
68.05004	2.3
69.07058	5.7
70.02945	2.5
70.48386	0.8
70.48735	2.6
71.08236	1.1
71.08620	19.9
74.06056	2.6
79.05468	4.3
80.04999	2.9
81.07041	16.9
82.06568	19.1
82.07346	0.8
83.08593	2.7
84.04494	4.5
84.08144	1.4
85.05273	2.0
85.06531	1.3
85.10173	13.1
91.05468	1.9
93.07020	3.0
94.06549	1.9
95.04956	0.7
95.08591	13.9
96.04514	1.5
96.08138	0.9
97.10162	1.2
100.07566	0.9
100.26280	0.8
102.05512	2.2
105.07001	3.1
107.08578	2.4
108.08102	4.2
109.06473	0.7
109.10136	1.2
110.06020	42.4
110.09643	1.9
110.33907	0.7
112.07585	1.5
117.06979	1.0
119.08592	0.7
120.08078	1.2
121.10105	1.0
122.05992	1.7
122.09623	1.4
123.06770	2.7
124.07590	1.9
128.07051	11.8
130.04968	10.3
131.08521	0.9
136.07518	0.8
136.11153	1.6
147.34743	0.7
150.09053	0.8
152.10672	1.3
154.08592	2.5
155.14322	5.4
180.10086	0.8
180.13808	1.2
182.11787	0.9
194.19011	2.0
195.12299	1.0
195.17372	0.9
198.11227	18.9
198.12846	0.7
208.13202	0.9
208.16904	5.2
208.84877	0.6
210.11258	2.0
220.20601	1.6
226.14398	5.7
236.20053	29.0
237.20453	1.2
238.21614	6.8
251.23685	0.8
254.21080	0.9
261.22156	1.9
282.20587	56.3
283.21027	2.2
300.21552	0.8
362.27042	4.0
380.27884	100.0
381.28369	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	379.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
55.05494	12.5
56.15887	3.4
57.07066	58.7
58.69289	3.6
60.07343	3.0
67.05495	52.9
69.07050	20.2
69.51466	26.8
69.51882	7.6
70.75550	3.0
71.08617	100.0
76.10139	3.0
79.05476	7.6
81.03410	30.5
81.07044	73.8
83.04976	4.0
83.08595	13.1
85.02926	5.1
85.10163	51.5
89.06001	4.4
91.05463	13.9
93.07014	12.3
95.04958	15.2
95.08586	72.8
97.06468	4.6
97.31382	3.5
99.04473	3.4
105.07010	6.3
107.08566	7.6
109.10127	9.3
119.08569	11.0
121.10123	5.7
123.63192	3.0
129.07050	2.9
133.08600	3.6
133.10063	10.3
135.11600	4.2
137.13231	13.8
147.11623	3.9
155.14287	95.8
163.14893	3.2
189.16351	9.4
189.18251	3.3
193.15929	10.1
195.12251	5.5
207.17371	16.6
223.16866	4.7
225.18454	27.3
249.18460	4.2
269.75507	3.3
333.31384	6.1
361.30917	17.1
379.31912	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
53.44176	2.5
55.05490	12.7
57.07063	71.9
67.05490	41.5
67.70767	2.6
69.07056	17.8
71.08614	97.5
71.82951	2.9
71.83353	3.7
79.05476	12.5
81.03406	34.2
81.07037	76.6
83.04989	3.8
83.08596	12.2
85.06493	3.4
85.10162	47.5
89.06030	3.7
91.05460	12.5
93.07014	10.5
95.04969	16.2
95.08591	70.1
97.06572	3.2
97.10168	3.0
103.25194	3.1
105.07017	6.8
107.08590	8.8
109.06503	4.4
109.10144	9.5
119.08526	13.0
120.40787	2.7
121.10124	7.8
123.08042	4.4
123.11648	6.2
133.10121	6.8
135.11653	5.4
137.13232	18.2
138.25981	3.2
147.11693	3.0
153.12729	3.4
155.14278	100.0
156.14604	3.0
189.16379	7.8
193.15849	7.8
195.12257	3.3
207.17416	24.3
207.19150	4.2
224.20078	17.1
225.20390	18.7
265.33737	3.1
333.31418	4.6
361.31009	16.0
379.33054	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	379.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07663	0.6
53.03913	0.9
55.05501	1.5
57.07058	6.0
63.21984	0.6
65.03963	0.7
67.05483	2.9
69.07050	3.0
70.84892	2.2
71.08610	3.9
79.05459	1.4
81.03390	1.5
81.07052	4.2
83.08596	1.1
85.10154	2.0
89.05993	0.7
91.05476	1.3
93.07012	1.4
95.04931	2.8
95.08560	3.3
105.06982	1.0
109.02847	3.0
109.06474	0.7
109.10129	0.8
123.04416	1.8
128.12181	0.7
140.39221	0.6
155.14275	1.0
179.89012	0.7
194.45627	0.8
195.12265	1.1
207.17419	2.7
225.20354	0.9
235.16963	2.2
249.18451	2.0
333.31601	1.1
361.30936	100.0
362.31268	4.4
379.31866	1.0
389.38867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07876	0.4
52.75468	0.4
53.03943	0.5
55.01856	0.6
55.05500	4.0
57.03423	2.7
57.07068	1.1
59.04992	3.6
61.51980	0.4
65.03920	1.0
67.05493	56.6
68.05840	0.9
68.99777	1.1
69.03418	0.8
69.07061	1.1
69.88560	2.8
71.04974	2.6
74.32232	0.4
79.05497	1.1
81.03399	0.8
81.07045	6.7
83.08610	4.2
85.02875	0.5
85.06525	1.6
86.09700	0.6
87.00356	0.4
87.00800	2.0
91.05467	7.0
93.07019	3.2
95.04926	0.5
95.08600	5.5
99.04433	0.5
99.08047	0.5
101.24370	0.5
105.07011	0.8
107.08562	2.0
109.02868	1.4
109.10138	72.1
110.10464	2.0
111.08068	2.2
119.08568	7.6
121.10083	0.4
123.11703	0.7
125.09631	0.8
127.03821	0.6
127.11142	0.9
137.09586	7.8
143.03372	0.8
144.83435	0.5
147.11649	0.5
155.10640	16.7
165.09064	2.9
173.11707	100.0
174.11989	3.0
183.10063	2.0
201.11107	3.2
207.08601	0.5
229.14355	6.0
241.87494	0.4
269.10168	9.6
270.10455	0.6
275.14810	0.6
287.11203	6.0
297.13019	0.5
317.15836	0.8
343.13782	7.1
344.13989	0.7
361.14874	30.1
362.15009	1.4
369.94431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12487	0.3
53.03917	0.8
54.53387	0.3
55.01865	2.8
55.05492	0.6
57.03423	0.7
61.02902	0.4
65.03922	1.9
67.05515	1.4
67.05798	0.3
69.03417	1.8
70.06572	0.4
71.01353	0.5
71.04972	0.5
71.81596	0.6
73.02915	0.5
79.05493	0.6
79.08186	0.3
81.03401	3.2
81.07053	0.9
83.04966	0.5
85.02893	5.5
86.09697	0.6
91.05463	100.0
92.05799	3.3
93.07038	0.4
97.02864	2.2
99.04436	2.8
103.03922	5.0
103.05451	0.6
105.07018	3.4
107.08579	0.4
109.02855	5.1
109.10135	2.0
111.04414	0.4
115.05440	0.9
117.06995	5.6
119.08569	0.7
120.08066	0.4
121.06510	0.4
127.03893	6.5
128.06197	2.9
129.05466	0.9
129.06998	6.7
130.07396	0.3
131.08540	0.9
132.95818	0.8
133.06508	2.1
137.09520	0.3
140.80600	0.3
141.06952	0.6
143.08533	4.4
145.04950	5.2
145.06467	4.8
147.04454	0.5
147.08046	1.2
150.96892	0.5
152.39206	0.3
153.06947	2.4
155.04890	2.9
155.05994	0.5
155.08496	0.4
157.06476	1.2
161.05971	0.6
169.06503	0.7
171.08025	5.2
173.05969	4.4
173.11728	2.2
175.07539	2.3
179.13467	0.3
181.06490	1.2
187.06006	1.0
189.09093	0.4
193.08571	0.4
199.07515	9.7
200.07956	0.5
217.08546	5.4
218.08957	0.4
235.09700	1.1
259.09631	0.7
277.10675	2.5
300.60608	0.3
347.27847	0.3
361.14871	0.6
395.00766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.05501	2.0
57.24974	0.3
67.05485	1.1
69.03401	0.4
70.06586	0.6
70.14713	1.2
71.04982	0.4
79.05485	1.1
81.03393	1.1
81.07038	1.0
81.77198	0.4
82.06573	0.5
83.04957	0.5
83.08608	0.8
84.08932	0.3
85.02837	0.5
85.06515	0.4
86.09653	0.4
88.67494	0.4
89.15939	0.3
89.86448	0.3
91.05466	0.9
92.79044	0.4
93.07034	0.9
95.04952	0.5
95.08595	0.7
97.02856	0.5
97.06542	0.5
98.20748	0.6
98.23572	0.4
100.11250	3.8
101.11588	0.6
105.06994	0.8
107.04951	5.3
107.08598	0.5
109.02879	2.8
109.10171	0.5
111.04458	0.6
119.08538	0.6
120.08079	0.8
121.08457	0.4
121.10038	0.4
127.03883	1.3
128.81476	0.3
131.08536	0.6
133.10120	0.6
137.05934	0.4
141.11400	0.4
145.10141	0.5
147.11674	0.4
153.01801	0.6
163.03865	0.6
182.15385	1.2
183.15855	0.5
183.54353	0.5
185.04195	2.9
197.06087	0.4
201.05246	2.6
209.16475	0.4
210.14857	1.3
211.15149	0.7
216.07549	16.9
217.05083	0.5
217.08319	10.8
218.08632	0.6
227.17490	0.4
301.04288	0.4
343.30420	0.4
348.12030	2.4
349.12622	0.9
379.13593	100.0
380.13956	5.4
398.82751	0.4
399.32986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
53.24310	0.6
55.01860	1.1
55.05492	2.6
60.04494	1.1
65.03930	4.5
69.03408	2.4
70.06564	2.2
71.04967	1.2
71.06894	0.7
71.79466	0.9
71.79849	0.6
73.02873	0.8
73.06541	3.7
74.00646	5.7
76.02206	1.2
81.03405	3.0
81.07047	0.8
82.06574	3.7
83.04937	0.7
85.02883	6.5
86.09682	1.1
88.03946	0.8
90.99798	0.7
91.05470	3.2
93.03383	2.3
93.07050	1.3
95.04929	2.0
95.08602	0.7
97.02870	4.1
97.06521	1.2
99.04434	3.5
101.05986	4.3
103.03917	4.6
103.05447	1.2
105.03371	56.4
106.03704	1.8
109.01082	4.8
109.02832	4.1
111.04417	8.6
111.63194	0.6
112.07569	0.9
118.06519	2.4
120.01129	6.1
120.08083	13.1
121.02841	100.0
122.03187	2.3
127.03883	7.5
128.07060	11.1
135.02628	5.4
135.73485	0.7
135.99741	1.6
137.00529	25.1
145.05055	0.7
146.05968	0.8
147.04393	1.0
151.02144	1.6
152.01520	0.6
153.00146	0.8
157.08661	0.8
160.02130	2.0
163.03876	1.4
165.09109	1.5
166.45000	0.6
169.08527	0.8
175.76085	0.7
178.03177	12.8
181.08658	0.8
183.10205	1.1
196.04283	1.2
199.09636	1.4
203.07979	0.8
204.08728	1.3
211.05783	2.3
216.08755	12.9
217.05975	0.7
221.08267	1.2
224.03717	17.4
224.10669	24.9
225.01964	0.8
225.04080	1.0
225.10922	1.1
230.10324	1.2
240.10234	36.7
241.10611	3.2
242.04858	3.0
242.11725	2.3
246.09862	1.7
254.06268	5.3
259.11792	2.5
272.07318	1.0
280.07889	0.6
286.09296	4.0
326.08270	2.0
343.11011	4.0
344.11151	0.8
361.12231	2.9
379.09268	1.3
379.13422	9.0
379.18835	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.7
55.05502	1.8
57.07066	6.8
67.05159	0.5
67.05489	3.6
69.03391	0.3
69.07055	3.2
70.02586	0.4
70.02940	6.9
70.06557	1.2
71.06467	0.6
71.06781	0.5
71.08250	0.5
71.08617	8.6
72.08135	0.6
77.90201	0.4
79.05458	1.2
80.04993	1.9
81.03373	0.3
81.06595	0.4
81.07037	5.3
81.77406	0.3
82.06567	1.9
82.21797	0.3
83.08619	1.5
84.08111	0.4
85.10165	4.8
93.05750	0.6
93.07008	0.3
94.06544	2.2
95.08583	6.8
96.04474	0.8
98.06039	4.7
106.06580	0.4
108.08083	1.3
109.06462	0.5
109.10123	0.7
119.08524	0.3
126.09103	1.1
135.11644	0.3
137.13232	0.7
153.12680	0.4
155.14270	2.4
168.17485	0.7
182.19058	0.5
196.16946	0.4
206.18988	10.9
207.19305	0.4
208.16928	1.8
224.20052	100.0
225.20422	4.6
361.33102	0.3
378.33600	19.8
379.33838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.05251	0.7
55.05499	5.6
57.03413	0.4
57.07069	3.9
61.02901	0.4
67.05482	1.7
68.89011	0.5
69.03403	1.0
69.07043	1.4
69.18118	0.4
69.91473	2.5
74.64622	0.4
76.43291	0.4
78.16634	0.4
79.05478	1.2
81.03380	0.7
81.07037	1.9
83.04960	2.9
83.08606	0.5
85.02871	1.9
85.06524	3.0
91.05465	1.3
92.05906	0.5
93.07034	3.6
94.07387	0.4
95.08591	5.6
97.02891	0.6
97.06492	1.9
98.21400	0.8
105.07005	1.5
107.08574	8.4
109.02848	0.7
109.06497	2.1
109.10131	1.5
111.04421	48.5
111.08018	2.3
112.04756	1.3
113.05991	0.9
113.57182	0.4
117.06964	0.6
119.08587	0.8
121.06477	1.6
121.10121	1.5
123.06512	0.5
123.08054	0.6
125.05966	15.0
127.03914	0.4
127.07529	1.8
130.07693	0.5
135.08028	7.4
135.11664	11.0
135.12628	0.8
137.13185	1.0
138.96584	0.4
139.07507	1.5
145.10109	9.4
153.12712	3.5
160.45758	0.4
163.11154	13.0
164.11462	0.8
181.12198	100.0
182.12553	4.8
199.13255	45.3
200.13623	1.6
203.60623	0.4
313.58649	0.6
338.22699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77682	1.5
55.01861	21.5
55.05490	7.0
55.50824	1.6
56.05011	2.9
59.04987	2.3
60.04507	4.7
61.02915	2.1
65.03951	2.1
67.05486	8.1
67.16846	1.6
68.99752	1.5
69.03411	14.9
69.07072	8.7
70.06571	4.6
70.41062	2.0
71.04970	3.2
71.81253	1.8
71.81596	2.5
72.52759	1.6
73.02902	3.4
74.06042	1.9
79.05479	5.0
79.48495	1.7
81.03405	3.8
81.07050	8.9
82.06567	18.9
83.04965	3.5
83.08614	2.6
84.04456	2.2
84.77567	1.6
85.02885	18.1
86.09692	8.0
87.10705	1.6
91.05471	6.8
93.07033	14.8
95.04945	3.8
95.08582	23.7
97.02879	5.9
97.06517	17.8
99.04433	2.8
105.03365	5.4
105.06989	10.6
106.23721	1.7
107.04954	2.1
107.08573	4.5
107.39547	1.7
109.02866	6.7
109.10138	13.1
111.04446	2.6
111.08052	20.8
116.07046	3.5
119.04905	2.0
119.08582	3.2
120.08061	9.7
121.02831	20.7
121.10128	23.9
122.03164	2.5
123.08042	33.0
124.03903	2.2
124.07545	2.0
126.05421	1.8
127.03903	3.9
127.11173	11.2
128.07056	44.9
130.06526	2.4
135.04362	2.4
135.11699	2.2
136.07603	2.1
137.09575	10.4
139.11153	73.1
140.11443	3.2
141.09084	13.4
145.10060	3.8
159.39331	1.8
161.05893	2.2
163.03929	3.8
163.11159	3.2
169.12216	13.8
181.08612	12.1
181.12196	47.5
187.03909	3.9
190.02608	3.2
195.02774	2.6
199.09669	3.6
199.13261	46.8
200.13560	2.3
208.03484	2.4
211.27673	1.8
215.03477	2.8
223.00635	2.6
233.04414	6.8
251.07162	1.9
274.18903	1.8
279.06500	4.2
293.08002	9.5
295.06006	5.7
295.09381	2.0
301.88403	1.9
307.05963	9.7
308.06769	15.1
309.07559	3.1
321.07568	6.9
322.08301	14.1
323.09085	4.6
333.07449	3.5
336.06305	3.0
350.07587	2.1
351.08575	39.0
361.06985	2.3
374.76056	1.9
378.07214	3.1
378.15091	3.5
379.08044	100.0
379.12927	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	378.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
54.80590	0.4
57.03419	0.9
60.87574	0.4
61.02895	0.6
69.03416	1.2
70.06599	0.5
71.80748	0.6
72.08159	0.4
73.02946	0.6
74.06080	0.4
81.03413	1.1
83.05000	0.4
84.08147	0.6
85.02902	4.8
86.09710	0.6
88.87173	0.4
91.36771	0.4
93.07007	0.4
94.04150	0.5
95.04948	2.1
97.02879	1.6
109.02855	0.9
111.04399	0.5
122.03646	1.6
123.04427	1.0
127.03938	0.6
130.06506	0.6
131.04912	0.8
133.49535	0.4
135.04352	0.7
137.05962	100.0
138.06302	2.5
140.04669	5.6
145.04932	0.4
147.04448	0.5
151.07475	0.6
153.05521	0.8
155.07013	2.3
163.03885	1.0
163.07513	2.4
166.05188	0.6
175.07491	0.8
180.08562	0.5
181.05046	0.6
181.08583	12.3
181.10103	0.8
199.05989	5.5
223.02153	0.5
248.57053	0.5
265.10620	0.5
288.29041	0.5
289.10400	0.7
360.14169	0.5
378.02286	1.3
378.08679	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	378.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01854	1.6
57.03442	1.2
61.02916	2.9
61.45621	0.8
64.57690	0.8
65.03938	2.0
67.05498	2.4
69.03416	4.0
70.06580	1.2
71.46552	1.8
81.03403	1.5
85.02892	16.5
89.03886	1.3
95.04954	19.7
97.02885	7.6
105.06390	0.8
105.06996	5.1
109.02911	1.6
110.03656	1.0
111.04440	1.6
117.03374	1.2
121.02864	2.3
122.09637	2.4
123.04415	16.0
125.02353	4.1
127.03880	4.1
135.04413	1.6
136.06212	1.2
137.05968	1.1
139.03873	1.0
140.04663	94.7
141.05038	2.1
145.04944	3.5
155.07011	44.8
156.07359	1.3
162.07608	1.0
163.03894	5.5
164.04254	2.0
167.03419	1.2
169.04993	1.6
173.08093	5.1
180.08667	7.9
181.04947	12.0
181.06427	1.5
181.08659	1.4
182.42110	0.8
185.02141	1.0
186.05486	0.9
199.05992	100.0
200.06314	2.6
215.05269	2.9
216.05641	1.3
218.46416	0.9
223.02287	1.5
318.09921	1.5
331.45361	0.9
343.10251	1.2
378.08563	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	377.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	23.8
57.03415	5.7
57.06822	6.4
57.07068	73.8
59.04987	37.6
66.46295	5.2
67.05486	34.8
69.07050	20.7
71.04980	4.7
71.08602	36.1
71.34855	5.0
72.08965	4.3
79.05479	18.7
81.03400	9.4
81.07036	59.3
81.23071	4.5
83.04977	26.4
83.08603	13.7
84.10769	4.8
85.02898	8.0
85.06573	4.7
85.10163	19.8
87.04466	5.0
89.06003	24.4
91.05465	19.1
93.07037	35.0
95.04950	26.6
95.08585	64.6
96.08883	6.4
97.10155	5.6
103.05444	7.9
105.07005	46.5
107.04910	7.7
107.08553	22.8
109.06498	13.3
109.10140	45.4
111.04416	16.1
117.07001	7.9
119.04922	7.7
119.08547	19.4
121.06472	67.4
121.10079	11.0
122.06814	21.6
123.08070	24.9
127.11169	19.7
131.08534	17.2
133.04637	5.0
133.08594	10.7
133.10088	8.3
135.11720	5.3
138.09102	11.9
143.08533	9.2
145.10146	8.4
147.08011	6.1
147.11641	6.6
157.10045	9.0
159.11653	24.6
161.09595	19.8
177.12697	30.1
183.17419	14.4
188.11436	5.5
195.12289	11.5
229.45522	5.9
251.20042	100.0
289.64291	4.9
291.23190	5.6
301.25186	33.2
314.08057	4.6
314.11948	7.0
319.26270	10.1
331.29895	20.8
359.29199	7.6
377.17410	17.9
377.30466	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	377.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.1
57.06816	4.2
57.07064	46.0
59.04984	14.8
67.05481	11.1
67.97745	3.3
69.07036	8.8
71.08620	35.1
71.79401	3.9
79.05475	6.2
80.44631	3.5
81.07027	14.2
83.08595	5.7
85.10168	19.7
89.05572	4.7
89.06019	51.9
91.05444	4.9
93.07011	8.3
95.08577	15.4
105.07021	5.2
107.07021	3.7
119.08516	8.2
131.08546	5.2
133.08577	16.5
133.10068	7.3
135.04153	100.0
135.08084	4.8
151.09550	5.4
159.11491	3.6
167.63731	3.7
177.11197	4.4
177.12677	4.9
195.12233	32.1
202.67609	3.6
226.49086	4.1
261.18228	99.2
319.22375	64.7
359.25656	5.6
377.26614	33.2
378.26111	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	377.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09015	0.7
51.43504	0.7
53.03931	6.1
55.05496	1.5
57.03418	2.5
61.02903	1.7
64.02181	0.8
67.05467	1.7
69.03417	16.5
69.07053	1.0
70.25513	3.2
71.01325	0.8
71.04980	6.2
71.08613	1.4
76.89834	0.6
79.05476	0.8
80.94767	0.7
81.03398	29.3
81.07042	1.3
83.04960	1.0
85.02886	55.3
91.05453	2.1
93.07008	2.1
95.08584	1.8
97.02872	5.4
97.06493	2.0
98.20660	0.9
99.03775	1.1
99.04433	28.7
103.03920	53.3
105.03376	1.6
105.07011	1.7
107.08543	1.0
109.02860	24.5
109.10105	1.1
111.04414	0.8
119.08585	1.1
120.08096	0.8
121.10130	1.2
125.06026	0.8
127.03889	100.0
128.04227	0.9
130.64891	0.7
133.10010	0.7
145.04915	13.2
157.06392	0.8
159.11580	0.9
163.05989	2.5
163.07323	0.7
177.16278	0.9
187.05994	8.7
243.89226	0.7
253.07111	2.9
258.14923	1.2
271.08035	2.6
275.14987	1.1
278.42230	0.8
286.07779	0.8
302.17477	1.8
302.74789	0.7
334.20145	2.7
378.22699	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15807	3.3
68.36065	2.9
69.03413	6.8
70.06589	6.6
71.78825	3.8
72.08145	11.6
73.02926	3.9
74.20422	3.1
81.03418	4.7
81.04529	11.8
84.08130	12.4
85.02879	18.1
96.43929	2.8
97.02875	11.3
97.64949	2.7
99.04387	3.5
119.01917	5.7
121.06501	12.2
122.06832	10.2
127.03914	3.4
127.05022	3.8
130.08611	8.9
137.05920	6.6
138.05447	4.4
145.04903	4.4
155.01892	3.8
167.52324	3.4
170.06027	4.0
185.02927	7.2
214.99521	19.7
215.05157	3.4
234.74838	3.3
245.05229	8.0
252.10065	3.6
261.46341	3.2
264.07159	3.8
282.93488	4.5
377.04742	100.0
377.08792	42.1
378.04916	5.2
388.26874	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	377.1449
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
51.00521	0.3
53.03939	1.8
53.95157	0.2
55.01840	0.8
57.03428	7.4
59.04980	0.6
61.02915	3.0
69.03417	12.9
69.84359	1.9
71.01340	2.2
71.04987	3.1
73.02901	2.0
75.04480	1.9
81.03407	2.9
81.07004	0.5
82.03738	0.2
85.02904	0.3
87.04434	0.4
87.94886	0.3
89.03918	0.4
91.05450	0.4
99.03857	0.4
99.04442	4.9
101.38665	0.3
103.05443	0.3
105.03347	1.2
107.48859	0.3
117.05479	1.3
137.00600	0.3
137.05969	1.6
138.06284	0.5
138.09061	0.3
141.05214	0.3
145.07607	1.5
147.09073	0.4
148.27290	0.2
157.06303	0.4
157.07545	0.4
159.09109	0.3
163.03824	0.9
170.07080	0.9
172.08673	26.4
173.06995	0.2
173.08987	0.9
174.10275	0.4
175.08661	0.6
179.10686	0.5
186.10155	0.4
190.09686	1.5
197.09496	0.3
197.11685	0.5
198.06583	4.5
199.06932	0.4
200.08153	3.9
210.10258	0.3
214.09641	0.5
214.14311	1.0
215.14673	1.1
216.07654	14.4
217.08051	0.8
218.09209	0.9
224.11838	0.6
243.08737	65.0
244.07018	0.5
244.09070	3.3
250.89038	0.3
257.10101	0.3
300.99548	0.3
316.12708	0.5
333.95703	0.3
341.12500	0.4
350.42294	0.3
359.13504	3.1
377.14493	100.0
378.14828	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	376.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02584	0.1
57.07066	33.1
58.07400	0.4
65.07581	0.1
69.59521	0.2
70.06571	0.2
70.94521	0.3
70.94860	0.3
76.08995	0.1
79.23575	0.2
84.08118	0.2
87.04447	0.2
89.65470	0.2
91.70749	0.2
95.08591	0.2
105.03373	0.4
107.06098	0.3
108.04488	0.3
117.93996	0.2
120.00153	0.1
121.02819	0.4
124.08691	0.4
125.07091	4.4
125.07943	0.3
126.05481	3.5
127.03901	0.2
134.07072	0.3
135.05531	0.3
174.09091	0.2
179.08014	0.2
191.11792	0.9
192.10214	0.4
208.14420	2.0
209.12817	9.8
210.11249	1.3
210.13094	0.3
218.12859	3.8
219.11275	2.4
228.11070	0.2
259.14209	0.2
260.15143	1.0
274.19153	0.6
275.14508	0.4
275.17493	7.3
276.17822	0.3
292.20148	7.9
293.18481	7.1
293.21530	0.3
302.18567	15.6
303.18875	0.7
358.24847	1.2
376.25879	100.0
377.26190	5.3
394.26920	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	376.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
57.03419	0.5
57.07043	0.7
59.04994	3.6
67.05479	0.4
69.07028	0.8
73.06525	0.3
79.01595	0.2
79.05469	0.3
80.04948	0.3
81.07052	0.5
81.53765	0.2
84.48129	0.3
85.11525	0.2
91.05421	0.3
93.05767	2.4
93.07015	0.3
95.04929	0.3
95.08566	0.3
98.21474	0.3
105.06994	0.6
106.06512	1.0
107.07328	2.3
108.04456	1.5
115.44012	0.2
117.05744	0.3
118.06526	0.5
119.08533	0.4
120.04404	0.3
120.08099	1.3
121.02811	0.3
121.08876	0.3
122.05975	0.8
122.09628	2.4
130.06479	1.0
131.07224	0.7
132.08086	1.7
134.05984	3.2
134.09602	0.8
135.06706	0.8
136.07549	0.5
136.11128	0.6
144.08046	0.3
145.08784	0.3
146.09668	0.5
148.07538	3.5
148.11151	0.8
149.08304	0.3
150.09093	0.9
158.09543	0.2
160.11177	0.6
162.09097	3.4
162.12729	0.4
164.10680	4.2
176.10620	0.4
176.14291	0.3
190.12149	0.3
204.13776	0.3
215.60858	0.2
232.20557	0.5
234.14857	0.2
234.18575	1.7
234.22034	2.3
258.22214	1.3
264.16177	0.3
276.23184	53.6
277.23468	3.3
283.57416	0.3
302.23837	0.2
316.22849	0.2
376.28415	100.0
377.28751	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61320	0.7
55.05484	2.7
57.07067	5.1
67.05476	2.8
69.07047	2.2
71.08616	2.4
79.05476	1.8
81.03393	1.6
81.07045	2.6
83.08600	0.8
85.10170	1.5
91.05478	1.7
93.07027	1.1
95.04936	3.0
95.08598	1.9
101.17229	0.7
105.06991	1.3
107.08582	0.8
109.02853	2.7
109.06448	0.9
123.04379	2.3
131.38841	0.8
149.05925	1.1
235.16916	2.4
236.91531	0.8
249.18427	2.2
263.20132	1.0
298.95624	0.8
375.32526	100.0
376.32828	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	376.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
56.54978	0.3
57.03426	0.4
61.02911	0.4
63.23544	0.3
65.01009	0.2
66.91946	0.3
69.03395	0.4
71.79597	0.3
72.08139	0.3
77.03907	0.3
85.02894	1.4
91.05461	2.7
93.07032	4.1
95.04950	1.2
97.02876	0.5
98.49750	0.3
103.05443	2.5
105.04488	0.4
121.06480	100.0
122.06810	3.1
138.09113	32.9
139.09483	0.9
148.27399	0.3
161.02983	0.4
163.03923	1.2
173.02843	0.4
183.05037	0.4
221.05116	0.4
376.10037	1.5
377.08484	1.2
392.35684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2372
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03925	4.7
55.01855	7.6
55.05502	17.4
57.03420	8.1
57.07055	5.2
59.04986	3.3
61.02918	9.6
67.05495	9.7
69.03416	29.4
69.04819	1.1
69.07055	39.5
70.06588	1.2
71.04973	7.6
71.81081	1.9
73.02905	6.0
73.06505	1.6
79.05476	6.0
81.03408	11.7
81.06593	1.9
81.07044	28.1
83.01326	2.5
83.04966	11.4
83.08604	9.7
85.02891	79.0
85.06530	25.1
86.03209	1.5
86.09671	1.2
87.04435	5.5
91.03938	4.1
91.05452	3.9
93.07031	17.2
95.04957	3.2
95.07981	2.7
95.08591	42.3
97.02880	27.0
97.06515	5.3
97.10164	10.3
99.04446	5.0
99.08082	24.5
101.02341	1.5
103.03929	1.9
105.03378	2.9
105.06999	3.6
107.08570	26.6
109.02873	8.9
109.10133	14.9
111.08061	4.3
111.11693	7.3
113.09622	8.2
118.21439	1.2
121.09238	1.9
121.10123	38.4
121.10957	2.6
122.10455	1.5
123.04434	1.9
123.11690	9.6
125.09576	9.7
127.03892	18.7
127.11183	2.2
133.10114	2.6
135.11678	17.1
136.51654	1.1
137.05936	1.9
137.13229	20.1
139.11153	10.2
145.04961	13.4
145.10089	1.2
147.11652	1.6
149.05836	1.1
149.13181	5.7
151.14728	6.8
152.08069	1.2
153.12735	12.1
155.04895	4.8
159.11559	1.4
163.07455	1.5
169.86432	1.2
173.05995	3.5
175.07494	3.3
177.16356	100.0
178.16628	4.0
191.03406	1.5
191.07008	2.1
195.17415	46.3
196.17780	3.0
197.11621	1.3
201.05396	22.9
201.07062	2.1
213.18452	75.3
214.18796	2.7
285.07516	3.6
295.05917	1.3
327.08783	1.7
327.29822	1.3
359.11176	3.7
375.23828	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	375.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26306	2.2
53.03930	8.9
55.01852	10.0
55.05484	6.7
57.03422	7.0
60.24526	2.3
66.18718	2.5
67.05490	12.8
69.03416	50.2
69.03780	4.7
69.07057	37.0
69.46371	5.0
69.46784	23.8
70.06570	2.8
71.01328	3.4
71.04974	12.9
73.02898	4.1
79.05484	29.1
81.03404	45.0
81.07047	42.0
83.04954	6.7
85.02892	100.0
85.06537	13.2
86.09709	3.5
89.06064	2.9
91.05460	32.3
93.07030	34.4
95.04939	16.7
95.08608	15.6
97.02876	33.6
97.06515	71.6
99.04439	47.2
99.08082	2.6
103.03925	72.1
103.05411	2.7
105.03378	6.2
105.07025	24.7
107.04935	7.9
107.08582	24.9
109.02865	38.2
109.06496	23.6
109.10120	3.4
111.04423	5.7
111.08063	13.9
113.05965	6.4
115.03931	3.9
115.05441	2.9
117.06984	9.2
118.06508	8.3
119.04893	3.7
119.08549	9.1
121.06493	14.8
121.10104	8.1
123.04380	3.0
123.08054	36.6
125.05972	3.0
125.09599	2.7
127.03898	87.7
127.04843	4.2
127.07546	8.7
128.04213	3.4
129.06966	5.7
131.04866	2.8
131.08551	18.9
133.06456	8.3
133.10117	3.4
135.08037	26.4
136.07559	12.5
137.05989	4.4
137.09589	20.5
139.02094	2.8
139.07547	7.9
145.04936	33.9
147.08081	14.7
149.05920	3.4
149.09587	21.4
151.02164	4.6
151.07507	15.4
153.00040	6.1
153.09062	26.7
159.08049	11.1
159.11607	2.5
163.06026	3.8
165.09073	30.1
167.01575	14.8
167.10703	3.9
169.04890	3.2
175.07594	2.5
176.01595	7.9
177.09082	61.5
177.16335	3.4
183.10114	7.6
187.06033	15.5
194.02733	12.4
195.10130	57.9
196.10336	3.3
196.13266	4.1
201.12700	3.1
205.06897	2.4
213.11140	21.7
213.14830	4.4
223.02769	2.6
224.48688	2.5
225.04973	2.5
229.12271	5.1
231.12059	2.6
237.11258	3.8
240.03194	12.2
255.12248	46.0
269.06683	2.4
271.08020	5.6
273.13245	5.8
277.01727	2.8
286.05151	6.3
289.09100	2.6
331.44598	3.0
339.14529	3.9
344.11102	3.6
357.20737	4.3
366.43149	3.0
375.09824	6.7
375.19083	9.7
383.96045	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	375.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.7
69.03412	2.0
69.86300	3.5
69.86739	3.7
70.06589	2.4
71.41759	0.8
72.08140	2.2
76.03967	0.9
79.05473	2.4
84.04494	2.3
84.08133	5.6
85.02900	4.3
86.09679	2.6
89.03890	1.6
91.05476	4.0
91.18937	1.0
93.07017	2.1
95.04955	1.1
97.02838	2.3
98.21513	1.4
103.05450	7.2
105.06954	1.1
107.04951	5.6
107.08569	1.1
108.08114	1.6
111.04416	1.2
115.64047	0.9
117.03360	1.9
119.04931	6.0
120.08087	100.0
121.06483	2.0
121.08443	1.8
121.10164	1.4
123.04401	1.6
127.03906	3.9
128.04942	3.1
129.10234	2.0
131.04919	2.6
135.04393	2.8
135.94365	0.9
137.05969	3.3
145.02815	1.4
146.05983	43.4
147.04393	6.7
147.06377	1.1
147.11156	0.9
148.04697	3.0
149.05962	3.0
151.03842	0.9
152.07089	1.8
153.07339	1.4
155.48224	0.9
163.03889	11.2
164.04205	3.8
164.07033	4.7
165.05461	1.7
166.08612	44.6
167.07004	2.0
179.07014	3.2
179.93542	0.9
183.06477	2.2
184.82104	0.8
192.06522	19.5
227.27228	0.9
314.81500	0.9
357.20743	3.3
375.10721	3.8
375.17526	0.9
375.22012	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	375.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
57.03418	0.8
59.88885	0.6
60.50979	0.6
62.70769	0.6
67.05488	1.6
69.03405	1.1
69.07024	1.2
69.87328	2.8
69.87753	1.3
70.06560	0.9
71.04955	0.9
72.08120	1.0
73.02876	0.7
79.05462	1.6
81.03400	1.2
81.07032	2.1
85.02884	2.1
86.09678	1.9
87.09997	0.6
91.05462	3.4
93.07013	1.5
94.04164	1.9
95.04939	2.1
95.08603	0.7
97.02862	1.2
97.06506	1.2
99.04432	0.8
103.05441	1.2
105.03366	5.4
105.06993	2.0
107.04955	2.4
107.08569	1.9
109.06488	0.8
110.16103	0.7
111.04431	0.8
115.05463	0.9
117.06983	0.7
119.08530	0.7
121.02863	0.7
121.06501	1.0
121.10112	0.6
122.03633	5.5
123.08065	1.0
124.07536	0.7
125.09627	0.7
127.03931	1.4
131.04897	1.3
135.08026	0.7
135.11638	0.6
137.05946	100.0
138.06258	2.1
143.04889	1.1
147.04382	2.4
149.05963	1.5
150.06743	0.7
151.07529	1.3
153.05423	1.8
159.04329	1.4
161.05963	4.9
163.07472	0.7
165.06989	0.9
167.07011	9.1
172.08784	1.1
175.07504	3.8
176.04648	0.8
177.05450	1.5
177.09050	1.0
179.07076	1.2
179.08580	1.6
191.06978	4.3
191.08446	0.8
195.08061	0.8
195.10138	1.0
195.13776	1.0
201.05432	1.2
203.06961	3.6
205.06290	0.9
207.08049	1.2
209.06013	0.8
210.06516	0.7
211.07462	1.0
213.11151	0.8
213.14752	1.2
219.08134	1.0
219.10091	0.9
221.05966	1.0
221.08031	0.9
222.06737	1.0
223.07486	1.4
224.08311	0.9
225.09035	1.3
234.06673	1.5
235.07501	2.1
237.09120	1.2
239.10715	1.0
243.08684	2.3
249.09045	1.2
251.07150	1.7
252.07739	0.9
253.08601	2.5
263.07101	0.8
265.08585	4.0
266.09174	0.8
267.10214	2.4
270.08768	0.7
277.08545	1.9
279.06580	0.7
279.09995	1.0
283.09439	0.8
284.10361	0.9
285.11142	2.2
292.07227	0.9
294.08847	2.1
295.09619	1.6
297.08359	0.6
297.11209	4.0
307.09451	1.3
309.11087	4.7
315.12296	1.5
327.12247	2.6
339.12207	2.0
345.13226	3.3
347.09253	1.0
375.04614	0.7
375.08502	6.5
375.13101	2.9
375.22772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1256
Annotation	Dercitamide
Peak:m/z	Relative Intensity
52.87760	0.5
55.01857	0.7
55.05491	0.6
62.37546	0.5
67.05470	0.7
69.03407	1.4
70.06573	1.1
72.08126	2.6
73.02908	0.4
74.06050	0.9
79.05478	0.9
81.03381	0.7
81.07043	0.6
83.04954	0.7
84.04499	0.6
85.02898	3.1
86.09680	3.1
89.65405	0.4
91.05447	1.3
93.07012	1.3
95.04945	0.6
97.02844	0.8
97.06503	0.8
105.07024	1.2
107.04942	0.9
107.08571	2.2
109.02869	0.6
109.10159	0.5
119.04973	0.5
119.08596	0.9
121.02840	1.1
121.10126	0.9
124.03984	0.5
125.09583	2.7
127.03901	5.7
129.10217	0.6
131.08505	1.0
133.10091	0.6
135.04407	1.3
135.08109	0.6
137.05925	2.6
139.03833	0.6
145.02721	0.6
147.04378	1.4
147.08006	0.7
149.09665	0.7
159.11324	1.6
161.06012	0.5
163.03894	4.9
164.04219	1.1
167.07013	1.2
177.05466	0.7
177.09059	1.3
178.05803	0.8
179.07018	1.1
183.06534	0.8
185.04202	0.6
187.10779	0.6
189.12332	0.7
195.06493	1.6
195.10159	1.4
195.13838	0.7
196.09712	0.5
200.14955	0.4
213.07555	0.6
213.11142	4.3
213.14854	0.5
214.10683	1.4
231.08356	1.3
313.12485	6.4
315.10425	1.8
332.97086	0.5
357.11621	0.9
357.20969	0.9
375.12524	100.0
376.12875	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	374.2682
Annotation	Lanitine
Peak:m/z	Relative Intensity
55.05500	2.7
56.05023	0.9
57.07066	13.9
65.42818	0.4
65.99816	0.4
67.05493	3.4
68.05009	0.7
69.07050	1.8
70.02919	1.0
71.08619	5.6
79.05473	3.3
81.07031	3.2
83.08606	2.3
85.10172	2.3
91.05467	9.3
93.06994	1.5
95.04967	0.4
95.08596	4.1
96.04471	4.6
96.14874	0.4
97.10126	0.6
98.21539	0.9
101.97237	0.4
103.05446	6.1
105.07025	8.3
106.06580	0.7
107.04928	2.9
107.08562	0.6
109.10139	2.3
117.06966	0.6
118.06508	0.8
120.08092	3.7
128.06174	0.8
129.06993	5.6
130.06508	1.7
131.04924	2.2
131.08519	0.6
132.08012	0.7
136.07776	0.5
144.08031	4.4
145.06442	0.6
146.09618	13.2
156.08093	0.5
158.09605	0.5
169.08829	1.2
170.09622	0.8
174.09140	2.1
184.11194	0.9
192.10143	5.5
199.96404	0.4
222.22134	0.5
226.21597	1.5
230.11804	0.4
236.20059	3.9
271.06247	1.2
298.14560	0.5
300.11087	0.5
310.25171	4.1
328.26306	26.9
329.26718	1.8
372.30396	0.4
374.26840	100.0
375.27203	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	374.232
Annotation	Deacetylspiramine S
Peak:m/z	Relative Intensity
53.03934	0.8
55.05509	2.1
55.05719	0.4
55.21520	0.4
56.05015	0.6
57.07067	5.7
58.06579	0.7
66.52973	0.4
67.05216	0.3
67.05499	3.3
67.20966	0.4
68.04996	0.9
69.07048	1.5
69.49062	1.6
69.49485	2.6
70.06584	6.7
71.08621	5.1
72.08138	0.4
79.05481	5.3
80.05015	0.6
81.03391	0.5
81.07034	4.2
83.04966	0.5
83.08607	0.5
84.04501	0.7
85.07274	0.4
85.10171	2.6
86.09655	0.4
88.07608	8.0
88.95028	0.4
91.05463	13.3
93.07013	1.7
94.06590	0.5
95.04965	1.5
95.08597	3.8
102.09168	4.8
103.05450	9.0
105.03381	8.4
105.07013	16.5
106.07322	0.5
107.04942	4.4
107.08572	1.2
114.09113	0.4
115.05463	0.5
117.07004	1.3
118.06520	0.7
119.08546	1.0
120.08087	18.6
121.02838	3.8
121.10080	0.9
122.06002	0.7
122.09664	0.5
124.03947	0.8
128.06139	0.8
129.07008	2.8
130.06503	13.2
131.04892	2.3
131.07047	0.4
131.08569	1.3
132.08067	2.2
132.10175	0.8
141.06963	1.6
143.07272	0.7
143.08488	1.0
144.08075	0.6
145.06406	0.4
145.10077	0.5
146.09630	0.6
146.11720	0.4
150.11269	0.6
155.08485	0.8
155.14322	0.4
156.08052	3.4
157.06427	0.8
157.10045	0.5
158.09618	0.7
167.08553	1.3
168.08012	0.6
169.06471	2.2
169.08784	0.4
170.09564	1.6
172.07637	0.6
173.13338	0.4
174.05476	0.7
174.09109	8.3
174.10622	0.4
176.07082	1.9
184.07472	0.7
184.11179	3.5
186.09152	2.0
190.16022	0.6
194.09645	0.4
197.13397	0.4
197.15350	1.4
198.09111	1.1
202.08665	2.2
208.17014	0.5
212.10664	3.9
220.09589	2.8
230.11510	0.5
232.09624	3.6
236.16571	0.6
237.11021	0.6
258.11243	5.1
262.21680	0.8
272.69400	0.4
282.22147	1.2
283.20645	0.4
292.20523	1.2
310.21613	6.1
312.32559	17.0
328.22620	5.5
338.21091	0.9
340.47922	0.4
356.22171	6.4
356.35135	1.7
357.20676	0.6
374.23215	100.0
374.36349	44.7
375.23550	10.1
375.36206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
54.56782	0.4
54.58449	0.4
55.01849	0.8
57.03421	1.0
61.02903	1.4
69.03423	3.5
70.19164	0.4
71.18723	1.2
73.02913	0.8
79.05488	2.3
81.03394	1.3
85.02895	10.9
91.03926	0.9
91.05476	2.1
93.07025	0.5
95.04915	1.2
97.02894	2.8
99.04434	0.5
99.98626	0.4
103.05447	2.1
105.07009	4.5
107.04938	45.2
107.08574	0.7
108.05244	1.2
109.02852	1.2
110.25988	0.4
115.05443	2.5
117.06992	1.0
117.50208	0.4
120.05709	1.6
127.03870	1.7
131.04997	0.6
135.08026	13.7
136.08366	0.7
137.05984	0.5
145.04953	2.4
145.07576	0.7
147.04387	1.1
163.07516	44.0
164.07872	1.3
165.05423	1.0
167.07056	2.8
180.07707	12.7
195.10138	100.0
196.10500	3.5
201.05434	0.5
218.14934	0.4
256.18613	0.4
281.17429	0.4
331.33362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
57.03434	0.6
58.17477	0.5
61.02911	1.2
65.03945	0.7
66.88013	0.5
69.03422	4.4
69.07053	0.6
71.09655	1.4
71.95897	0.6
79.05479	1.0
81.03389	1.7
85.02891	13.2
86.09645	0.7
91.05451	1.6
93.07024	1.0
95.04952	0.7
95.08606	0.9
97.02876	4.0
98.21404	0.7
103.05452	6.7
105.03341	2.5
105.07015	4.4
107.04234	0.7
107.04949	11.3
109.02872	2.0
109.06470	0.9
110.83459	0.7
111.04440	1.1
115.05435	1.4
120.05688	1.3
127.03888	2.2
131.04880	2.1
133.06467	1.0
135.08037	8.4
137.05928	1.1
139.03870	4.1
140.17914	0.6
143.77858	0.6
145.04947	2.6
147.04349	1.0
153.05388	0.6
154.06221	37.8
155.04907	0.7
155.06616	0.7
163.07532	29.6
163.35588	0.6
165.05534	0.9
167.07037	1.5
175.07552	0.9
180.07666	7.7
195.10141	100.0
196.10472	4.6
201.05428	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	374.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01865	0.7
55.05489	0.4
57.03399	0.9
58.06573	0.3
61.02901	1.3
67.05480	0.7
69.03408	2.9
69.07048	0.6
70.06571	1.1
71.04971	0.6
71.79661	0.4
72.08134	0.7
73.02891	0.9
74.23952	0.3
77.31615	0.3
79.05466	0.5
81.03397	1.5
81.07023	0.8
83.04969	0.6
83.54359	0.3
84.04488	0.5
84.08157	0.5
85.02888	9.2
85.06519	0.3
86.09689	2.8
87.04437	0.7
91.05464	0.8
93.07069	0.3
94.04163	0.5
95.04939	1.5
95.08610	0.4
96.08131	0.5
97.02863	3.5
99.04433	0.8
105.03360	0.4
105.07007	0.7
107.04903	0.8
107.08580	0.5
109.02863	1.1
109.06450	0.5
109.10094	0.6
111.04430	0.9
122.03605	1.9
123.04418	0.8
123.08054	0.7
124.07566	16.1
125.01521	0.4
125.07901	0.4
126.09145	0.8
127.01238	0.6
127.03881	1.9
133.10117	0.4
135.04355	0.7
137.05952	100.0
138.06296	2.7
138.09105	2.2
138.79845	0.3
143.04881	0.3
145.02814	1.0
145.04956	1.7
147.04414	0.4
153.05531	0.3
161.05981	0.3
163.07527	0.3
166.12242	0.7
167.06981	1.1
171.02049	1.2
172.02386	1.0
172.08772	0.5
173.01797	2.0
175.07510	0.5
176.10620	0.4
177.05461	0.9
177.09109	0.4
179.03360	0.6
180.03716	0.5
180.08655	0.9
182.08316	0.3
191.07019	0.6
193.15825	0.3
193.82698	0.3
194.11755	1.4
194.16135	0.5
195.10107	6.1
195.13773	0.5
201.01311	0.4
203.10524	0.3
212.12776	14.6
213.13058	0.8
224.04735	0.3
237.09087	0.6
243.08842	0.9
265.08517	0.4
267.06506	0.5
271.05386	0.5
279.10117	0.4
285.07446	0.3
297.11234	0.4
303.04865	0.4
309.11255	0.5
342.13190	0.4
374.07880	0.4
374.12366	0.4
374.18170	0.4
375.12756	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
56.24209	0.3
56.96556	1.5
65.03920	0.6
67.05501	0.6
69.03430	0.6
70.06576	1.8
70.27653	0.3
71.35795	0.3
71.77734	0.3
71.78206	0.4
72.08137	0.4
77.18935	0.3
79.05479	0.4
83.04963	1.2
84.04487	2.3
84.08126	0.9
84.32840	0.3
85.02883	1.0
86.09712	0.7
89.03910	2.2
91.05431	3.0
95.04958	1.0
102.05530	1.7
107.04939	1.0
108.08125	0.6
109.02914	0.5
111.04417	1.3
116.07082	3.1
117.03356	2.7
119.04924	14.2
123.01075	0.4
123.04391	1.0
124.03891	0.3
126.92269	0.3
127.03883	0.4
129.10207	0.4
129.61244	0.4
130.04958	0.4
135.04414	3.5
136.06252	0.3
138.05414	0.3
139.03908	0.4
139.94843	0.3
143.00163	0.7
145.01837	0.4
145.02768	1.9
147.04387	100.0
148.04765	1.9
152.07045	1.1
161.01202	1.6
163.03885	16.0
164.04279	1.7
165.05461	0.9
174.59213	0.3
177.05646	0.5
187.02750	0.5
189.00737	0.4
203.02234	0.7
212.09174	0.4
227.10193	0.9
237.00684	1.0
249.02873	0.4
255.01729	1.1
273.02817	1.1
339.10773	2.0
356.13461	0.6
374.14734	1.4
375.10422	0.9
381.46957	0.4
385.06702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01857	0.7
57.03413	0.9
61.02914	2.1
63.02380	0.4
65.88943	0.4
69.03421	3.4
70.06107	2.0
71.04990	0.6
73.02897	1.1
76.34251	0.4
81.03393	1.9
85.02891	16.4
87.04433	0.5
89.03900	3.0
91.03922	0.7
91.05446	0.5
92.63625	0.4
97.02870	4.1
98.20746	0.5
99.04403	0.5
109.02834	1.3
117.03367	13.4
127.03938	2.7
134.03578	1.1
135.04384	2.1
144.71346	0.5
145.02826	40.2
145.04916	3.6
146.03113	0.7
149.05960	6.5
153.05461	0.8
162.03133	0.6
163.03889	3.2
163.37625	0.4
164.04256	0.7
177.05441	100.0
178.05754	2.8
180.08627	2.2
186.05603	0.6
187.10999	0.4
195.06500	58.5
196.06790	1.4
223.60022	0.4
308.80148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.6
57.03424	2.3
57.07069	1.3
59.04989	1.8
61.02916	0.8
66.35126	0.8
67.05504	3.8
69.03422	5.3
69.07056	11.6
70.09659	4.8
70.22589	0.8
71.04986	9.3
79.05471	3.4
81.03407	2.2
81.07037	13.0
82.07359	0.9
83.04956	0.9
83.08601	6.5
85.02892	12.5
85.06512	2.3
91.05453	4.7
93.07031	13.3
95.04965	2.6
95.08590	17.5
96.08913	1.0
97.02876	2.0
97.06521	10.3
99.04441	1.6
99.08076	2.5
105.03395	1.5
105.07008	8.2
107.04956	1.1
107.08583	13.7
108.08920	0.8
109.02860	2.4
109.06487	7.9
109.10141	8.7
111.08096	2.7
111.11714	2.2
113.09669	1.1
115.07571	3.4
117.07050	0.8
119.08566	20.7
120.08887	3.7
121.10127	9.3
121.68303	0.8
123.08061	8.2
123.11694	18.3
125.09632	1.2
127.03914	1.6
131.04971	1.0
131.08582	0.9
133.10103	30.5
134.10495	1.7
135.11668	24.7
136.12079	0.9
137.05968	1.6
137.09613	7.5
137.13229	2.0
141.05397	0.9
141.12717	1.7
145.10130	1.1
147.11681	2.7
149.13232	16.8
153.05400	0.9
153.12733	3.4
155.10661	2.7
162.38374	0.9
167.07022	1.5
175.14795	45.9
176.15147	4.2
181.08519	0.9
193.08653	0.8
193.15854	45.8
201.05472	1.2
208.05910	1.0
211.16899	100.0
212.17174	2.5
231.81360	0.8
238.38524	0.8
253.09854	1.2
373.08313	1.0
373.16086	1.6
373.20908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
55.05500	0.6
57.07044	1.7
65.90718	0.5
67.05482	0.9
70.06574	4.4
70.91406	1.7
71.08605	1.1
73.56543	0.6
79.05462	0.9
81.07014	1.2
83.04943	0.9
87.04427	0.6
88.07613	4.0
91.05453	1.5
95.08595	0.8
105.03337	0.9
105.06991	1.3
106.08617	0.8
107.08628	0.7
109.06513	1.0
114.09106	1.6
121.02834	2.1
121.10072	0.7
132.10188	6.8
137.02304	0.8
150.11227	4.3
188.62532	0.6
218.09622	1.2
224.15201	0.6
235.06262	5.2
245.08325	0.6
247.06233	0.6
248.07086	0.7
249.07820	1.3
250.08487	1.0
256.11224	0.6
257.08414	0.8
258.09030	1.7
259.09753	0.9
260.07059	2.6
262.08600	1.4
263.05719	11.5
264.06363	1.6
266.08023	2.0
270.09293	3.2
270.12332	0.6
272.07028	2.0
272.10703	0.7
273.07816	3.7
274.08548	6.6
274.70642	0.6
275.09088	0.9
276.06561	1.5
276.10187	0.8
277.07285	2.6
278.08102	16.1
279.05383	0.6
284.10651	1.9
285.07831	3.0
285.11047	0.9
286.08609	7.0
286.12250	4.6
287.09387	5.6
288.06558	9.3
288.10156	46.0
289.07144	1.4
289.10480	2.6
290.07965	1.6
291.08795	1.3
292.09650	0.6
294.07556	1.5
296.10672	1.2
298.08582	5.5
299.09262	1.1
300.06622	1.1
300.10135	2.2
301.07376	5.3
301.10678	0.9
302.04538	1.2
302.08118	21.0
302.11682	2.6
303.08801	3.8
304.09668	3.8
306.11267	0.6
312.10074	5.4
313.10904	5.1
314.08066	1.7
314.11664	11.9
315.08929	10.8
315.12421	1.5
316.09641	100.0
317.10129	8.1
318.07751	0.9
318.11212	6.0
324.10190	1.4
326.08002	2.3
328.13239	4.6
329.10428	1.2
329.13995	1.1
330.07526	4.1
330.11209	13.8
330.14935	2.0
330.33588	1.3
331.08490	1.6
331.11963	35.8
332.12573	2.7
340.09662	5.8
341.10431	11.1
342.11154	5.8
344.09119	5.1
344.12766	0.9
345.09830	0.8
345.13535	2.6
346.10635	4.7
346.14380	8.4
347.15036	0.8
356.08319	1.2
356.12744	22.1
357.13394	1.7
359.11514	2.6
374.13828	75.3
374.36252	30.8
375.14194	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	373.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01860	1.4
55.05490	4.8
55.74060	1.0
57.03421	2.2
60.81504	1.1
67.05508	6.9
69.03417	6.7
69.07059	5.7
69.74604	1.3
70.06567	1.2
70.10069	5.7
71.04991	2.2
71.71391	1.3
78.39558	1.0
79.05487	2.8
81.03404	3.5
81.07049	7.7
81.07443	1.6
83.04963	3.9
83.08600	2.4
85.02889	17.6
85.06540	3.1
86.09691	1.4
91.05428	2.6
93.07018	6.4
95.04955	2.6
95.08587	15.6
97.02877	13.3
97.06502	3.3
97.10130	1.7
102.21497	1.0
105.07021	4.4
107.08580	8.1
109.02847	5.4
109.06516	4.0
109.10139	29.2
111.08079	8.3
113.09682	1.3
119.08566	31.8
121.10111	13.0
123.08039	10.7
123.11678	3.7
125.09615	1.9
127.03902	5.9
131.08597	1.2
133.10118	11.2
135.11670	16.9
137.05946	2.9
137.09595	23.3
137.13246	1.9
138.10350	2.1
139.11215	1.1
145.04932	2.3
147.08002	3.4
147.11679	4.3
149.13245	5.9
151.07565	1.1
151.11157	1.9
151.14754	3.5
165.09096	9.8
165.12717	2.7
165.16403	1.6
167.07074	1.6
175.14789	23.5
176.15137	1.3
177.05304	1.3
193.08528	5.3
193.15862	22.4
193.17538	1.6
195.17639	1.2
201.05470	1.1
211.09596	4.3
211.16901	100.0
212.17216	3.3
223.69601	1.1
253.09656	2.0
327.66748	1.2
337.12836	10.8
355.13919	1.4
373.16339	1.0
397.37384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2213
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
51.84302	2.2
55.03020	2.1
55.05486	6.5
59.02120	2.3
60.38110	2.2
64.40992	2.1
67.05495	15.7
69.03410	8.8
69.07050	13.9
71.04959	3.1
79.05481	3.1
80.38697	2.0
81.07037	18.0
83.04965	8.2
83.08614	5.4
85.02875	12.7
85.06522	3.5
93.07020	8.0
95.04967	2.2
95.08588	31.6
105.06985	10.7
107.08581	19.6
109.06481	10.4
109.10140	100.0
119.08561	39.5
121.10119	13.3
123.08041	15.7
123.11654	11.1
127.19406	2.2
129.07065	2.7
133.10101	22.6
134.05945	4.3
135.11671	95.4
136.11906	2.7
137.09586	17.7
147.08070	2.7
149.13251	5.4
151.11171	9.1
151.14801	9.5
157.06429	2.6
160.05211	4.1
165.16412	3.4
175.07523	15.7
175.14803	43.6
176.15256	3.1
178.67572	2.1
193.15854	58.5
201.05415	6.1
211.16893	95.4
211.18915	4.6
212.17235	3.2
219.06711	2.8
229.39693	3.0
265.51083	2.3
287.56201	2.2
300.58176	2.2
373.15671	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	373.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01234	0.9
53.03929	2.4
55.01861	14.1
55.05503	9.7
57.03418	4.0
57.07071	21.8
61.02908	3.3
61.43679	1.2
65.03937	1.9
67.05490	15.7
68.99776	5.5
69.03401	3.2
69.07050	22.0
70.38461	4.9
71.01337	4.6
71.04975	2.4
71.08620	28.6
73.02887	1.7
73.82092	1.1
79.05486	8.5
81.03430	5.3
81.03806	1.0
81.06595	1.7
81.07044	23.5
83.01315	3.4
83.04966	3.5
83.08611	6.1
85.02885	7.3
85.10172	17.1
91.05465	7.2
93.03381	4.1
93.07031	9.1
95.01312	2.7
95.04959	5.6
95.08591	23.6
97.02882	3.5
97.06521	3.6
97.10144	2.5
101.02366	1.8
102.71921	1.0
103.03930	4.9
105.06393	1.1
105.07013	6.2
107.04931	4.1
107.08586	3.9
109.02861	4.3
109.06496	1.7
109.10121	4.1
111.04451	5.7
113.02345	4.0
116.98450	1.0
117.07022	2.0
117.32005	1.1
119.08566	3.4
121.02837	4.5
121.06466	3.4
121.10108	3.1
123.04448	3.6
123.08017	1.6
125.02352	6.4
125.05972	1.4
127.03899	2.5
129.07024	1.7
131.08546	4.1
133.06462	2.1
133.10112	2.5
135.04420	2.2
135.08055	1.2
135.11674	6.0
137.02322	14.7
137.05936	1.4
137.13229	4.6
139.03876	14.2
145.06450	1.2
145.10109	1.8
147.11665	1.8
149.02327	5.7
149.05959	2.8
151.03900	5.0
151.07487	1.7
153.05486	2.3
153.12743	5.1
155.03377	14.8
155.14282	19.0
157.10097	1.3
159.08012	1.6
161.06070	1.2
161.13174	1.4
163.03922	3.2
165.05447	1.9
167.03358	5.7
167.07027	1.7
173.04457	14.0
175.07498	1.3
175.11070	1.2
181.04950	1.8
185.04433	8.2
189.00597	1.4
191.14310	1.3
193.08586	1.5
194.09367	3.2
203.05499	2.0
225.14886	4.7
239.16440	1.8
249.14928	1.7
255.15903	5.8
265.14395	5.7
265.18011	3.4
267.15884	7.9
273.14938	1.9
275.16272	1.2
281.13846	1.6
281.17441	2.1
283.15372	6.3
285.10031	2.7
291.15945	7.5
293.17380	14.0
295.15408	2.6
301.14481	1.5
307.15350	3.9
309.16888	18.8
319.15329	7.4
327.17972	100.0
328.18307	3.3
337.16418	24.8
338.16953	1.5
355.17575	9.9
363.53110	1.0
373.18542	9.5
382.58408	1.2
382.98727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01621	1.2
55.01863	15.4
55.02119	1.6
55.05500	9.9
57.03420	2.6
57.07065	28.6
61.02907	2.8
65.03915	2.9
67.05493	16.7
68.99778	4.4
69.03416	3.8
69.07059	22.2
69.65652	1.5
69.66058	6.2
71.01333	4.5
71.04973	1.9
71.08619	35.9
73.02892	1.8
79.05477	8.3
81.03410	4.7
81.07043	27.4
83.01318	4.7
83.04975	3.7
83.08599	6.0
85.02889	7.2
85.10162	18.8
87.04456	1.6
91.05453	6.8
93.03396	6.5
93.07022	8.2
95.01311	2.9
95.04950	5.9
95.08592	27.9
95.33960	0.7
97.02888	4.9
97.06513	4.6
97.10145	1.6
97.23987	0.8
99.04436	0.8
101.02386	1.1
103.03893	4.7
103.05436	1.2
105.03397	1.5
105.07006	4.1
107.04968	4.4
107.08596	5.6
109.02869	4.9
109.06512	1.2
109.10134	3.1
111.00774	2.6
111.04444	4.9
111.08073	0.9
113.02333	5.1
114.88445	0.7
115.05377	1.1
117.06999	2.4
119.04946	1.4
119.08546	2.6
121.02849	4.8
121.06435	1.8
121.10110	1.6
123.00817	1.0
123.04390	5.5
125.02331	6.8
125.05953	1.1
127.03905	3.0
129.01854	1.7
129.07024	1.8
131.04942	1.1
131.08569	2.4
133.06429	1.7
133.10060	1.2
135.04370	3.0
135.08034	1.4
135.11667	6.6
137.02309	18.3
137.05954	1.8
137.13239	4.2
139.03888	15.0
141.01822	1.8
143.03326	1.4
143.08562	1.0
145.06488	1.4
145.10133	1.2
147.04388	1.6
147.08060	1.4
147.11644	0.9
149.02330	6.3
149.05974	2.3
149.13181	1.3
151.03888	6.5
153.01839	0.9
153.05467	1.5
153.12714	8.1
155.03369	16.2
155.08546	0.9
155.14281	18.0
157.10117	1.1
159.04398	1.3
159.08047	0.8
159.11725	1.0
161.05899	1.3
163.03871	2.1
163.07559	2.2
163.14803	1.1
165.01805	1.7
165.05452	1.7
167.03423	6.2
169.04886	0.8
171.08031	1.3
173.04431	16.3
173.05869	1.7
173.09540	1.3
173.13222	1.3
175.03871	1.2
175.07524	1.1
177.05411	1.6
177.12802	1.3
179.03374	1.7
179.07018	1.1
181.04886	1.7
185.04420	10.5
187.03885	2.4
189.12790	1.3
191.06937	1.0
191.14252	0.8
193.04922	1.4
193.08492	1.0
197.15306	1.0
201.12637	1.1
203.03526	1.3
203.05466	3.2
204.04185	1.9
209.15323	0.9
211.02432	0.9
219.06482	8.2
219.13776	1.8
225.14832	4.6
235.13228	1.0
237.07454	0.8
239.16422	1.2
245.11662	1.1
245.15421	1.2
249.14815	2.4
251.09219	1.3
255.02745	1.3
255.15930	5.9
263.12723	1.9
263.16394	1.5
265.14249	5.1
265.17950	3.0
267.15967	9.6
273.14835	2.3
275.16519	0.9
281.13770	3.1
281.17325	1.6
283.15421	6.6
290.02313	1.0
291.15820	7.8
293.17416	12.0
295.15381	2.3
301.14139	1.1
307.15247	5.7
309.16907	20.2
319.15411	5.7
327.17960	100.0
328.18359	4.7
337.16400	25.6
355.17441	13.9
373.18655	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	373.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	4.1
55.01869	2.6
55.05488	5.1
65.03906	5.8
67.05495	17.0
69.03415	48.2
69.30234	1.8
69.89359	9.4
69.89774	3.2
70.06580	2.8
70.36105	1.8
70.51789	2.0
72.08130	3.4
73.04766	3.0
79.05467	7.1
80.31190	1.8
81.04521	3.2
83.04962	55.7
84.08133	3.4
85.02888	13.9
87.00819	3.8
89.03922	2.7
91.05760	6.9
93.03387	16.6
95.04951	74.9
97.02895	6.4
98.20567	2.1
101.06004	4.0
107.04934	28.9
111.04419	100.0
115.03919	3.6
117.03362	2.9
121.02863	7.6
123.04386	5.5
123.05505	3.8
129.05453	86.5
135.04385	58.2
136.06160	4.2
137.02342	4.5
137.06001	2.6
138.02719	2.3
139.03871	66.0
145.02840	2.1
147.04475	3.8
147.06497	81.1
153.05429	28.1
157.04947	59.9
157.05937	1.3
163.03883	26.0
164.04346	2.5
165.07596	3.2
175.05974	10.5
181.04945	28.1
193.07043	88.0
194.07362	2.8
209.04329	3.5
215.55309	2.1
216.43951	2.0
227.07072	2.3
246.97461	2.7
265.05676	1.9
281.10117	2.6
291.08447	3.4
319.08170	2.4
337.09061	3.6
355.10229	4.7
373.00500	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	372.31
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76299	1.0
52.64767	1.0
53.03948	1.0
55.05498	4.4
57.07063	13.5
57.28581	0.9
60.19064	0.9
67.05498	8.5
69.03425	2.4
69.07053	4.0
70.06573	1.4
70.40444	3.8
71.08622	17.4
75.04465	2.0
79.05473	6.1
81.03390	1.5
81.07039	14.0
83.08604	2.0
85.06499	1.3
85.10172	8.5
87.04459	21.0
88.07630	3.4
91.05465	15.5
93.07040	9.5
95.04964	2.7
95.08581	14.2
105.07014	33.2
106.07350	1.5
107.08566	7.3
109.06549	2.3
109.10162	3.5
111.04460	2.0
117.07005	2.8
119.08542	2.9
121.06471	1.1
121.10130	7.8
131.08554	7.4
133.10104	76.3
134.10449	1.8
135.11662	1.3
138.78880	1.0
145.10121	1.6
147.11613	2.2
148.99011	1.2
149.09641	1.8
155.14275	9.8
159.11700	1.6
160.07503	1.2
163.10938	1.1
173.11703	1.8
265.21680	2.2
283.26324	1.2
285.25613	5.7
286.19949	0.9
303.26770	100.0
304.27066	3.9
371.40482	1.0
372.30975	13.9
372.34872	3.3
372.38568	1.5
373.18750	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67917	0.5
55.05517	0.8
57.06826	0.6
57.07060	3.7
57.69177	0.5
59.04992	100.0
60.05309	0.8
67.05496	1.6
71.08620	5.0
71.58048	1.2
79.05502	2.2
79.51321	0.6
81.07057	2.9
85.10175	3.5
91.05483	2.0
95.04965	0.7
95.08595	4.1
103.54207	0.6
105.06994	1.2
107.08572	3.2
109.06499	0.8
128.08821	0.5
128.58778	0.6
137.09616	0.6
155.14310	3.4
163.24963	0.6
365.70941	0.6
373.18564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.2
55.91241	0.9
57.07063	11.6
59.04989	100.0
67.05495	7.3
69.03431	1.1
69.07056	9.4
69.65156	1.9
69.65563	7.8
70.06563	1.1
71.04981	18.6
71.08627	11.4
79.05475	2.9
81.07040	13.3
83.08604	2.8
85.10169	5.9
87.04464	6.0
91.05444	2.4
93.07013	2.3
95.04935	1.4
95.08594	12.9
97.06489	4.3
105.07016	4.8
107.08581	5.1
109.06514	2.1
109.10135	3.5
115.07572	6.9
119.08568	3.1
121.06542	1.2
121.10143	2.9
123.08040	1.6
123.11701	1.3
131.08498	3.4
133.10052	1.8
135.08040	2.3
135.11714	1.4
137.09598	2.1
137.13304	1.3
145.10109	1.5
149.09607	3.2
149.13252	1.3
155.14258	9.7
177.12723	9.1
207.20976	1.1
213.18480	1.1
223.20438	1.2
245.07269	1.1
253.21519	2.0
319.26343	1.1
321.27930	1.1
372.30859	2.4
373.12906	1.9
373.18530	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	372.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21899	0.4
55.71729	0.4
60.48963	0.3
67.05494	0.4
69.96722	2.5
70.06569	0.4
72.02422	0.4
73.04742	0.7
77.52277	0.4
79.05460	1.0
83.04962	0.9
85.02908	0.4
86.09670	0.6
89.03900	4.8
91.05795	3.3
95.04944	2.1
96.05315	0.4
98.21460	0.4
105.03383	0.5
105.07005	1.5
107.04962	1.8
107.05554	0.4
111.04409	1.2
117.03349	6.9
122.09623	0.7
123.04407	1.0
124.04745	0.5
129.05418	0.9
133.02826	1.1
134.03160	1.2
135.04399	15.5
136.04648	0.5
136.06192	0.7
137.52655	0.4
139.03856	0.6
145.02820	10.2
146.40038	0.4
147.06476	1.0
152.04228	0.6
157.04965	0.6
161.02319	1.1
162.02647	1.4
163.03876	100.0
164.04236	3.2
179.03357	1.6
180.03711	1.7
181.04890	1.4
193.07054	1.0
197.04343	0.5
233.25208	0.4
237.00772	0.7
250.09305	0.4
269.97647	0.6
285.00864	0.5
286.00964	0.7
347.27692	0.4
356.06866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.7
55.01857	4.5
55.05507	9.6
57.03418	1.7
57.07067	28.1
59.04982	2.0
65.03918	2.9
65.41512	1.1
67.05495	20.1
69.03408	2.3
69.07059	21.1
69.63672	9.9
70.06558	2.1
71.04968	2.8
71.08618	32.8
73.02896	1.5
79.05482	13.2
81.03407	4.2
81.07043	27.0
83.04958	5.8
83.08615	6.4
85.02868	1.6
85.06503	1.7
85.10172	16.9
91.05423	6.5
93.03395	11.5
93.07040	10.1
95.01308	1.4
95.04955	13.9
95.08590	23.4
97.02869	4.5
97.06522	8.0
103.05407	1.1
105.03374	13.4
105.07024	6.8
107.04942	12.1
107.08572	8.4
107.72962	1.4
109.02849	3.0
109.06483	1.3
109.10146	2.4
111.04424	8.0
111.08068	1.5
113.05992	1.5
113.28415	1.1
115.05457	1.5
117.06984	3.7
119.08549	2.5
121.02846	11.0
121.06481	3.7
121.10085	2.1
123.04411	7.8
125.02315	2.1
127.03880	1.4
129.06976	1.7
131.04922	1.3
131.08533	3.3
133.06494	1.3
133.10077	2.5
135.04373	4.0
135.07974	1.9
135.11674	14.9
137.02306	5.1
137.05966	2.3
137.13202	2.3
139.02840	1.7
139.03888	27.6
140.04221	2.1
141.01746	1.3
145.06386	1.9
145.10054	2.2
147.04399	1.8
147.08029	2.2
149.02335	12.2
149.05983	4.9
149.09598	1.5
149.13176	1.6
153.05380	1.4
153.12717	13.4
155.03374	4.4
155.14281	9.8
159.11710	1.7
163.03889	3.6
163.07538	1.9
167.03362	4.9
173.04437	1.3
173.13277	2.6
175.03864	1.2
175.07487	1.8
177.05402	1.9
177.12750	2.2
181.04900	1.5
184.07556	1.2
185.04422	25.6
187.39667	1.2
191.14346	1.8
201.12715	1.8
218.08090	2.5
219.06271	1.6
237.07596	3.2
238.08670	2.0
247.16881	5.9
251.09196	2.3
255.13559	1.5
265.14413	8.2
265.17917	13.0
266.18222	1.5
273.14737	2.7
275.16354	3.3
283.15326	5.4
291.15808	3.5
293.17416	38.3
294.17773	2.6
300.23138	9.7
301.14380	2.1
309.16867	4.3
319.15341	11.7
320.15808	1.5
327.17859	7.6
337.16385	71.7
338.16544	5.8
343.08035	2.1
354.33469	1.7
355.17471	100.0
356.17801	10.5
372.12622	5.8
372.16925	1.2
372.21564	2.1
372.34503	1.4
373.12512	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	371.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.05510	18.1
57.03425	3.2
57.07066	14.8
57.98726	3.2
59.04999	2.8
67.05496	25.5
67.42219	3.3
69.03410	3.5
69.07056	20.0
71.07629	9.2
71.08614	5.3
76.53162	3.0
78.92428	3.4
79.05482	26.7
81.07039	38.7
83.04977	19.7
83.08610	9.2
85.75368	3.0
91.05452	36.0
93.07027	100.0
95.04958	19.9
95.08599	52.9
97.06519	27.3
101.06015	11.6
105.03381	25.2
105.07006	61.6
107.08586	37.7
108.08956	3.5
109.06524	7.0
109.10150	30.0
111.04449	7.1
115.05414	3.5
116.88284	3.2
117.03369	3.8
117.06988	11.7
119.08561	75.0
121.06509	5.9
121.10126	35.3
123.08077	9.3
123.11685	9.8
123.82511	2.7
129.05516	5.7
129.07004	7.0
130.07770	4.1
131.08540	30.2
133.10120	49.0
135.08047	11.4
135.11728	14.9
137.09618	4.4
139.07523	58.7
141.06989	5.8
142.07764	9.2
143.08540	22.3
144.09337	4.0
145.02829	8.7
145.10106	43.6
147.06494	8.9
147.11688	15.0
149.09636	8.6
155.08542	9.3
156.09370	9.3
157.10100	39.4
158.10883	7.6
159.11674	36.2
161.09613	8.7
161.13277	8.5
163.11168	6.4
165.09132	8.4
169.10115	11.3
170.10825	3.6
171.11697	14.2
173.09625	4.0
173.13257	27.9
175.11182	4.5
175.14789	25.0
177.05450	11.0
182.10919	5.9
183.11661	11.9
184.12444	4.4
185.13251	10.7
185.14758	2.9
187.11174	7.0
187.14821	23.7
189.16409	7.1
194.10902	3.9
195.11711	13.4
197.13272	8.1
199.14896	11.1
201.16409	6.5
205.12222	5.0
207.11705	4.1
209.13217	10.2
211.14757	4.6
213.12793	14.5
215.03401	12.5
216.03891	3.1
217.12129	4.0
221.13191	4.9
223.14742	5.7
225.16347	4.6
230.05820	6.8
231.13715	5.3
235.14870	5.7
237.16490	3.6
239.17830	4.0
265.19473	7.7
268.26349	10.4
343.18930	32.7
353.24725	5.4
367.89380	2.9
371.10944	4.4
371.26016	14.4
372.34683	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05496	3.2
56.59899	1.1
57.03411	2.7
57.07058	1.9
58.40950	1.4
59.04985	1.7
61.02911	4.4
65.03912	2.1
67.05489	5.5
67.05843	1.1
69.03416	13.0
69.07047	1.3
69.95131	2.7
69.95541	6.6
70.06568	5.3
71.04976	5.4
71.08629	1.8
72.08140	1.6
73.02898	2.1
73.04743	2.8
79.05473	6.4
81.03400	3.8
81.07027	4.3
83.04967	9.6
85.02886	28.4
85.06525	3.1
86.03241	1.3
87.04457	1.5
89.03902	5.8
89.05997	2.3
91.05849	12.6
93.03398	1.5
93.07034	5.7
95.04951	47.7
95.08584	3.1
96.05279	1.9
97.02873	10.1
97.06502	3.3
99.04428	11.0
101.06000	3.1
101.08077	1.2
105.03350	4.1
105.07012	24.4
107.04939	5.8
107.08595	8.9
109.02876	3.1
109.06475	2.9
109.10139	2.9
111.04416	11.4
111.08064	2.4
112.04739	3.1
117.03367	5.5
119.08562	15.5
121.10124	100.0
122.10455	2.4
123.03584	2.5
123.04408	20.0
123.08057	3.4
123.11680	2.7
124.03933	1.6
127.03909	4.3
129.05438	7.7
131.08546	17.2
133.02844	16.9
133.07591	2.1
133.10115	17.4
134.03148	3.9
135.04408	16.3
135.08038	5.0
135.11673	5.3
137.02318	2.8
137.05937	1.4
139.03859	4.5
140.04210	1.4
145.02809	9.5
145.04926	4.3
145.10089	4.2
147.06511	5.7
147.11661	20.9
149.09613	2.4
149.13228	2.8
151.03899	8.7
152.04256	1.6
153.05417	5.4
153.09090	14.6
157.04866	2.8
158.10921	1.6
161.02336	20.9
162.02681	3.6
163.03879	79.5
163.14812	4.6
164.04248	1.9
167.06943	2.0
173.13231	38.1
174.13605	2.3
175.06032	2.3
179.03375	45.0
180.03719	16.3
191.10623	2.0
191.14282	57.6
192.14566	1.7
195.06424	1.9
197.04428	6.4
198.09035	2.0
203.03336	2.0
209.15332	22.1
210.11244	4.3
239.08218	3.7
268.97739	3.7
282.47543	1.4
285.00937	4.2
287.21136	1.3
303.02005	2.0
355.06851	3.8
364.73077	1.6
371.16907	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	371.2058
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03938	0.7
55.01846	0.6
57.03424	0.8
61.02911	0.9
65.03940	0.7
67.05484	1.5
69.03426	2.4
69.79337	2.8
70.06564	0.5
71.04980	5.3
73.02923	0.5
75.61262	0.4
81.03397	1.6
81.07037	1.2
83.04944	1.3
83.08611	0.5
85.02888	8.4
85.06522	1.0
87.04443	0.4
89.06008	1.0
91.03941	0.9
93.07010	2.0
95.04951	100.0
96.05290	1.4
97.02336	0.5
97.02874	3.0
99.04441	23.7
99.08089	0.6
101.05988	0.6
105.07000	0.8
107.08576	1.1
108.12977	0.4
109.02882	1.0
109.06498	1.1
109.10149	1.2
111.08096	0.8
119.08607	0.8
121.06512	0.5
121.10149	1.0
123.07998	0.5
125.09548	0.4
127.03905	1.5
129.05444	0.4
131.08556	0.7
133.10124	4.8
135.08081	0.6
137.09621	0.9
139.11151	0.5
143.08598	0.6
145.04964	1.6
147.11714	0.8
149.09605	0.4
149.13184	0.5
151.11188	1.3
153.09084	34.4
154.09460	1.0
163.03864	0.6
163.11121	0.5
163.14845	0.7
167.07104	0.4
173.13213	4.4
175.14772	0.7
191.14273	5.1
193.15910	0.9
195.95782	0.4
209.15334	36.3
210.15732	1.5
268.05548	0.9
355.06592	0.6
371.16687	3.6
371.20651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.7
55.01855	1.3
55.05485	1.5
57.03416	2.1
57.07060	0.8
59.04989	0.5
61.02901	2.4
67.05482	2.3
69.03419	10.1
69.07040	2.0
71.04971	1.5
71.80772	1.1
73.02889	1.3
79.05470	2.4
81.03402	6.2
81.07045	3.5
83.04970	2.7
83.08563	0.6
85.02889	22.0
87.04440	1.1
91.03925	0.7
91.05443	2.7
93.07014	1.7
95.04955	3.5
95.08585	4.9
97.02879	7.4
98.65620	0.5
99.04439	1.4
99.08044	0.6
101.29113	0.6
104.86113	0.5
105.07029	3.0
107.04911	1.3
107.07890	1.1
107.08572	12.9
109.02852	1.6
109.06493	6.0
109.10100	2.4
110.17655	0.7
119.08539	2.0
121.06469	1.3
121.10116	9.3
121.47781	0.5
122.07236	0.9
123.08064	3.9
123.11684	3.0
125.09595	0.7
127.03893	5.0
129.05515	0.6
131.08508	1.3
133.10101	7.5
134.10420	0.6
135.08015	4.5
135.11655	0.9
137.09596	11.2
137.13208	1.0
143.08629	0.6
145.04935	4.1
145.10114	1.0
147.04398	1.2
147.06618	0.5
147.11671	1.8
149.09610	7.1
149.13234	4.6
151.11156	13.6
158.10829	1.0
163.14792	1.3
165.12732	38.2
166.13062	1.2
173.13263	3.9
191.14272	17.9
192.14661	1.0
193.15784	1.1
209.15331	100.0
210.15671	4.6
212.82211	0.6
385.77966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2058
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
61.02911	1.4
64.71912	1.4
69.03411	4.4
69.07063	1.6
70.34622	5.1
79.05490	2.5
81.07033	6.6
88.01598	1.1
91.05467	2.8
93.07018	2.5
95.08618	1.8
98.20770	1.6
100.01934	1.5
105.07003	6.0
107.08580	15.4
109.06484	4.6
109.10114	5.2
117.06992	2.1
119.08549	2.2
121.10118	11.2
122.07264	3.6
131.08549	2.4
133.10104	100.0
134.10457	3.5
135.08023	10.2
135.11671	1.7
137.09599	47.7
149.13213	13.5
163.14769	2.3
173.13260	4.3
191.14293	40.5
192.14607	2.1
193.68358	1.4
209.15266	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	371.2059
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03932	3.6
53.60019	0.8
55.01851	3.7
55.05498	3.4
57.03426	8.1
57.07057	1.4
59.04981	1.3
59.96442	0.8
60.00675	0.7
61.02918	13.2
65.03925	0.9
67.05487	3.6
68.49702	0.7
69.03418	32.3
69.07049	10.4
69.47516	8.7
70.06584	1.1
71.04980	3.8
73.02896	6.3
79.05477	3.2
81.03404	12.9
81.07043	6.6
83.01347	1.1
83.04962	2.7
83.08592	2.6
85.02891	89.5
85.06509	0.7
86.03216	1.9
87.04459	7.9
91.03938	5.4
91.05376	3.9
93.07026	5.8
95.04379	1.3
95.04951	18.3
95.08593	6.4
96.00120	1.0
97.02878	32.0
97.06492	5.0
98.21397	1.4
99.04444	6.9
99.08079	0.8
101.05968	1.8
105.07040	4.7
107.04924	2.0
107.08566	7.7
109.02866	9.1
109.06499	7.5
109.10117	2.8
111.04404	1.8
111.08062	1.1
114.87471	0.8
115.03896	1.6
119.08538	4.5
121.06496	5.7
121.10128	5.6
122.07311	3.9
123.04425	1.4
123.08045	18.9
123.11744	1.4
127.03894	25.1
128.04176	0.8
129.05453	2.4
129.07002	0.7
131.08560	1.0
133.10109	5.6
135.08032	32.2
135.11693	3.3
137.05945	3.8
137.09587	1.8
139.07526	1.8
145.04941	37.2
145.10074	1.3
147.04358	1.4
147.06516	3.0
147.11653	6.9
148.08794	2.0
149.09575	2.7
149.13234	1.9
151.03896	2.3
151.07544	1.0
151.11246	1.0
153.05447	1.4
159.08035	1.3
161.13239	1.0
163.06039	4.0
163.14899	1.7
165.05522	0.8
165.12730	61.0
166.13057	1.6
167.07045	4.0
171.06523	1.0
173.13231	1.8
175.07570	1.9
175.14786	3.0
176.11958	2.6
177.05405	1.1
177.12793	1.8
181.04918	4.7
181.08620	0.9
181.23718	0.9
187.07489	1.4
189.07471	0.8
189.09109	1.5
191.14281	100.0
192.14592	3.8
193.12170	1.3
193.15880	9.4
201.09036	1.0
203.17812	1.0
207.13759	2.6
209.15340	14.8
217.08624	2.1
219.10193	1.3
234.98883	1.3
261.09070	0.8
277.08472	1.4
285.00922	0.8
307.09668	1.5
309.16937	3.1
327.17892	3.4
335.25546	1.1
353.09909	1.8
353.13828	1.3
371.20587	73.1
372.20877	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03933	0.5
55.01861	2.0
55.05493	1.5
56.02836	0.5
57.03418	0.8
57.07066	0.5
61.02888	0.7
67.05494	0.6
69.03413	3.4
69.07055	3.0
70.91094	1.5
71.04983	0.7
71.08619	0.5
71.97307	0.5
73.02882	0.6
74.84089	0.4
76.42774	0.4
79.05455	2.5
81.03382	1.0
81.07030	3.2
83.04950	1.2
83.08613	0.8
85.02885	5.9
85.06513	0.6
86.09696	0.5
86.85072	0.4
91.05378	2.5
93.07022	6.6
95.04951	1.5
95.08597	3.8
97.02872	2.0
97.06505	1.1
99.04407	0.5
101.05988	1.0
101.31726	0.4
105.06997	4.9
107.04903	0.6
107.08572	11.2
109.02859	1.0
109.06482	1.0
109.10110	0.6
111.08060	1.3
115.05434	0.6
117.06982	1.6
119.04939	1.1
119.08545	4.7
121.06467	4.3
121.10122	4.6
123.08036	1.1
125.09560	1.1
127.03887	1.3
129.05450	0.9
131.08554	5.2
133.10104	6.7
135.08028	5.9
135.11684	1.8
137.09579	0.7
143.08572	0.9
143.82755	0.6
145.10112	3.1
147.06488	0.7
147.08023	2.4
147.11655	27.9
148.12001	1.6
149.09592	8.9
149.13220	10.7
150.13628	0.6
153.09088	0.8
158.10811	0.8
159.07947	0.5
161.09598	1.0
163.11148	1.6
163.14789	1.6
173.13229	11.9
176.11900	2.2
189.12738	1.6
191.14270	92.4
192.14589	4.4
207.13730	0.4
208.78909	0.4
209.15327	100.0
210.15701	3.5
335.18634	0.5
353.19562	0.6
371.12097	0.5
371.16681	1.8
371.20648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.7
55.18407	2.1
61.02929	2.5
65.51221	1.9
67.05499	4.6
69.03432	12.8
69.07040	5.3
69.84657	4.1
69.85072	14.0
71.04983	11.0
79.34086	2.2
81.07036	8.0
83.04958	12.7
83.08638	5.1
85.02897	14.9
85.06516	2.2
91.05447	3.5
93.07032	9.0
95.04956	99.3
95.08593	19.9
95.94724	2.3
96.05268	3.3
97.02886	8.4
97.06528	4.2
98.20699	2.2
99.04433	24.9
99.05045	2.4
99.08090	4.9
105.07033	5.8
107.08578	27.8
109.06512	6.2
109.10139	14.9
110.34686	1.9
111.08059	2.2
119.08575	3.7
121.06512	5.0
121.10129	30.0
123.08062	4.5
123.11732	2.3
125.09624	11.5
125.25382	2.2
131.08597	5.8
133.10118	17.1
135.08038	12.9
135.11694	4.8
137.09564	4.6
139.11151	5.8
145.05003	3.1
145.10060	2.5
147.11661	9.0
149.09595	7.8
149.13248	18.1
151.11165	74.6
152.11508	3.8
153.09091	32.1
163.14786	14.2
165.12740	8.5
173.13245	15.6
191.14287	81.4
192.14616	3.6
209.15344	100.0
210.15753	5.4
287.86014	2.3
340.91681	2.1
370.79639	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2055
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03927	0.4
53.33347	0.4
55.05504	3.4
57.03413	0.4
57.07062	0.8
61.02915	1.0
67.05482	0.8
69.03407	2.7
69.07027	0.6
70.06587	1.0
71.04958	0.4
71.76891	1.0
73.02923	0.5
79.05457	1.4
81.03402	0.9
81.07059	1.8
83.04949	1.3
83.08598	1.2
84.08136	0.5
85.02891	5.6
85.06513	0.5
86.09690	0.7
90.53951	0.4
91.03959	0.6
91.05372	0.5
91.05803	1.3
93.07025	2.5
95.04942	0.9
95.08582	0.9
97.02866	2.1
97.06502	0.6
99.04446	0.4
100.07580	0.4
100.11233	4.3
101.05991	1.3
105.07011	2.0
106.07291	0.4
107.04961	0.7
107.08575	2.9
109.02853	0.7
109.06489	1.0
109.10125	1.5
111.04411	1.5
117.07000	0.7
119.08587	0.9
121.06465	0.5
121.10111	3.7
122.07204	0.6
123.08031	1.1
126.12735	0.4
127.03899	1.3
129.05444	1.0
131.08557	0.8
133.10106	11.6
134.10533	0.5
135.08022	2.1
135.11603	0.5
137.09598	7.7
145.04962	0.8
145.10100	0.7
147.06500	2.0
147.11656	0.7
149.09590	100.0
149.13229	1.4
150.09941	4.8
151.11089	0.4
155.07054	0.5
163.14755	0.5
167.07027	0.7
173.13232	1.7
182.15378	1.0
191.14273	13.9
192.14651	0.4
208.02989	0.3
209.15314	19.2
210.15082	1.6
223.07553	0.7
227.17575	0.5
241.08780	0.4
250.08650	0.7
253.08383	0.4
266.08069	0.6
275.05124	0.4
276.72794	0.9
282.11179	0.4
285.00909	0.8
285.07541	1.1
294.07666	0.4
298.74030	0.7
310.10809	0.6
340.25885	0.8
343.30536	0.6
353.14423	0.5
354.09766	3.5
355.06918	0.7
362.27148	2.2
362.77808	0.7
371.15649	0.5
372.10638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	17.2
55.05495	38.1
57.07063	61.5
67.05492	64.6
69.07043	48.5
71.03971	16.0
71.04980	67.9
71.08621	73.2
75.04456	6.2
79.05471	30.5
81.07044	100.0
83.04960	26.7
83.08597	19.9
85.10181	30.9
89.06016	6.6
91.05466	27.3
92.40425	5.8
93.07030	39.3
94.52487	6.0
95.04939	31.0
95.08582	90.5
97.06499	14.4
97.10146	9.8
99.04448	7.5
105.07003	34.4
107.08579	23.3
109.06520	15.1
109.10124	33.8
114.12923	6.1
119.08567	19.2
121.06432	6.4
121.10101	13.2
133.10104	14.5
137.09573	22.2
138.88489	6.0
145.10092	9.9
147.11617	11.0
149.13261	10.0
151.14827	7.9
155.14272	17.7
175.14806	11.5
183.17397	8.2
191.58086	7.0
219.21100	9.2
237.18456	7.7
239.20085	44.4
263.20285	6.7
265.21667	8.4
287.16251	10.5
357.68802	7.7
370.40262	40.3
371.25623	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	370.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.6
51.19078	0.5
53.03930	0.7
54.31593	0.4
55.05482	1.6
65.03931	2.9
65.33997	0.4
67.05491	5.7
68.99792	1.2
69.03416	3.3
71.31609	1.1
74.85844	0.5
77.03921	1.1
78.96597	0.4
79.05462	1.2
81.03400	0.8
83.04963	13.3
85.02891	4.4
93.03377	5.6
95.04952	7.3
97.02840	0.9
105.03373	7.0
105.54638	0.5
107.04930	18.1
109.02842	1.3
111.04417	17.4
111.05067	0.4
115.03876	0.4
121.02840	3.0
123.04411	8.8
129.05443	9.4
133.02823	29.6
134.03590	0.8
135.04396	1.0
139.02834	1.0
139.03865	13.4
147.04436	1.2
151.03879	15.2
153.05348	0.7
157.04935	11.6
161.02312	17.6
163.03882	1.5
175.05998	9.8
178.05771	0.6
179.03357	100.0
180.03667	1.8
203.05534	1.3
208.09660	0.9
208.14091	0.5
353.08560	4.2
371.16531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45062	1.2
53.03921	3.3
57.03418	1.9
61.02905	2.5
69.03417	13.8
71.04971	4.2
71.19324	3.6
73.02896	2.5
74.01509	1.2
77.22533	1.0
81.03400	12.1
83.04956	1.7
85.02889	76.7
95.04958	1.3
97.02873	24.5
99.04443	37.7
99.32324	1.2
103.03925	86.8
104.04263	1.6
107.04949	1.2
109.02863	16.6
110.05936	1.2
111.04421	2.1
123.04388	2.5
127.03891	100.0
128.04221	1.9
129.05481	1.2
133.02852	2.8
139.03847	1.9
145.04932	69.5
146.05260	1.5
151.03818	1.1
161.02283	2.6
162.05402	1.8
163.05994	59.1
164.06261	1.8
169.04953	1.5
175.06131	1.2
179.03375	12.8
181.84302	1.0
187.05917	5.4
205.07034	3.2
208.05994	2.5
233.10229	1.4
271.08023	10.8
289.09058	10.9
307.10190	13.1
335.13138	5.4
355.06342	1.3
377.64053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.05489	1.5
57.16268	0.5
59.57412	0.5
65.03915	1.8
67.05485	6.3
68.99770	0.9
69.03421	3.8
69.07082	0.5
69.10597	0.5
70.06591	0.6
70.54057	1.9
77.03896	0.9
77.07445	0.5
79.05473	1.8
81.03371	0.7
81.07053	0.6
83.04498	1.0
83.04964	13.8
84.05304	0.5
85.02889	3.5
93.03381	5.3
95.04948	7.5
96.10419	0.5
97.02866	1.0
98.20785	0.6
103.56074	0.4
105.03358	6.3
105.07030	0.6
107.04934	16.2
107.08531	0.9
109.02849	1.5
109.06464	0.5
111.04419	20.1
121.02910	2.6
121.03605	0.6
121.10138	0.6
121.47801	0.5
123.04398	8.0
124.03899	0.9
125.09608	0.9
127.03874	0.5
129.05450	9.2
132.48901	0.5
133.02824	26.5
134.03491	0.7
135.04381	0.8
135.08018	0.8
139.03871	12.3
142.71394	0.5
149.09564	0.9
151.03870	14.8
155.86880	0.5
157.04939	11.9
157.06166	0.9
161.02306	17.6
163.03876	0.6
173.13229	1.4
175.04550	1.0
175.05977	9.5
179.03358	100.0
180.03731	3.1
185.79271	0.5
191.14223	4.8
203.05531	1.6
208.09688	0.6
209.15358	4.8
242.65381	0.5
254.09361	0.5
353.08621	4.5
371.20810	1.2
389.73331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28598	1.8
53.03926	7.7
54.14220	1.8
55.01860	35.5
55.05499	14.2
57.03416	2.3
57.07064	71.5
59.04993	2.1
65.03917	4.2
66.23347	1.6
67.05496	34.8
69.03397	1.9
69.07056	28.0
70.06587	2.1
70.07363	1.9
70.90315	5.3
71.04945	2.5
71.08617	100.0
79.05484	13.3
81.03399	16.2
81.07040	76.7
82.07375	1.6
83.01309	2.9
83.04961	5.3
83.08589	10.4
85.02880	4.4
85.06522	4.6
85.09658	4.0
85.10165	62.0
91.05469	11.1
92.89375	1.9
93.03386	3.7
93.07030	12.7
95.01264	2.5
95.04941	10.5
95.08588	85.0
97.02885	4.6
97.06537	1.8
97.10132	3.4
97.34103	1.7
101.02358	2.5
105.07013	9.6
107.04931	5.5
107.08576	5.6
109.02859	30.5
109.06499	5.4
109.10120	7.0
111.00789	4.9
111.04417	8.4
117.06989	3.8
119.08551	7.9
121.02855	6.6
121.06484	4.3
121.10124	4.0
123.00777	3.0
123.04410	9.8
125.02339	5.1
125.05995	2.1
127.03944	13.8
128.06213	3.1
129.06995	2.6
131.08476	4.4
133.06508	3.2
133.10146	4.2
135.04370	5.8
135.08020	3.4
135.11679	3.0
137.02306	30.4
137.05930	3.0
137.13229	12.6
139.03865	15.9
141.01788	4.1
143.08548	2.0
145.10106	3.2
147.08012	2.6
147.11656	4.5
149.02316	6.8
151.03879	4.8
151.07515	1.9
153.05380	2.8
155.03360	13.4
155.14282	85.5
156.14651	3.6
159.04379	1.9
159.08026	3.2
159.11708	3.1
161.05994	2.2
161.09586	3.6
161.13301	2.2
165.01825	9.8
167.03368	5.9
169.04926	28.2
169.10072	2.0
173.13231	3.4
175.14754	2.0
177.05515	3.1
179.03421	2.3
183.02831	1.8
191.06931	1.9
197.04416	98.3
198.04732	3.5
203.14294	2.3
203.21121	1.9
213.93446	1.8
227.16360	26.9
231.02853	7.4
231.13803	1.9
235.16895	3.8
237.14799	2.9
245.15294	2.3
249.14738	2.3
253.17908	2.3
263.16394	12.3
265.14301	57.1
266.14783	3.6
267.15924	6.3
273.14795	2.7
281.17349	3.7
283.15408	40.9
291.15851	52.5
291.18951	3.1
293.17441	5.1
305.17462	2.9
306.17032	2.9
309.16891	3.1
323.18497	2.8
337.16397	68.6
338.16830	3.4
341.19196	2.2
351.18069	9.9
355.17447	17.9
369.19379	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28598	1.8
53.03926	7.7
54.14220	1.8
55.01860	35.5
55.05499	14.2
57.03416	2.3
57.07064	71.5
59.04993	2.1
65.03917	4.2
66.23347	1.6
67.05496	34.8
69.03397	1.9
69.07056	28.0
70.06587	2.1
70.07363	1.9
70.90315	5.3
71.04945	2.5
71.08617	100.0
79.05484	13.3
81.03399	16.2
81.07040	76.7
82.07375	1.6
83.01309	2.9
83.04961	5.3
83.08589	10.4
85.02880	4.4
85.06522	4.6
85.09658	4.0
85.10165	62.0
91.05469	11.1
92.89375	1.9
93.03386	3.7
93.07030	12.7
95.01264	2.5
95.04941	10.5
95.08588	85.0
97.02885	4.6
97.06537	1.8
97.10132	3.4
97.34103	1.7
101.02358	2.5
105.07013	9.6
107.04931	5.5
107.08576	5.6
109.02859	30.5
109.06499	5.4
109.10120	7.0
111.00789	4.9
111.04417	8.4
117.06989	3.8
119.08551	7.9
121.02855	6.6
121.06484	4.3
121.10124	4.0
123.00777	3.0
123.04410	9.8
125.02339	5.1
125.05995	2.1
127.03944	13.8
128.06213	3.1
129.06995	2.6
131.08476	4.4
133.06508	3.2
133.10146	4.2
135.04370	5.8
135.08020	3.4
135.11679	3.0
137.02306	30.4
137.05930	3.0
137.13229	12.6
139.03865	15.9
141.01788	4.1
143.08548	2.0
145.10106	3.2
147.08012	2.6
147.11656	4.5
149.02316	6.8
151.03879	4.8
151.07515	1.9
153.05380	2.8
155.03360	13.4
155.14282	85.5
156.14651	3.6
159.04379	1.9
159.08026	3.2
159.11708	3.1
161.05994	2.2
161.09586	3.6
161.13301	2.2
165.01825	9.8
167.03368	5.9
169.04926	28.2
169.10072	2.0
173.13231	3.4
175.14754	2.0
177.05515	3.1
179.03421	2.3
183.02831	1.8
191.06931	1.9
197.04416	98.3
198.04732	3.5
203.14294	2.3
203.21121	1.9
213.93446	1.8
227.16360	26.9
231.02853	7.4
231.13803	1.9
235.16895	3.8
237.14799	2.9
245.15294	2.3
249.14738	2.3
253.17908	2.3
263.16394	12.3
265.14301	57.1
266.14783	3.6
267.15924	6.3
273.14795	2.7
281.17349	3.7
283.15408	40.9
291.15851	52.5
291.18951	3.1
293.17441	5.1
305.17462	2.9
306.17032	2.9
309.16891	3.1
323.18497	2.8
337.16397	68.6
338.16830	3.4
341.19196	2.2
351.18069	9.9
355.17447	17.9
369.19379	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.4
55.01845	2.7
55.05486	1.3
57.03405	2.4
59.04996	1.1
61.02906	3.4
67.05482	2.6
69.03082	1.1
69.03420	15.1
69.07040	3.1
70.06569	3.4
71.04991	1.1
71.78638	0.9
73.02888	1.9
73.06540	1.2
76.77059	0.7
79.05466	2.4
81.03414	5.9
81.07040	3.5
83.04977	5.2
84.04508	0.8
85.02892	27.1
86.09672	2.0
87.04449	0.7
89.03918	1.6
91.03941	1.7
91.05461	5.1
93.07034	4.0
95.04944	2.6
95.08583	2.5
97.02880	10.2
97.06519	1.4
99.04436	1.9
103.05436	1.2
105.03368	3.2
105.07013	16.3
107.04913	2.0
107.08575	5.1
109.02850	4.6
109.06506	1.7
109.10097	1.3
110.07204	0.8
110.10512	0.9
111.04418	1.9
111.08122	0.8
117.03358	2.9
117.06973	1.7
119.04913	4.1
119.08572	11.9
120.08094	1.8
121.02834	1.0
121.06446	3.6
121.10142	4.3
123.04395	0.9
123.08020	2.0
127.03900	7.0
129.06953	1.3
131.08534	3.6
133.06479	3.8
133.10121	6.7
135.08054	2.7
135.11653	1.9
137.02328	3.8
137.05942	0.9
137.09552	2.0
142.07726	1.1
143.08560	4.1
145.02867	6.6
145.05000	4.6
145.10106	9.5
147.04393	1.8
147.08022	5.7
147.11670	6.2
149.02296	1.0
149.06017	1.6
149.09583	5.3
149.13350	0.8
151.11160	4.6
153.12672	1.1
156.09280	3.7
159.08035	1.0
159.11655	1.5
160.08815	3.3
161.09595	5.9
161.13246	6.8
163.03883	1.8
163.11163	33.8
164.11539	1.0
165.01811	4.3
167.07054	1.5
171.11647	7.7
171.13768	1.9
172.14084	3.0
173.05963	2.5
173.13260	1.3
174.10397	4.3
175.03873	1.3
177.05457	13.0
178.05838	0.9
179.03297	1.4
183.02881	5.1
187.11217	0.9
189.09074	1.3
189.12717	43.9
190.13129	1.7
191.06828	1.1
191.12540	1.7
191.14281	31.7
192.14691	1.0
194.09401	1.8
207.06497	2.6
207.13777	100.0
208.14124	3.3
268.87820	0.6
285.07523	4.1
311.08932	0.8
341.06534	2.1
369.05835	3.6
369.14871	3.2
369.19232	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.4
55.01845	2.7
55.05486	1.3
57.03405	2.4
59.04996	1.1
61.02906	3.4
67.05482	2.6
69.03082	1.1
69.03420	15.1
69.07040	3.1
70.06569	3.4
71.04991	1.1
71.78638	0.9
73.02888	1.9
73.06540	1.2
76.77059	0.7
79.05466	2.4
81.03414	5.9
81.07040	3.5
83.04977	5.2
84.04508	0.8
85.02892	27.1
86.09672	2.0
87.04449	0.7
89.03918	1.6
91.03941	1.7
91.05461	5.1
93.07034	4.0
95.04944	2.6
95.08583	2.5
97.02880	10.2
97.06519	1.4
99.04436	1.9
103.05436	1.2
105.03368	3.2
105.07013	16.3
107.04913	2.0
107.08575	5.1
109.02850	4.6
109.06506	1.7
109.10097	1.3
110.07204	0.8
110.10512	0.9
111.04418	1.9
111.08122	0.8
117.03358	2.9
117.06973	1.7
119.04913	4.1
119.08572	11.9
120.08094	1.8
121.02834	1.0
121.06446	3.6
121.10142	4.3
123.04395	0.9
123.08020	2.0
127.03900	7.0
129.06953	1.3
131.08534	3.6
133.06479	3.8
133.10121	6.7
135.08054	2.7
135.11653	1.9
137.02328	3.8
137.05942	0.9
137.09552	2.0
142.07726	1.1
143.08560	4.1
145.02867	6.6
145.05000	4.6
145.10106	9.5
147.04393	1.8
147.08022	5.7
147.11670	6.2
149.02296	1.0
149.06017	1.6
149.09583	5.3
149.13350	0.8
151.11160	4.6
153.12672	1.1
156.09280	3.7
159.08035	1.0
159.11655	1.5
160.08815	3.3
161.09595	5.9
161.13246	6.8
163.03883	1.8
163.11163	33.8
164.11539	1.0
165.01811	4.3
167.07054	1.5
171.11647	7.7
171.13768	1.9
172.14084	3.0
173.05963	2.5
173.13260	1.3
174.10397	4.3
175.03873	1.3
177.05457	13.0
178.05838	0.9
179.03297	1.4
183.02881	5.1
187.11217	0.9
189.09074	1.3
189.12717	43.9
190.13129	1.7
191.06828	1.1
191.12540	1.7
191.14281	31.7
192.14691	1.0
194.09401	1.8
207.06497	2.6
207.13777	100.0
208.14124	3.3
268.87820	0.6
285.07523	4.1
311.08932	0.8
341.06534	2.1
369.05835	3.6
369.14871	3.2
369.19232	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.19
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.7
56.14699	1.3
61.02906	3.4
68.97852	1.4
69.03419	19.6
69.07058	3.3
69.66267	14.2
71.04962	1.8
79.05470	10.0
81.07022	1.8
83.04960	7.8
85.02886	13.9
91.05466	3.8
93.07006	3.8
95.04937	3.7
95.08575	3.0
97.02875	5.8
98.20638	1.7
99.04386	1.8
103.05457	4.8
105.06999	11.0
107.08558	9.4
109.06506	2.0
112.42345	1.3
119.08567	7.0
121.06488	13.3
121.10130	5.7
123.08041	5.9
127.03889	4.4
131.08548	2.9
133.06468	100.0
133.10086	4.9
134.06824	3.0
135.08035	5.8
136.77817	1.9
137.02293	4.3
143.08524	2.3
145.04936	3.7
145.10129	3.2
147.08011	3.5
147.11653	3.4
149.09567	4.3
151.07553	3.8
159.08000	2.8
161.09634	3.1
163.11179	14.2
173.13211	6.2
174.10324	3.3
189.12721	43.5
191.14282	53.0
192.14655	2.6
207.13782	47.9
208.14067	1.8
288.05768	1.7
341.06580	9.3
369.06021	18.4
370.06314	2.2
391.75543	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1173
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
55.05489	0.5
56.63603	0.5
70.92996	1.7
82.81942	0.5
85.02894	0.9
86.34418	0.5
89.03889	7.5
105.43276	0.5
106.04203	0.5
111.04362	0.5
117.03360	21.4
118.03709	0.7
133.02800	0.7
134.03625	2.5
135.04375	1.9
145.02826	51.2
146.03203	1.6
147.04427	0.5
149.05949	6.8
163.03851	0.7
177.05440	100.0
178.05786	2.3
179.03352	2.0
186.05475	0.8
195.06548	0.6
249.12209	0.5
252.65154	0.5
268.46988	0.6
333.93442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17698	0.5
55.05499	0.7
65.03931	0.5
67.05499	0.7
69.03410	1.7
70.06570	1.4
70.18321	2.6
72.75603	0.5
80.34642	0.5
81.07053	0.5
83.04956	1.3
85.02869	1.9
86.09698	1.2
87.04453	0.6
89.03902	6.3
91.05475	1.2
93.03449	0.7
95.04958	1.3
97.02850	1.1
98.20782	1.0
105.05465	0.9
107.04951	1.3
107.08530	0.6
111.04399	1.4
117.03355	19.8
118.03725	0.6
119.04831	0.7
121.02799	0.6
123.04388	0.9
129.05421	1.1
133.02814	1.4
134.03615	1.4
135.04395	2.6
137.58876	0.5
139.03926	0.6
144.08080	0.6
145.02821	50.5
146.03166	1.4
146.88049	0.4
147.04373	0.5
147.11646	0.5
148.06128	2.1
149.05948	8.4
151.03917	0.8
155.07027	1.0
157.04910	0.5
161.02289	0.6
161.13196	0.6
163.03894	1.5
167.07034	1.5
173.50490	0.5
175.05940	0.6
177.05443	100.0
178.05872	2.7
179.03360	5.4
186.05482	1.2
189.12605	1.6
194.09312	1.0
207.13768	1.0
238.12990	2.7
369.15295	0.6
370.17130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
55.05492	1.6
57.07059	0.5
65.03928	2.6
67.05488	2.9
69.03403	1.9
70.06565	1.5
71.04948	0.6
71.41187	1.2
73.58751	0.4
78.04742	0.5
81.03402	1.0
83.04959	6.6
85.02887	2.5
87.04482	0.5
89.03901	6.2
91.05462	1.5
93.03363	1.8
95.04946	5.2
97.02865	1.0
103.03904	0.7
103.05442	0.7
105.03305	0.5
107.04942	1.1
111.04427	6.9
117.03358	21.7
119.04919	1.1
121.02826	1.1
121.09943	0.5
123.04372	1.0
125.05954	1.5
127.03906	1.0
129.05441	1.0
132.04427	0.6
133.02763	0.9
134.03598	1.6
135.04404	2.3
137.02290	0.8
137.05952	4.1
139.03841	2.2
145.02818	49.5
146.03156	1.0
147.04375	0.9
148.07509	0.5
149.02274	1.4
149.05945	7.1
150.03069	0.5
151.03865	1.6
151.07541	1.4
153.05444	3.7
157.04936	0.7
157.07852	0.6
161.02321	0.9
162.03099	0.5
163.03839	2.8
167.03381	0.9
177.01897	3.0
177.05432	100.0
178.04974	3.4
178.06126	0.7
179.03389	2.5
179.05289	4.4
179.06912	1.1
186.05496	1.7
195.02861	1.3
195.06491	0.6
202.46811	0.5
206.04453	6.4
207.04784	9.5
327.10803	0.6
369.12082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55656	20.7
78.91292	10.0
83.73432	10.2
85.02905	12.2
112.89574	17.1
114.89265	22.5
135.04401	18.0
143.01859	15.5
163.03831	45.9
212.85048	12.0
264.36270	10.7
287.31897	11.8
349.62906	10.6
369.05756	23.3
369.09485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70592	3.9
60.05359	3.8
69.77469	30.2
85.02872	13.4
89.03905	6.7
97.02853	5.8
112.89574	8.4
119.01910	4.1
127.03916	4.9
135.04352	7.6
155.01854	7.0
161.02992	8.1
163.03873	47.6
164.04169	4.9
173.02933	7.0
183.04837	6.4
203.03990	4.7
226.55840	4.4
263.06094	8.9
275.06143	18.1
293.07175	5.6
293.91400	4.5
305.06879	4.9
369.05646	5.8
369.09442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66322	0.3
57.06823	0.5
57.07069	5.8
58.06583	1.7
60.08154	20.2
67.05471	0.9
69.07054	0.6
69.59733	1.0
69.60156	2.3
71.08617	3.8
74.09685	0.4
78.52415	0.3
81.07023	1.2
81.07477	0.3
85.10164	1.8
91.05459	2.7
93.07014	0.4
95.08573	1.4
97.10177	0.5
103.92540	0.3
105.06985	0.3
108.08092	0.4
109.10179	0.4
114.06311	0.3
121.06582	0.3
193.75446	0.3
196.64862	0.4
214.06320	0.5
351.28918	1.1
368.19806	2.8
368.42453	100.0
369.42764	9.5
369.46268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.7
55.05489	4.0
57.03427	19.9
60.04506	2.8
61.02905	1.5
67.05486	9.6
69.03397	1.9
69.07051	13.3
69.92435	4.4
69.92856	2.1
71.04958	1.6
81.07035	3.1
83.04977	1.9
83.08604	9.4
85.02888	5.0
85.06507	1.6
93.07032	1.6
95.04945	1.2
95.08568	2.3
97.02856	1.4
97.06516	3.6
97.97504	0.9
99.08005	1.0
101.05977	1.5
107.08599	2.4
107.36637	0.9
109.02856	1.6
109.10140	45.2
110.10468	1.2
111.08045	4.0
117.03374	2.6
123.08099	1.0
125.09586	1.2
127.03854	1.2
127.11172	55.1
128.11465	0.9
136.07550	1.3
137.05977	1.0
145.02829	9.5
145.04851	1.4
145.10182	1.2
149.09557	1.6
153.12724	12.1
155.14235	1.8
163.03757	1.0
163.11151	1.4
167.87698	0.9
171.13776	100.0
172.14101	3.3
177.05457	16.0
184.69888	1.0
189.12654	2.4
201.05458	2.5
207.13730	3.2
208.14586	1.4
318.24792	1.1
332.26791	1.1
350.28134	1.2
368.28827	2.2
369.15549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58453	0.2
53.83671	0.2
54.03465	1.2
55.01858	0.4
55.05495	1.0
56.05011	0.8
57.06828	0.2
57.07067	3.1
61.04018	0.3
62.21802	0.2
66.78129	0.2
67.05489	1.5
68.05001	0.6
69.03388	0.3
69.07057	1.8
70.02924	0.5
70.06578	1.0
71.08620	3.4
71.28759	0.5
72.04494	0.3
79.05457	0.6
80.05006	1.8
81.03403	0.2
81.07040	3.0
82.02919	2.6
82.06567	2.0
82.07321	0.2
83.04952	0.3
83.08595	0.7
84.04477	0.7
84.26264	0.2
85.06528	0.2
85.10176	1.6
93.07038	1.3
93.28738	0.2
94.06548	2.5
95.08595	2.3
95.46588	0.2
96.04470	2.6
96.08085	0.3
96.08960	0.2
97.06515	0.3
98.06027	0.5
100.03961	4.6
106.06561	0.2
107.08557	0.6
108.04450	1.4
108.08120	0.3
109.03985	0.3
109.05212	0.3
109.10093	0.3
110.02372	0.4
110.06046	1.4
112.03951	0.3
112.19894	0.2
115.05029	0.4
122.05956	0.5
125.03432	0.4
126.04612	0.3
126.05486	4.1
126.60876	0.2
128.03418	0.3
134.05986	0.6
135.05492	0.4
136.03940	2.2
136.04933	0.3
140.03389	0.3
140.07030	0.6
153.03012	0.4
154.04959	6.9
155.05414	0.2
155.14278	0.7
156.06531	0.3
167.08139	0.2
168.06506	1.4
180.03992	0.5
182.04454	5.9
192.17439	0.7
195.06372	0.8
196.07280	0.3
197.05600	0.4
198.18506	7.3
199.16908	1.6
199.18669	0.4
199.24995	0.2
206.18956	0.7
207.18452	0.3
208.16924	7.1
209.17213	0.3
209.61598	0.2
214.08189	0.6
222.18581	0.6
224.20332	0.2
234.18463	0.3
236.19913	0.3
254.17500	3.2
262.18051	0.5
264.19589	0.2
280.18964	1.1
307.20120	1.4
308.18497	100.0
309.18835	8.5
325.21234	0.4
350.20724	1.9
351.19058	3.6
352.19312	0.3
368.21698	4.1
369.22156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
57.03410	0.6
61.02905	0.9
69.03414	1.9
70.99503	0.7
71.04974	0.2
73.02887	0.3
80.12589	0.2
81.03397	0.9
85.02888	6.0
87.04459	0.3
91.03931	0.5
97.02867	2.0
99.04424	0.5
109.02859	0.6
109.19261	0.3
127.03899	1.3
132.04434	4.9
145.02809	0.3
145.04970	1.3
153.27888	0.2
160.03897	0.4
163.03902	0.3
177.05431	0.7
178.04961	54.3
179.05334	1.9
201.06601	0.3
206.04453	100.0
207.04784	3.6
358.21988	0.2
368.09662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2176
Annotation	R-Bambuterol
Peak:m/z	Relative Intensity
53.03952	0.4
53.78242	0.2
53.98270	0.2
54.03465	1.7
55.01881	0.7
55.05505	1.3
56.05043	0.8
57.07069	3.8
57.07333	0.3
61.04049	0.3
67.05494	1.7
68.05042	0.7
69.03405	0.3
69.07056	2.6
70.02961	0.5
70.06584	1.2
70.90421	0.6
71.04976	0.2
71.08621	4.8
72.04528	0.5
73.02914	0.3
79.05489	1.3
80.05009	2.0
81.03420	0.3
81.07047	3.1
81.30077	0.2
82.02931	3.6
82.06567	2.3
82.06934	0.2
83.04971	0.4
83.08639	0.9
84.04516	0.5
85.10168	2.0
91.05501	0.4
93.07021	1.0
94.06546	2.8
94.07043	0.3
95.08588	3.7
96.04483	2.9
96.08141	0.4
97.04009	0.2
97.06559	0.4
97.10204	0.3
98.06081	0.8
100.03967	6.0
100.04578	0.5
105.07050	0.4
106.06546	0.3
107.06096	0.3
107.08597	0.5
108.04434	1.8
108.08129	0.3
109.05255	0.2
109.06612	0.2
109.07640	0.3
109.10181	0.7
110.02393	0.5
110.05984	1.5
115.05022	0.3
119.65456	0.2
121.10179	0.4
122.06045	0.4
123.04451	0.2
123.05556	0.5
124.07580	0.3
125.03513	0.6
126.05490	4.3
128.03485	0.6
134.06039	0.4
135.05527	0.8
135.11728	0.3
136.03943	2.7
136.05006	0.4
137.13200	0.3
138.05505	0.3
140.03400	0.4
140.07083	0.6
150.05527	0.3
150.06700	0.5
151.05032	0.4
151.07417	0.3
152.08107	0.3
153.01823	0.5
153.02963	0.4
153.06613	0.5
154.04959	8.9
155.14349	0.6
156.06590	0.3
168.06505	1.3
180.04042	0.8
180.17558	0.3
182.04456	6.2
191.39221	0.2
192.17494	0.8
195.06395	1.3
196.07198	0.8
197.05580	1.6
198.05153	0.3
198.18510	7.2
199.16963	1.3
199.18660	0.3
201.09088	1.1
206.18967	0.8
207.18587	0.4
208.16949	8.3
209.17262	0.4
214.08176	1.5
222.18523	0.5
234.18582	0.3
236.20039	0.3
254.17459	3.7
262.17984	0.8
264.19531	0.2
280.19135	1.3
307.20126	2.1
308.18512	100.0
309.18835	7.9
350.20740	2.2
351.19080	11.6
352.19345	0.7
368.21722	7.4
369.09534	0.2
369.13632	0.3
369.21964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2835
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.89270	5.2
55.05491	15.2
57.07064	59.4
67.05497	35.2
69.07057	23.8
71.04982	26.8
71.08617	75.7
72.08106	5.4
79.05471	21.5
81.03410	5.0
81.07043	56.5
83.04963	5.7
83.08596	10.6
85.02867	24.1
85.10162	38.2
91.05437	26.7
93.07014	30.1
95.04948	10.1
95.08583	66.6
97.06471	6.3
105.03379	11.0
105.07009	42.2
105.86703	4.3
107.04906	7.4
107.08602	23.8
109.06488	7.0
109.10081	6.5
117.06995	19.8
119.08583	17.4
121.02826	11.5
121.06493	9.1
121.10064	8.8
123.08013	5.5
123.11687	7.5
129.06943	6.6
131.08559	16.6
133.10101	17.5
135.11650	14.1
137.13286	7.0
145.10097	12.8
147.11737	6.8
149.09641	9.2
149.13301	8.5
151.11137	6.9
155.14233	46.9
156.17703	4.8
157.10075	8.9
159.11691	15.2
177.12712	17.4
179.10678	6.5
195.13864	6.6
209.13605	4.7
232.37682	5.2
261.22049	100.0
263.19882	9.5
279.23117	18.1
313.25192	8.3
322.10684	9.0
331.26172	17.5
349.27414	28.0
367.26724	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	16.7
57.06824	4.6
57.07067	54.3
67.05483	26.2
69.07052	24.7
70.75663	3.6
70.75991	9.7
71.04974	26.8
71.08243	4.0
71.08624	65.6
79.05479	12.5
81.06599	4.4
81.07044	62.5
83.08605	7.8
85.02886	21.3
85.10163	39.4
91.05462	49.5
92.05781	9.0
93.07021	16.2
95.08589	57.3
97.06538	5.1
97.10110	5.0
98.20681	3.7
105.07006	40.5
107.08595	18.3
107.09222	3.7
109.02287	4.0
109.06513	9.2
109.10114	14.1
117.06990	21.0
119.04880	3.7
119.08553	9.6
121.06475	3.8
121.10100	7.1
123.08029	9.5
124.52718	3.6
129.06941	5.4
131.08516	13.8
133.10063	6.8
135.08054	5.3
135.11659	9.6
137.09573	9.5
137.13248	5.7
139.11156	4.3
143.08543	6.2
145.10059	8.2
147.08023	5.2
147.11690	3.6
149.09627	7.9
149.13252	8.4
151.11160	13.0
155.14278	53.5
159.11623	10.9
161.09599	6.2
177.12769	18.1
195.13766	8.8
199.16956	5.1
211.16960	8.6
245.19069	4.8
261.22092	100.0
262.22638	4.1
263.20096	10.7
279.23190	21.2
313.25262	12.8
331.26178	14.5
344.62238	4.2
344.97293	4.0
349.27304	30.7
367.27783	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	367.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18768	1.6
53.03924	5.3
55.01849	3.4
55.05504	24.0
55.79195	1.8
57.07062	9.3
59.04990	3.1
65.03938	3.1
67.05493	41.4
69.03403	6.2
69.07049	24.1
71.04959	8.5
71.08614	3.7
77.03934	2.3
79.05476	31.4
81.07040	56.6
83.04974	9.5
83.08613	11.1
85.02883	2.6
85.06509	5.0
90.95662	1.7
91.04903	3.7
91.05463	55.0
93.07024	81.1
95.04387	2.9
95.04951	36.9
95.08587	59.8
97.06503	16.1
97.10068	1.7
102.68079	2.4
103.05454	3.7
105.07013	96.5
105.61491	1.9
106.07319	2.1
107.08576	64.8
108.55739	1.7
109.06499	14.5
109.10133	50.9
111.08026	6.5
115.05428	6.1
116.06224	4.6
117.06992	19.4
119.08557	100.0
121.06497	11.7
121.10123	55.4
123.08033	5.5
123.11678	14.2
125.09534	2.0
128.06215	11.6
129.06984	22.3
130.07767	11.2
131.08540	60.8
132.09296	3.3
133.06479	2.2
133.10104	71.0
135.08034	20.5
135.11684	24.1
135.12659	3.1
137.09593	8.1
137.13310	2.1
141.06973	6.2
142.07750	22.1
143.08537	42.5
144.09297	12.0
145.06415	3.3
145.10098	76.5
146.07225	8.6
146.10710	2.1
147.08064	9.8
147.11658	27.6
149.09605	17.1
149.13211	3.8
153.06963	4.5
154.07710	3.3
155.08490	13.8
156.09348	14.1
157.10095	56.5
158.10925	9.0
159.07982	6.9
159.11676	36.8
161.08403	1.7
161.09584	48.2
161.13251	10.4
163.11134	5.3
164.24385	2.2
165.06976	3.1
167.08575	6.0
168.09258	5.3
169.10097	20.8
170.10817	7.8
171.11659	29.7
172.12431	3.4
173.09586	7.5
173.13214	26.4
174.13635	2.4
175.11151	8.3
175.14786	21.3
179.08546	6.8
180.09276	4.9
181.10100	13.4
182.10873	6.7
183.11652	22.1
184.12482	4.3
184.60687	1.8
185.09572	2.3
185.13277	16.1
187.11137	3.6
187.14784	15.5
189.12735	5.4
189.16325	3.5
191.14299	3.2
193.10060	4.1
194.10902	10.1
195.11621	12.6
196.12440	4.8
197.13234	21.5
199.11153	4.5
199.14795	13.5
200.15561	2.1
201.12756	5.2
201.16351	7.6
203.14270	2.6
205.15804	2.2
207.11655	4.5
209.13199	25.7
210.13989	3.6
211.14691	9.2
213.12700	6.1
213.16354	5.6
215.14316	2.8
221.13307	3.4
223.14801	5.4
224.15509	2.9
225.16336	5.4
227.14268	22.9
229.15761	2.9
229.38632	2.5
235.14639	2.3
237.16327	3.4
239.17821	12.3
241.19461	2.5
247.14740	2.6
249.16344	3.0
251.17876	4.7
253.19415	2.9
255.17361	7.9
257.18878	5.5
265.19446	6.5
266.20306	3.3
267.17398	3.2
269.18967	6.1
271.20554	2.6
283.20566	2.4
293.18979	4.1
349.24976	10.2
367.26236	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94384	0.5
70.06543	0.8
71.18987	1.5
81.07031	0.8
105.03363	1.0
105.06988	0.8
120.84013	0.5
121.02829	3.0
122.87517	0.6
147.44054	0.5
223.09825	0.7
232.07506	0.6
233.08372	0.9
249.05487	0.8
249.07779	0.9
250.08577	2.2
261.07800	0.9
262.08530	1.3
264.06522	1.2
275.64453	0.6
278.08069	15.6
279.08670	2.7
289.07150	0.7
290.08096	3.6
292.06036	4.1
293.06671	4.4
294.07739	0.6
294.11169	1.2
306.07547	17.6
307.08258	6.9
310.81110	0.6
322.10684	100.0
323.11041	8.2
336.04904	0.5
382.71976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01856	1.0
55.05506	4.2
56.05037	3.5
57.03423	1.9
57.07069	0.9
59.04988	1.6
60.04513	100.0
61.04841	0.6
66.87286	0.5
67.05490	13.8
68.05016	1.4
69.03407	1.5
69.07058	5.1
69.50349	5.8
70.06582	1.8
71.04964	2.7
72.04508	1.9
72.08137	1.0
73.02903	0.5
74.06070	2.3
79.05474	8.6
80.05007	1.6
81.03408	1.6
81.07039	16.6
82.06557	1.3
83.04965	1.6
83.08622	2.4
84.04503	0.7
84.08136	0.6
85.02901	1.1
85.06526	6.9
86.06062	0.7
86.09697	0.7
88.07613	1.9
89.06041	0.5
90.05544	0.8
91.05454	7.6
93.07023	9.3
94.06569	2.0
95.04943	1.7
95.08583	14.2
96.08134	1.5
97.02861	0.8
97.06541	1.3
97.10153	2.1
98.06020	1.1
99.04402	0.6
99.08101	1.7
102.05529	1.9
102.11121	0.6
105.07004	4.9
107.08573	7.0
108.08830	0.5
109.06467	1.2
109.10120	6.7
111.08066	1.7
112.07642	0.6
113.05988	3.6
113.09634	1.3
116.07090	1.9
116.68840	0.5
117.07022	1.1
119.08566	4.2
120.08079	1.0
121.10106	5.5
123.08062	1.0
123.11675	2.8
125.09612	4.9
131.08563	2.9
133.10115	4.7
135.08047	0.6
135.11662	3.7
136.07550	1.2
137.13271	0.5
141.09087	1.5
143.08516	0.7
143.10666	1.8
145.10081	1.3
147.11691	2.3
147.84917	0.6
149.13219	1.9
151.11176	2.8
157.10072	0.8
159.11609	1.5
161.13226	1.6
163.03799	0.9
163.14832	0.6
169.12212	12.3
169.13545	1.0
171.11722	0.6
173.12967	1.5
175.14833	0.7
177.16475	0.9
187.09547	0.8
187.13316	2.8
187.14694	0.6
201.12277	0.7
217.19533	1.2
241.19437	0.6
253.21564	0.7
258.22171	1.2
259.20572	0.6
264.23300	0.8
276.23199	3.6
277.21475	0.8
294.24207	6.3
312.25287	12.4
330.26328	26.7
348.27374	43.7
349.27722	1.2
366.28430	76.3
367.13501	0.8
367.28714	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	366.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01859	0.8
55.05500	3.9
56.05033	3.5
57.03428	1.4
59.05006	1.5
60.04517	100.0
62.36805	0.6
67.05132	0.8
67.05493	13.1
68.05010	1.2
69.03421	1.2
69.07049	5.6
69.89474	1.6
69.89886	2.9
70.06570	2.1
71.04978	2.2
72.04511	1.9
72.08156	1.6
74.06064	2.7
79.05482	7.6
80.05009	1.8
81.03388	1.3
81.07044	13.7
82.06567	1.6
83.04963	1.2
83.08617	2.3
85.02882	1.7
85.06537	5.6
88.07628	2.9
91.05460	7.0
93.07038	10.3
94.06582	1.5
95.04976	1.8
95.08591	13.3
96.08125	0.8
97.06527	2.3
97.10153	1.8
99.08086	1.5
102.05515	1.8
105.07029	4.8
107.08556	5.9
109.10144	6.7
111.08073	1.4
113.05995	3.0
113.09651	1.3
116.07081	2.2
116.55621	0.7
117.06991	1.2
118.31235	0.7
119.08569	3.0
120.08118	1.0
121.06573	0.7
121.10142	5.1
123.08089	1.1
123.11726	2.8
123.60166	0.7
125.09615	3.5
127.07539	0.7
127.11170	1.6
128.10683	1.1
129.07005	1.0
131.08546	2.1
133.10103	4.9
135.11665	3.7
136.07570	2.3
141.09065	0.8
143.08557	0.8
143.10643	2.4
145.10138	1.5
147.11685	2.4
149.13274	1.6
151.11179	5.0
157.10071	0.8
159.11676	0.7
161.13225	1.5
163.83031	0.7
169.12222	16.0
170.12698	0.7
171.11722	0.9
173.12941	2.1
175.14827	1.3
177.16383	0.9
185.13199	0.8
187.09671	0.8
187.13274	2.5
187.14766	0.9
201.12299	1.2
217.19495	1.8
253.21533	1.9
276.23154	3.2
294.24292	6.5
312.25330	11.8
326.87799	0.8
330.26346	27.9
331.26581	1.1
348.27396	46.6
349.27658	2.2
366.28458	80.7
367.28696	2.0
383.01868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
56.05024	1.5
57.06790	0.3
57.07064	5.6
67.05494	2.4
68.05019	0.7
69.07053	1.8
70.02916	0.5
70.10692	1.7
71.08237	0.4
71.08620	7.3
79.05485	1.6
80.04991	0.9
81.03394	0.5
81.06659	0.4
81.07048	4.2
82.06536	0.5
83.04956	0.3
83.08592	0.5
83.12849	0.3
84.04479	0.7
85.10169	4.3
91.05476	0.6
93.07040	1.1
94.06551	0.8
95.04948	0.4
95.08593	5.7
96.04470	0.4
97.06529	0.4
97.10124	0.4
98.21353	0.3
105.03333	0.5
105.07005	0.8
106.06528	2.6
107.08588	0.6
108.08124	0.7
113.40867	0.3
120.08064	1.2
120.93357	0.3
121.02848	1.0
121.13120	0.3
122.06000	0.5
122.09633	0.8
123.04431	0.4
124.07574	5.4
125.05961	0.6
130.06474	0.5
132.08067	0.7
134.05995	3.5
135.06772	4.8
136.07486	0.4
146.06134	0.3
146.09636	0.5
148.07567	2.5
150.09114	4.8
151.03912	0.6
152.07060	1.2
153.07861	0.4
155.14307	0.8
158.97159	0.3
166.08583	1.4
168.06573	1.0
168.10190	1.8
169.05064	0.5
175.00986	0.3
176.07022	1.5
180.06525	0.4
187.06888	0.3
191.09338	0.4
192.17401	0.5
194.08099	17.4
195.08463	0.7
198.18588	0.4
210.18489	2.8
212.09138	13.0
213.09436	0.4
240.59361	0.4
244.20258	0.3
258.22162	0.7
260.19992	1.7
262.21600	0.4
264.19537	0.4
274.21585	0.4
288.19623	0.3
292.19901	0.4
302.21109	0.8
304.22672	4.3
306.20517	0.6
322.23642	0.7
324.21643	1.6
325.95627	0.3
348.21774	0.7
351.12357	0.7
366.22690	100.0
367.23032	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	366.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.2
55.05492	3.6
57.03420	1.3
57.07050	1.1
59.04982	2.0
60.04518	9.5
60.81263	0.8
61.02903	2.0
67.05492	5.0
69.03421	9.9
69.07035	1.5
70.06566	1.3
70.73203	3.2
71.04973	4.1
79.05471	1.5
81.03386	0.9
81.07040	14.5
83.04980	4.4
83.08610	16.0
85.02893	16.4
85.06534	2.1
87.04453	100.0
88.04792	1.7
91.03971	1.2
91.05467	5.5
93.07024	21.5
93.41586	0.9
95.04946	2.3
95.08591	5.4
97.02866	3.4
98.20745	1.0
99.04445	1.3
105.06995	5.4
107.08571	7.0
109.02867	1.3
109.06467	1.9
109.10141	2.9
111.08086	1.2
113.05997	5.3
120.08079	1.0
121.10094	0.9
123.11681	6.4
125.09650	1.2
127.03867	4.7
133.10088	6.4
135.11620	1.0
145.02789	0.8
145.04898	4.5
147.04379	2.9
151.11160	12.3
152.11583	1.1
163.03888	1.8
163.05994	1.7
169.12225	9.3
187.13290	7.2
249.09702	4.8
303.05051	2.9
330.26303	2.0
348.27002	4.6
366.28384	7.7
377.01700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58282	1.2
53.03926	1.1
55.01861	1.5
55.05491	2.2
57.03415	2.0
57.07058	3.5
58.47135	0.8
59.04980	4.3
60.04514	26.4
67.05495	10.7
67.11316	1.0
69.03411	3.4
69.07044	4.3
69.47506	0.9
70.01962	6.3
70.06564	2.3
71.04978	16.0
73.01965	0.9
74.06021	0.9
74.86124	0.9
79.05484	8.1
81.03388	1.5
81.07040	36.1
83.04967	6.4
85.02893	6.7
85.06538	1.3
86.09684	1.6
87.04456	0.9
87.16102	1.1
91.05448	7.3
93.07032	13.1
95.04955	4.1
95.08596	11.5
97.02871	2.6
97.06531	1.0
98.20770	1.3
99.04467	1.2
99.08044	1.3
105.07021	8.2
107.04944	1.4
107.08575	45.5
109.02885	1.3
109.06490	6.0
109.10143	17.6
111.08063	1.3
113.05994	2.9
119.08594	1.3
120.08081	1.3
120.15864	0.9
122.36425	0.9
123.08083	1.5
123.11683	27.7
127.03880	1.3
129.09116	1.0
130.06529	1.5
131.08586	1.2
133.10109	24.3
135.11681	1.5
147.11667	1.1
151.11153	45.9
154.60602	1.0
169.12212	100.0
170.12572	1.6
184.59862	1.1
187.13242	6.5
203.03117	1.1
204.03494	1.9
209.56042	1.0
264.23160	1.2
294.24219	2.1
312.25223	2.3
330.26422	3.1
339.08252	1.3
348.27457	8.7
366.28445	28.2
367.08051	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	366.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.4
55.05486	3.0
57.03418	2.5
57.07066	1.1
59.04980	4.8
60.04504	4.3
61.02890	1.6
67.05499	10.4
69.03403	4.5
69.07051	4.1
69.58781	10.2
71.04976	18.2
76.84597	1.3
79.05479	3.2
81.03381	2.3
81.06596	1.7
81.07043	25.2
82.07394	1.2
83.04967	3.4
85.02879	13.1
85.06521	2.8
86.09691	7.5
91.03932	1.5
91.05460	7.8
92.95157	1.3
93.07029	15.1
95.04955	3.8
95.08595	8.7
97.02859	4.2
99.04417	1.8
99.08054	1.3
105.06997	9.4
107.08570	42.8
107.90236	1.1
109.02863	2.1
109.06493	4.5
109.10138	17.8
111.08077	3.2
113.05944	1.3
120.08095	3.8
121.10104	2.3
123.08015	1.6
123.11681	21.0
127.03901	3.6
132.75717	1.0
133.10103	26.9
145.05017	1.7
151.11151	51.3
152.11531	2.2
166.08572	2.4
169.12210	100.0
170.12547	1.8
187.13229	11.4
187.68896	1.2
201.12405	1.4
253.11868	2.7
316.37918	1.1
331.17624	6.6
366.06171	1.2
366.28464	3.6
367.07858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51794	2.9
74.14307	1.0
80.95403	1.2
83.41074	1.1
86.96163	1.3
94.81646	1.0
119.01917	4.7
132.83563	1.2
137.02951	3.0
177.00916	16.9
199.80573	1.2
217.04123	1.3
219.01984	26.0
219.32391	1.3
220.02142	2.6
221.01871	2.8
225.00801	1.9
234.99963	9.8
240.98701	1.5
243.02034	4.3
253.01132	4.1
258.99969	16.4
260.00107	3.2
261.03024	65.2
262.03137	2.3
263.02866	2.6
264.98965	3.4
276.93686	1.4
277.01007	27.2
277.04037	1.9
278.01004	5.5
279.01230	1.6
282.99927	39.5
283.02948	2.4
284.00006	6.8
284.04706	4.3
301.00995	100.0
302.01157	18.6
303.01016	2.5
319.02240	6.0
324.02725	4.0
325.00797	7.8
326.01074	1.2
343.02048	51.0
344.02200	6.5
361.03082	19.4
361.27866	1.3
362.03070	2.8
366.03748	2.4
385.03085	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	365.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.9
57.07066	72.5
67.05492	26.4
69.03413	1.5
69.07051	13.8
69.47517	1.1
71.04971	6.6
71.08619	100.0
72.08955	1.2
78.92200	1.1
79.05486	4.8
79.64860	1.3
81.07043	64.2
83.08602	7.0
85.06524	2.5
85.10169	50.3
86.10480	1.4
87.08083	1.5
89.06025	2.5
91.05475	3.7
91.46793	1.2
93.07028	4.4
95.04940	3.3
95.08591	69.1
96.08936	1.9
97.06499	1.9
97.10157	2.9
99.04434	5.3
105.06976	2.6
107.08556	2.3
109.06517	1.4
109.10152	2.4
111.11693	1.3
119.08564	2.8
121.10110	1.9
133.10155	1.9
135.11656	2.6
137.13214	9.9
151.09625	3.3
155.14282	70.6
156.14587	2.6
161.13251	2.7
179.14287	1.6
207.17253	1.5
208.21040	1.4
209.15279	1.9
211.16884	27.6
305.28391	4.9
333.27777	1.8
337.31033	2.7
365.26035	2.4
365.30457	35.7
366.30896	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.268
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03923	1.0
55.01867	1.1
55.05509	3.2
57.07065	19.8
67.05492	5.3
69.07054	3.7
70.10013	1.3
70.10407	2.1
71.08619	3.3
79.05470	2.8
81.07036	5.9
83.04956	1.2
83.08587	1.7
85.06518	8.9
85.10168	1.2
85.17302	0.7
91.05458	3.2
93.07025	3.8
95.04938	2.2
95.08591	5.2
97.06496	1.6
97.10209	0.8
98.98450	1.9
105.03352	3.6
105.06983	3.7
107.04876	1.0
107.08566	4.2
109.06503	6.5
109.10136	2.0
110.33685	0.6
111.08042	1.3
117.06963	0.9
119.08541	2.7
120.08074	0.8
121.02837	8.0
121.10111	1.8
123.08018	4.2
124.08799	0.8
131.08553	1.9
133.10112	1.9
135.08047	4.0
135.11696	1.0
137.06012	1.5
139.07597	0.7
143.08560	1.7
145.10049	1.7
147.11607	1.0
149.09599	1.7
151.03801	0.8
151.06439	0.7
151.07491	3.1
152.08299	4.9
155.01015	2.7
155.14316	1.0
157.10150	1.8
159.11652	0.8
165.09076	9.0
171.11580	0.7
175.11201	1.2
177.09161	1.0
177.12733	1.0
179.10692	0.8
185.13254	0.9
193.12251	0.7
194.13025	3.2
195.13612	0.8
197.15236	0.7
207.13744	1.1
211.20500	0.7
217.57806	0.7
235.16980	0.8
238.08598	4.8
240.10196	1.0
249.18584	0.8
263.19995	11.7
277.21643	0.9
279.19690	1.2
291.19608	0.9
305.24432	1.0
317.08426	0.7
319.26266	1.0
347.25784	24.1
348.26080	2.0
365.26825	100.0
366.27286	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.247
Annotation	Quinestrol
Peak:m/z	Relative Intensity
53.03939	4.1
53.28356	2.0
55.05499	13.9
56.20402	2.1
57.03427	2.9
57.07055	6.7
58.38396	1.8
59.04959	3.2
61.02907	3.9
65.03930	3.1
67.05495	21.7
69.03403	4.8
69.07058	14.7
70.12807	11.2
71.04973	2.9
71.08616	3.1
79.05471	23.2
81.03398	4.0
81.07044	23.9
83.04941	6.0
83.08584	7.3
85.02892	3.1
85.06540	2.4
91.05463	27.9
92.05826	2.1
93.07030	34.4
95.04954	32.1
95.08586	24.5
97.02882	3.9
97.06522	6.5
97.10178	2.6
103.05463	3.1
105.07008	46.9
107.04915	2.5
107.08566	26.5
109.06494	8.4
109.10152	16.5
115.05398	2.7
116.06276	2.1
117.06998	16.6
119.04839	2.0
119.08559	47.6
121.02848	2.5
121.06461	5.9
121.10131	26.9
123.08050	6.1
123.11679	4.5
125.09573	3.9
128.06186	10.4
129.06990	13.1
130.07761	4.7
131.08549	36.9
133.06485	2.2
133.10107	20.0
135.08069	10.8
135.11685	5.6
137.09634	4.0
141.06999	3.8
142.07758	15.4
143.08542	27.2
144.09340	5.0
145.06436	3.0
145.10098	35.4
147.08028	6.7
147.11655	16.9
149.09610	10.2
149.13246	4.9
151.11154	3.3
153.06999	2.4
155.08501	13.7
156.09338	10.7
157.10110	32.7
158.10841	7.3
159.08000	3.1
159.11679	17.7
161.09563	10.9
161.13229	5.2
164.98416	4.0
165.06985	4.1
166.07753	4.5
167.08551	7.5
167.10710	2.3
168.09314	3.3
169.10106	15.7
170.10799	4.9
171.11676	15.5
173.09631	7.5
173.13242	39.8
175.11162	8.5
175.14763	2.5
177.12708	2.6
178.07776	2.0
179.08598	8.3
180.09293	2.5
181.10097	14.2
182.10864	7.7
183.11639	23.2
184.12376	2.6
185.09587	4.2
185.13260	7.9
187.11208	6.0
187.14810	3.0
189.12689	3.7
191.08482	1.9
191.14261	29.1
192.09297	4.6
193.10091	12.1
194.10861	6.0
195.11681	19.6
196.12494	6.0
197.13210	14.6
199.11105	2.4
199.14813	8.2
201.12698	13.6
203.14262	2.6
205.10080	4.0
206.10919	7.9
207.11671	20.0
208.12415	7.2
209.13220	15.0
210.13986	3.4
211.11191	3.6
211.14839	11.0
215.14363	2.8
216.15067	6.7
217.15875	4.3
218.10832	2.5
219.11633	6.3
220.12479	4.6
221.13261	10.5
222.13992	4.1
223.11256	2.2
223.14854	10.4
224.15480	2.6
225.12744	6.4
225.16402	4.5
227.14281	4.2
229.15932	4.3
232.12343	2.4
233.13237	8.3
234.13950	3.8
235.14774	9.0
237.12715	3.3
237.16374	8.8
239.14215	5.2
239.17883	4.5
241.15901	3.0
243.11702	2.5
247.14818	4.7
248.15579	4.0
249.12694	2.8
249.13841	1.9
249.16345	14.7
251.17923	5.0
253.15996	5.0
255.17535	2.8
258.13940	2.4
260.15460	2.2
261.16370	3.5
263.18024	9.4
264.18768	3.9
265.15918	4.5
265.19470	3.8
267.17404	8.1
269.18991	3.5
273.16321	4.2
277.15927	4.4
277.19333	2.4
279.17496	3.0
281.19019	6.4
282.19724	3.2
291.17120	6.0
291.19669	6.1
297.18454	3.6
305.18814	2.2
307.20813	2.8
319.24136	2.4
329.22546	3.4
337.25360	2.8
347.23602	27.9
365.24698	100.0
366.25131	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.8
55.05505	13.2
57.07060	20.6
58.67262	2.6
59.04965	5.9
61.63799	2.6
67.05489	27.2
69.03437	3.4
69.07046	11.7
70.07879	9.9
70.08292	6.3
71.04983	3.3
71.08604	19.5
75.69672	2.7
79.05473	24.2
81.07041	35.4
81.99347	2.6
83.04971	4.2
83.08592	6.2
83.32227	3.0
85.02905	6.9
85.06544	5.5
85.10156	10.0
91.05457	28.8
92.50032	2.6
93.07027	25.9
95.04956	48.1
95.08583	42.0
97.06516	6.7
105.03374	6.2
105.07014	44.7
107.08570	26.4
109.06535	6.1
109.10125	12.4
117.06978	14.5
119.08572	37.6
121.02827	14.3
121.06465	5.1
121.10101	14.3
123.08033	9.0
125.05984	3.0
128.06183	5.7
129.06976	8.6
130.07681	3.5
131.08566	22.3
133.10104	22.5
135.08041	12.7
135.11646	8.6
137.09573	6.7
141.06992	5.4
142.07764	13.9
143.08522	21.4
144.09322	5.5
145.10124	22.4
147.08095	6.2
147.11612	13.0
149.09569	7.5
151.11172	5.0
155.08496	8.0
155.14261	11.0
156.09308	14.5
157.10114	38.4
158.10869	6.1
159.08054	3.8
159.11665	28.5
161.09583	9.8
161.13226	8.7
163.11087	3.0
165.06985	6.0
167.08496	5.4
168.09314	3.2
169.10085	17.1
170.10803	8.3
171.11649	20.5
172.08792	4.1
173.09554	6.4
173.13249	8.5
173.89854	2.9
175.11160	12.5
179.08623	5.6
180.09273	5.2
181.10054	15.0
183.11644	21.5
184.12540	3.4
185.09506	2.7
185.13234	29.9
187.11118	9.3
187.14777	14.2
189.12717	4.7
192.09308	4.9
193.10074	12.6
193.11974	4.7
194.10840	7.0
195.11617	19.7
196.12390	7.5
197.13235	17.0
199.14835	5.0
201.12718	3.5
205.15948	3.3
206.10942	6.2
207.11626	24.1
208.12459	5.4
209.13254	18.3
210.14120	4.2
211.11166	4.7
211.14789	7.7
213.12712	11.1
217.10298	3.6
219.11636	7.8
221.13220	18.5
222.14058	6.1
223.14850	12.9
223.16733	4.0
225.12779	6.5
225.16356	5.2
227.14305	3.6
229.15753	3.0
231.11688	4.2
232.12349	4.3
233.13310	6.1
234.13947	3.6
235.14760	8.4
236.15569	7.8
237.16327	13.3
238.17026	3.5
239.14124	4.0
239.17941	5.4
241.15662	3.7
247.14755	8.3
248.15540	3.1
249.16328	14.9
251.17773	13.4
251.20207	3.9
255.17354	5.1
256.17761	2.8
261.16275	4.4
263.17947	9.2
264.18784	3.7
265.15976	4.0
265.19394	4.6
267.17419	9.2
269.18896	7.8
273.16306	5.5
281.18839	6.6
289.19373	2.8
291.17380	9.5
305.24741	6.5
309.18668	2.8
329.22357	4.6
347.23294	27.6
365.24628	100.0
366.25497	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	365.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54853	0.6
53.03925	0.6
55.01846	1.1
55.05479	0.9
55.77622	0.5
57.07058	1.0
60.04517	4.7
61.00842	1.1
61.01134	11.0
61.02901	0.7
65.03893	0.8
67.05473	2.3
68.04998	1.6
69.03416	16.0
69.07034	1.9
69.77790	3.1
69.78217	1.9
70.06570	1.9
71.04968	1.8
72.04507	1.3
73.01109	1.8
73.02898	0.8
79.05492	0.9
81.03403	0.9
81.07044	3.5
82.07407	0.7
83.04960	1.2
85.02878	2.5
85.06507	2.4
86.06048	13.5
86.09691	1.7
87.04455	11.3
89.44182	0.6
91.05449	2.5
91.61344	0.8
93.07008	2.4
94.07364	0.8
95.04954	1.7
95.08569	2.1
97.02849	1.1
98.06041	6.2
99.04391	1.1
99.05558	1.5
100.03912	0.8
101.00581	2.6
102.03762	1.0
103.02102	1.0
105.03702	1.0
105.06986	1.1
107.08552	2.1
108.08819	1.0
109.02853	0.8
109.06483	1.0
109.10118	0.8
109.12196	0.6
111.04402	0.7
113.05991	1.5
115.08656	3.9
119.01615	16.1
119.08530	1.1
120.04786	4.0
121.02806	1.0
121.10112	1.8
124.07548	2.1
125.07079	0.7
127.03895	1.2
127.07494	0.8
128.05330	1.4
131.07033	0.9
131.08575	0.8
132.04741	1.2
133.10100	1.9
134.48586	0.7
135.04349	0.9
139.11095	0.7
140.07042	16.2
142.08585	5.4
146.06323	2.3
147.04715	69.8
148.04999	2.0
149.07350	0.9
151.11133	2.6
159.05820	1.7
163.03896	3.1
164.07391	3.3
165.05461	1.0
166.08623	0.7
167.10620	1.8
168.10989	2.4
169.12221	4.3
180.27876	0.6
184.09637	1.7
185.04282	0.6
187.05937	0.6
187.13286	1.1
188.07321	4.3
191.01492	0.6
199.08908	0.8
200.07474	1.9
203.03101	3.0
206.08417	0.7
209.04378	4.2
217.09987	4.5
218.08424	0.9
235.11069	100.0
236.11365	3.3
258.14447	0.7
303.17685	1.9
320.56662	0.7
329.24973	0.7
334.12665	0.8
347.16278	35.1
347.25983	1.4
348.16544	2.0
348.26971	0.7
365.06122	1.1
365.09604	1.2
365.21109	1.1
365.27435	1.1
366.28577	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25606	1.1
50.31590	1.0
56.96540	1.3
57.07064	1.9
60.04502	2.6
61.01137	26.3
67.05494	1.9
69.03410	1.1
69.07060	1.3
69.27600	1.1
70.06575	1.7
70.58987	3.6
72.04504	19.6
73.02879	1.5
73.39549	1.1
78.03773	14.1
83.04964	1.2
85.02897	2.1
85.06528	2.6
86.06052	5.8
87.00812	13.3
88.02205	5.4
89.03878	1.7
91.05496	2.6
95.04948	2.5
99.05550	7.6
102.03751	13.1
103.02148	30.1
104.01679	2.6
105.00054	1.3
107.04939	1.5
107.26358	1.2
113.06009	3.2
114.03741	9.7
114.05511	47.0
114.06313	2.6
115.05054	1.1
119.04935	2.3
120.04779	36.6
120.08091	2.2
124.07555	2.2
125.07101	1.7
129.00050	5.2
131.06329	7.3
132.04756	11.8
135.04411	3.2
140.03384	1.6
142.08585	8.1
145.02847	1.5
146.02676	10.4
147.01091	13.5
147.04376	5.4
149.07413	24.9
149.09799	1.0
159.05826	10.4
162.05859	1.9
163.03857	10.2
164.03748	10.4
173.40768	1.0
174.05830	3.8
175.05325	3.6
182.23477	1.0
184.09689	3.6
185.11644	1.3
191.08459	43.7
192.08804	1.2
198.82921	1.3
201.06923	2.9
215.13837	1.1
217.06393	6.4
218.04742	1.9
221.60081	1.2
235.07430	100.0
235.95985	0.9
236.07822	3.4
236.97815	1.0
261.12454	2.5
303.13647	21.2
324.83728	1.1
347.12659	21.6
348.12622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78371	0.7
71.79663	1.4
81.58891	0.8
105.84771	0.9
185.04181	15.6
203.05225	44.5
204.05577	1.3
284.53137	0.8
285.72800	0.8
365.10757	100.0
366.10919	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	365.137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.07066	2.0
60.04508	1.6
61.00833	2.0
61.01134	25.7
67.05489	1.9
67.11608	1.0
68.51202	0.9
68.99792	1.1
69.07048	0.9
69.71346	2.1
69.71747	7.3
71.04979	1.3
72.04501	16.8
73.02917	1.1
78.03775	15.5
85.06535	3.2
86.02383	1.2
86.06059	6.3
87.00815	13.6
88.02199	3.8
95.04950	2.0
98.02373	1.1
99.05568	6.4
102.03738	13.2
103.02148	30.0
104.01685	2.2
113.05981	3.6
114.03763	8.6
114.05502	45.3
116.03471	1.8
120.04785	32.2
124.07571	3.0
129.00066	5.3
130.08533	1.1
131.06345	6.4
132.04767	14.3
135.01924	0.9
140.03392	2.8
142.08578	7.7
146.02699	13.9
147.01082	13.6
148.60533	1.0
149.07414	29.5
150.74455	0.9
159.05849	10.0
162.05878	2.5
162.07504	0.9
164.03748	9.8
174.05846	5.9
175.05345	2.7
184.09688	2.8
188.03725	1.8
190.80234	1.0
191.08453	43.1
192.08830	1.6
200.03641	1.0
201.06860	1.9
206.04765	1.2
217.06351	5.7
218.04825	2.8
228.10326	1.0
235.07434	100.0
236.07764	3.7
261.12509	2.4
278.59995	0.9
303.13663	22.9
304.13925	1.5
347.08789	1.9
347.12631	21.0
357.33569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67136	0.9
65.05109	0.8
65.92582	0.8
71.28173	2.4
79.25787	0.9
97.09170	0.9
109.21143	1.0
138.05669	0.9
149.41545	1.1
165.67108	0.8
169.37796	0.9
185.04199	19.0
203.05229	39.6
310.33014	0.9
365.10678	100.0
366.10904	2.5
371.81323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60442	1.2
55.42128	1.3
61.31816	1.3
71.77968	1.3
84.08856	1.2
108.92853	1.7
119.79964	1.2
139.70796	1.3
173.56631	1.3
174.94202	1.2
185.04214	20.1
203.05237	44.0
272.56549	1.3
337.06082	1.6
365.10983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	1.6
67.05474	1.7
69.07053	1.1
71.08601	1.6
71.78503	0.9
71.78947	1.4
81.07006	2.5
84.63881	0.8
85.10142	1.7
86.47910	0.7
87.04449	26.3
91.37177	0.7
93.07061	1.9
95.04977	0.8
95.08573	2.7
98.37476	0.8
105.07001	2.8
107.08542	1.4
109.05276	0.8
122.06010	36.3
122.09669	1.8
133.10109	1.3
137.13242	1.0
139.59074	0.7
150.97856	0.8
151.09668	1.1
155.14314	1.4
192.10097	0.8
194.08089	1.8
195.08887	2.7
208.09660	87.8
209.10017	1.6
210.14815	2.0
234.18654	1.0
236.20052	3.2
250.14357	1.2
262.18118	1.5
264.15909	1.7
276.23221	1.6
277.00186	0.8
304.22473	0.9
320.22211	3.3
321.22910	8.3
322.23666	3.1
362.26620	1.6
364.28400	100.0
365.28827	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	365.063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46705	2.7
55.01859	2.7
55.05496	3.3
56.96558	14.6
57.07082	3.1
60.04515	3.6
66.52125	2.7
67.05480	4.4
69.03403	8.4
69.07059	5.9
70.06580	15.5
70.40011	2.4
71.04987	4.2
71.81116	2.9
71.81522	3.8
72.08154	3.0
79.05480	7.1
81.03413	4.9
81.07041	6.6
82.40763	2.3
83.04957	2.9
84.04453	4.3
84.08113	6.7
85.02898	16.2
86.09692	11.4
91.05468	5.4
91.85728	2.6
93.07030	5.6
95.04953	4.1
95.08583	5.9
95.18782	2.4
97.02883	6.8
98.97570	5.8
102.19816	2.6
102.27558	2.4
103.04008	2.5
105.07018	5.1
107.04946	4.4
107.08608	7.6
109.02876	4.0
109.06512	4.5
110.97571	4.4
111.04424	3.4
114.05498	3.8
115.05462	3.9
116.98603	9.5
119.07265	3.2
121.10155	5.2
125.09631	4.4
127.03894	4.5
128.98596	5.1
131.08490	3.6
134.99629	3.5
145.04898	3.1
145.10010	3.0
146.99631	4.9
147.04384	5.1
149.09625	3.3
157.10126	8.8
161.01251	3.1
163.03822	3.3
167.10690	9.0
167.32523	3.2
168.10983	3.6
185.11714	4.8
185.13228	8.9
190.12238	7.9
213.04385	6.3
231.06499	4.7
237.02759	7.8
239.02202	7.7
257.03265	3.4
263.53244	2.4
266.00067	2.5
334.89691	3.0
344.67859	2.5
365.06110	100.0
365.10510	3.8
365.21332	5.1
366.06180	7.0
383.06537	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	364.2688
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
50.17607	0.6
54.80310	0.7
55.01883	0.6
55.05497	1.7
56.05023	2.2
57.03422	1.3
60.04515	91.3
65.03938	0.7
65.43086	0.7
67.05492	7.3
68.05027	0.8
69.07058	2.1
70.06597	1.5
71.04904	2.5
72.04517	3.3
74.06078	0.9
79.05475	8.5
80.05001	1.3
81.03403	1.2
81.07043	14.1
82.06562	1.5
83.04993	1.3
84.04493	0.7
85.02889	1.2
85.06532	2.3
86.06026	1.0
90.05546	1.6
91.05466	9.2
93.07024	7.5
94.06577	1.2
94.35941	0.6
95.04944	1.5
95.08593	5.9
96.08076	0.8
97.06528	1.5
98.92189	0.7
99.08061	5.4
102.05540	0.7
105.07008	5.9
107.04939	0.9
107.08561	4.3
109.06510	2.2
109.10146	2.5
109.52583	0.9
111.08096	0.9
112.07587	0.8
116.07120	1.1
117.07030	2.5
119.08526	4.5
121.06508	1.6
121.10126	3.7
122.09716	0.9
123.08110	1.1
129.07005	1.0
131.08553	3.4
133.10129	2.9
135.11652	2.6
139.11118	1.1
141.07033	0.9
143.08572	1.8
145.10089	1.9
147.11676	2.0
149.09554	1.1
149.13217	0.9
159.11700	1.6
167.10626	2.0
169.10097	0.8
171.11723	1.0
173.13235	0.8
175.14780	1.4
177.29222	0.7
185.11726	2.0
226.74335	0.7
257.19141	0.7
274.21817	0.9
292.22635	2.0
310.23688	4.5
328.24774	13.8
346.25824	100.0
347.26123	5.7
364.26770	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	364.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.6
56.05019	1.3
57.03430	0.6
57.07071	8.7
65.03932	0.7
67.05499	3.2
67.05787	0.7
68.05019	6.7
69.07041	3.3
70.02942	3.3
70.23650	1.2
70.24064	2.8
71.04958	0.7
71.08617	10.8
79.05471	2.4
80.05000	1.4
81.07050	6.8
82.06560	1.3
85.10162	5.6
91.05449	3.4
93.06990	1.5
95.04921	1.0
95.08585	6.8
96.04497	3.3
97.10178	0.6
103.05443	0.8
105.06979	4.9
106.06527	1.3
107.04919	4.0
110.06010	0.7
111.04424	3.0
112.31980	0.7
115.05458	3.3
119.04880	0.9
119.08530	1.1
121.06404	1.0
123.04408	10.4
130.06512	1.5
131.04929	0.7
132.08063	0.8
133.06461	0.7
134.05997	2.1
135.04361	3.3
137.05963	4.9
138.05414	1.3
139.03899	1.3
143.04910	3.1
151.09641	0.6
152.56859	0.6
155.14293	1.6
157.06451	0.9
158.05977	2.3
160.07564	1.3
161.05933	6.9
162.05458	19.1
164.10591	0.6
175.51373	0.6
176.07016	4.4
177.59204	0.6
178.08594	15.6
194.19060	1.5
196.16919	2.5
198.18457	3.7
201.07861	0.7
206.08116	0.8
208.16917	9.0
232.31445	0.6
238.21729	0.7
244.71335	0.6
314.21063	2.6
332.22128	100.0
333.22461	6.4
340.50342	0.7
364.13303	1.2
364.24689	7.2
364.29153	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2112
Annotation	Consiculine
Peak:m/z	Relative Intensity
50.50056	0.2
54.58488	0.2
55.05494	0.8
57.03427	4.3
57.07060	0.9
65.20839	0.2
69.07045	1.6
71.01362	1.2
71.08628	0.2
71.33282	0.6
74.94180	0.2
79.04245	0.5
80.05003	7.0
81.07059	0.5
81.41712	0.2
85.02891	71.6
86.03234	0.5
92.04993	2.1
93.05775	1.4
94.06544	1.3
95.01305	0.5
97.02908	0.2
103.03925	1.5
106.06538	4.1
108.04458	6.9
109.05274	0.2
111.03193	0.3
113.02363	1.4
117.05756	0.3
118.06524	3.6
120.08075	0.8
121.05251	0.4
122.06008	18.2
130.06522	0.5
131.03377	4.6
132.08080	0.6
134.06007	0.6
134.09657	0.6
135.06741	0.3
136.07567	0.4
146.09650	0.5
148.07544	0.3
148.11197	0.5
149.04510	0.3
150.09154	0.5
160.11189	0.3
192.66045	0.2
216.17451	5.1
234.18484	69.8
234.63556	0.2
235.18900	2.4
260.20087	0.6
346.20129	0.3
364.21118	100.0
365.06586	0.4
365.21564	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	364.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.3
54.58995	1.9
55.01864	12.2
57.07063	8.1
59.04980	2.0
64.66508	1.7
67.05489	7.5
69.03429	12.2
69.07064	10.2
70.02934	5.5
70.06573	3.9
70.13195	11.0
72.04501	27.0
73.02915	12.7
77.75440	2.1
81.03407	21.6
81.07046	2.8
83.04967	5.4
85.02886	17.2
85.06539	11.0
86.09695	5.1
87.08099	3.0
90.05542	45.6
95.04957	10.6
96.08172	1.9
97.02885	15.6
98.02393	16.1
98.20706	1.9
99.04418	4.5
100.03976	5.8
105.06995	6.5
109.02861	30.1
112.07587	4.4
113.06020	7.1
114.05560	3.1
116.03442	21.4
117.08254	2.2
121.10129	3.0
122.09663	5.6
124.07578	21.2
127.03897	17.9
128.71919	1.8
131.06975	3.6
132.06557	7.6
135.04396	3.7
140.07013	3.6
142.08640	13.5
145.04927	8.0
149.06224	2.0
149.09697	2.9
150.32190	2.2
154.08633	2.1
156.10278	2.2
160.09711	6.8
162.07556	2.2
163.03842	5.8
166.08632	5.6
167.10629	9.7
172.09718	5.4
174.11249	8.2
181.51431	2.4
184.09653	30.8
187.05907	2.9
198.07568	5.0
199.05962	7.9
202.10710	100.0
203.11179	2.7
211.09537	9.6
216.08617	5.4
217.06982	6.0
220.11763	32.2
230.10211	12.1
234.09763	13.4
244.11928	2.8
262.12857	18.3
310.12808	8.0
328.13864	48.1
346.14856	8.6
364.16251	19.1
365.09973	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	363.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76550	1.0
55.05498	5.8
57.03410	2.0
57.07066	32.4
67.05492	10.2
69.03426	1.7
69.07052	6.5
69.63258	11.7
70.06570	4.2
71.04973	3.5
71.08624	44.6
81.07049	21.8
83.05004	1.7
83.08598	6.3
84.08135	1.8
85.02892	3.1
85.06552	1.4
85.10168	23.8
91.05472	1.6
93.07014	1.5
95.08601	29.0
97.02840	2.1
97.10154	4.6
105.07005	1.5
109.10127	5.7
119.08575	1.4
121.02782	1.3
123.11671	1.9
132.10184	1.7
137.05933	1.5
137.13228	4.9
150.13513	1.4
155.14293	41.7
156.14687	1.7
183.17438	36.2
201.18474	100.0
202.18813	3.1
363.33075	8.0
364.08130	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11444	1.3
55.05490	4.0
55.17003	1.1
57.07072	8.8
67.05498	5.9
68.80128	1.3
69.07057	5.9
70.13234	7.7
71.08606	7.0
79.05457	2.8
81.07044	11.6
83.08591	2.0
85.10116	1.7
89.05984	5.1
91.05453	2.1
93.07001	4.3
95.08591	8.1
99.08083	2.5
105.06979	3.8
107.08566	5.4
109.06506	16.4
109.10086	3.5
118.13877	1.3
119.08541	4.0
121.10107	3.7
122.07259	1.5
123.03053	1.1
123.08043	35.9
123.11635	2.3
133.08592	1.8
133.10083	4.1
133.39345	1.2
135.08020	3.3
137.09558	2.3
143.08505	1.3
145.10086	2.0
147.11572	2.4
149.09514	1.9
163.11128	1.5
165.12648	2.0
167.14272	1.8
179.14276	94.3
180.14571	2.0
193.15736	2.0
195.12129	3.5
239.13055	1.2
307.22507	2.6
331.26395	2.5
363.28677	100.0
364.29196	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	363.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.05485	1.4
57.03415	2.5
57.07034	0.9
60.04508	1.6
61.02910	1.9
64.09794	0.6
69.03418	17.0
70.19578	3.4
71.04983	5.6
80.24143	0.6
81.03403	25.9
81.07014	0.9
85.02887	55.2
86.09700	0.7
91.05494	0.8
97.02856	3.4
99.04432	25.4
103.03922	57.9
104.04237	0.8
104.72980	0.6
105.03352	2.6
107.04062	0.7
109.02857	24.6
127.03889	100.0
128.04211	1.3
130.08809	0.6
145.04935	12.4
151.03903	1.1
163.06006	1.7
187.05997	9.3
253.06989	3.9
271.08133	3.5
328.08835	0.8
363.08524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01856	0.7
55.05494	0.8
57.03415	2.4
57.07059	1.5
60.04524	0.5
61.02913	1.3
67.05482	1.2
69.03416	16.1
69.72677	1.6
69.73089	2.3
70.06570	0.9
71.04978	6.6
73.02901	1.0
77.74890	0.5
79.05474	1.0
81.03406	26.4
81.07034	1.1
82.03725	0.6
83.01381	0.7
85.02892	55.4
90.05568	0.6
93.07029	1.8
95.08604	0.9
96.35950	0.6
97.02875	4.9
97.06486	0.9
99.04441	29.5
99.08069	0.6
103.03925	58.8
104.04253	1.1
105.03346	0.6
107.08593	0.6
109.02859	24.0
109.10139	0.7
120.08142	0.5
121.06529	0.6
121.10122	1.9
127.03894	100.0
128.04234	1.4
137.09593	0.5
145.04942	12.9
149.09575	0.7
163.05986	2.9
167.06920	0.6
167.10628	0.9
169.03142	0.5
183.10112	0.5
183.13776	1.2
187.05983	8.6
202.10721	0.8
213.70883	0.6
243.12262	0.8
253.07045	3.0
258.14883	0.5
261.03867	0.6
261.13260	0.9
271.08136	1.9
302.17386	1.3
320.18594	1.1
364.16208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46256	1.8
71.23344	5.4
72.94827	1.9
81.06456	1.6
85.02866	2.8
96.33765	1.8
101.94491	1.7
116.07050	4.9
177.74078	1.8
207.96101	1.7
217.11818	3.4
271.85315	2.1
289.63431	1.8
363.06790	100.0
364.07086	4.0
383.43243	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.7
56.96546	2.3
57.03429	3.0
61.02909	2.8
68.39080	1.3
69.03415	8.2
69.07038	1.1
70.06561	3.1
71.04973	1.6
71.79814	1.9
72.08153	2.1
73.02881	1.9
81.03388	3.0
83.04945	1.5
84.08112	2.7
85.02895	40.3
85.06020	1.6
85.06529	27.0
86.09675	2.0
91.03934	2.9
91.05463	1.3
95.04943	1.5
97.02877	15.9
98.97610	8.1
98.98452	100.0
99.04408	1.3
109.02838	2.6
110.07179	1.3
111.04484	1.2
112.07614	1.1
116.98590	9.4
116.99481	7.1
118.06515	2.1
119.04924	1.6
123.04393	2.0
127.03905	13.4
134.99620	3.6
135.04428	1.9
136.07509	1.7
145.04945	20.0
158.99644	5.8
163.03871	4.5
163.05994	5.8
169.06313	1.1
177.00691	10.1
188.06985	1.4
203.17690	1.2
212.07732	1.2
219.01765	4.5
225.01601	4.2
229.10580	2.1
240.07339	2.2
242.05421	1.6
256.06934	1.6
261.03778	3.4
268.06818	2.3
270.08325	2.6
284.08911	1.6
286.07898	3.8
299.10986	2.1
299.13815	2.2
301.06375	2.4
303.07336	2.7
303.10510	2.5
316.08939	3.8
317.11972	4.9
321.08517	1.9
328.08679	1.9
345.11633	3.6
363.05670	2.8
363.12827	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	363.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30339	2.2
63.19865	2.3
70.32357	8.4
90.61536	2.2
129.13982	2.7
237.60626	3.0
305.62991	2.1
348.34677	2.4
363.06799	100.0
363.10120	4.3
363.13974	3.5
364.07196	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	362.232
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
53.03939	0.6
54.01390	0.3
55.05493	1.1
56.05022	0.6
57.07068	5.9
67.05491	2.4
68.05013	2.9
69.07051	1.8
70.02934	1.1
70.38820	0.7
70.39208	0.7
71.08617	7.7
79.05489	0.9
80.04992	0.7
81.07044	4.5
82.06579	2.5
83.08598	0.6
84.04480	0.9
85.06503	0.4
85.10169	4.1
91.05463	3.1
93.07029	1.6
95.04955	7.9
95.08594	5.4
96.04472	2.2
96.08051	0.4
96.73106	0.3
98.06081	0.4
103.05441	0.9
107.04942	11.1
109.06532	0.5
117.06967	0.9
119.04926	11.7
121.06479	5.0
122.06010	1.1
123.04411	17.5
132.08105	0.7
133.06453	0.7
134.05997	0.7
136.07571	2.1
137.05960	0.5
145.06459	4.6
146.05959	0.9
147.04398	5.6
155.14287	1.4
160.07558	4.7
162.09122	10.4
165.05467	4.6
172.07582	0.4
185.08307	0.4
192.17375	0.5
194.19028	0.8
196.16978	1.5
198.18501	12.6
199.18765	0.6
208.09634	6.0
208.16919	1.4
210.18504	0.9
218.45943	0.4
247.09724	0.4
278.48465	0.4
298.21619	1.7
316.22672	17.3
317.23148	1.0
362.23190	100.0
363.23563	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	362.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	0.3
57.07029	1.2
58.06554	0.4
67.05447	0.3
69.07024	0.9
70.06574	2.1
71.08610	1.3
71.79043	0.4
81.07018	0.6
84.36735	0.3
86.09679	0.3
87.04449	30.3
87.24149	0.3
88.04745	0.4
88.07597	0.6
88.19176	0.3
93.05765	1.6
94.06509	0.5
95.08575	0.5
106.06562	1.9
107.07318	1.8
108.04411	1.0
117.05680	1.1
118.06456	0.9
120.08033	1.1
121.08842	0.3
122.05986	0.5
122.09621	1.7
130.06464	0.9
131.07271	0.5
132.08063	2.3
132.10141	1.0
134.05974	1.8
134.09596	0.9
135.06815	0.4
136.11191	1.5
137.05930	0.4
146.05962	0.5
146.09613	0.9
146.11667	0.8
147.04254	0.3
148.07549	1.8
148.11188	1.6
150.09126	1.9
151.53087	0.3
155.14323	0.3
160.11168	1.2
161.11864	0.3
162.09151	1.9
164.10674	2.6
178.12210	0.4
192.13855	0.3
212.23598	0.3
232.20512	0.4
234.18498	0.9
234.22098	1.6
256.26328	1.6
258.22113	3.2
259.16977	0.2
276.23178	49.1
277.23444	3.6
292.09778	0.3
300.28906	4.9
344.22180	0.5
346.60364	0.3
362.26849	100.0
362.32413	11.7
363.27176	9.2
363.32150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2319
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
55.05487	0.7
56.96535	0.9
57.07061	4.4
59.19225	0.6
67.05472	2.3
69.07037	1.6
70.06570	2.3
70.28889	2.5
71.08614	5.5
72.08115	0.7
79.05476	1.2
81.07041	4.1
85.10151	2.1
86.09684	0.9
87.04451	8.1
91.05449	1.8
93.07030	1.2
95.04977	1.4
95.08616	3.6
97.02856	2.2
98.21344	0.7
105.03360	2.0
105.07052	1.1
106.03687	0.6
106.06535	1.4
107.04908	1.6
107.08530	0.7
118.06538	0.7
119.04903	1.6
120.08073	1.8
121.02860	0.8
121.06500	3.6
122.06032	0.7
123.04394	3.1
130.06516	1.8
131.04944	0.7
132.04381	0.6
132.08051	1.5
133.05301	0.8
133.06451	0.9
134.05966	1.7
134.09604	0.7
145.06435	0.9
146.05861	0.8
147.04359	0.8
147.06763	2.3
148.07542	8.5
149.08301	0.6
150.09103	0.7
153.05443	1.4
158.05998	1.1
160.03896	2.7
160.07437	0.6
161.08324	0.7
162.09097	3.6
164.07036	1.0
164.10736	0.9
165.05458	1.2
173.05972	0.6
175.06242	0.9
176.07043	4.8
177.07796	0.9
179.07008	0.9
180.10155	0.9
189.07817	0.8
190.08580	6.4
192.06439	1.4
198.18503	2.1
204.06517	0.8
207.08871	2.3
208.09650	11.7
210.18515	1.0
218.08072	4.8
227.51958	0.6
231.08908	1.7
243.06422	1.7
256.26358	1.1
258.22003	1.4
260.20139	1.7
274.21689	1.6
276.23175	13.9
278.07922	0.6
288.23117	0.7
292.23062	0.7
300.19498	1.0
300.28885	2.6
302.21069	6.6
316.22687	12.5
330.20587	15.1
331.71582	0.7
334.23663	3.7
341.09628	0.8
344.09366	0.8
344.22171	5.4
361.60959	1.3
362.23126	100.0
362.26974	21.4
362.32584	7.5
363.12946	1.1
363.23346	6.6
363.26923	0.7
378.64276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84192	0.5
53.03925	0.7
55.01857	0.8
56.05011	0.7
57.03413	1.6
59.47489	0.6
61.02900	1.6
61.41979	0.5
67.05488	0.7
69.03407	5.5
69.07040	1.4
70.06575	2.2
70.58279	1.9
73.02888	1.2
79.05492	0.6
81.03398	1.6
81.07041	0.5
83.01337	0.6
84.04440	0.8
84.08135	1.2
85.02891	14.5
86.09690	4.8
87.04422	0.7
88.03970	0.8
89.03906	0.7
91.05459	2.0
93.07014	1.1
94.06579	3.7
95.04916	1.2
96.08119	0.7
97.02879	4.4
97.06494	0.8
99.04436	0.8
107.04945	0.6
108.08103	4.2
109.02868	0.9
109.06489	1.4
110.06003	3.4
112.03930	0.8
112.07574	1.0
116.07050	0.7
117.03386	1.0
118.06455	0.7
119.04892	0.9
119.08625	0.7
120.08059	1.0
121.06487	1.0
122.06004	14.9
123.04422	3.7
124.07594	0.6
127.03886	2.2
135.04387	2.0
136.07550	14.1
137.05949	1.2
138.05486	0.9
138.09102	1.6
139.07521	0.9
140.07039	20.5
145.02818	1.6
145.04939	1.9
147.04367	1.2
147.68857	0.6
154.08612	14.2
159.70006	0.6
163.03868	6.4
164.04295	0.6
164.06995	3.7
165.05504	2.6
182.08101	16.9
182.40230	0.6
183.06447	0.7
183.08513	0.7
187.14442	0.7
199.10875	0.7
200.09149	100.0
201.09523	3.4
201.12360	2.3
215.13922	0.8
216.11356	0.8
216.30707	0.5
218.08191	0.6
229.11800	0.8
237.02855	1.0
239.07005	0.9
252.97945	0.6
269.07956	1.2
283.08438	0.7
284.09213	1.2
285.07495	1.3
300.06137	1.6
302.10196	2.8
315.08603	1.3
316.11819	0.9
344.11035	1.5
344.14874	7.3
362.12079	5.2
362.19598	0.6
387.05911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.123
Annotation	N-hydroxy-4-aminobiphenyl glucuronide
Peak:m/z	Relative Intensity
51.91157	0.6
53.22575	0.5
55.01846	0.7
56.05046	0.5
57.03427	1.0
57.07111	0.5
58.03750	0.7
61.02912	0.9
68.99804	0.7
69.03411	2.2
70.06571	0.9
70.33212	0.8
71.78577	0.8
74.06074	0.8
81.03386	0.9
84.04494	1.7
84.08139	0.8
85.02885	7.9
85.06532	3.9
86.09694	6.1
86.85607	0.5
89.03844	0.6
91.03917	0.6
91.05427	0.9
95.04955	0.7
96.46812	0.5
97.02889	1.8
98.97589	1.2
98.98448	13.7
99.04483	0.8
109.02860	0.7
116.98587	2.1
116.99385	0.7
121.06531	1.0
123.04448	0.9
126.10760	0.5
127.03896	2.4
130.04880	0.6
134.99651	0.9
135.04424	0.6
136.06169	1.9
140.07027	0.6
141.06927	0.7
145.04906	2.8
148.06003	0.8
153.06978	0.7
158.99657	1.2
163.03850	3.5
164.06956	0.6
169.06375	0.7
177.00627	1.2
179.10577	1.0
181.06384	1.2
182.08110	1.1
183.04672	0.6
183.08029	0.7
184.05203	1.2
188.06953	0.7
196.05196	1.1
197.05927	0.8
198.06708	0.7
199.07755	0.8
200.09117	1.0
201.05319	0.7
204.06557	1.9
211.07581	3.7
212.04686	0.8
213.05406	1.6
213.07874	2.2
215.03300	0.6
216.06512	0.7
218.08083	1.1
219.01836	0.8
224.04753	1.0
224.07155	1.6
225.05385	1.0
226.06146	3.7
227.07080	1.5
229.04964	1.9
230.08035	0.9
231.08775	3.5
236.13100	0.7
239.07016	5.1
240.06522	1.3
241.05000	1.1
241.08720	1.0
242.05684	1.7
242.08080	1.5
243.06635	3.4
243.08752	0.8
249.10753	0.8
252.03928	0.7
252.06442	0.9
253.04883	0.7
254.05763	2.3
255.06458	6.6
255.08977	2.7
256.07117	2.8
256.09659	5.0
257.04440	2.4
257.08020	1.0
258.05182	0.9
265.07269	0.8
266.08109	1.2
267.06442	5.6
268.06195	1.4
269.08112	15.8
270.05048	1.1
270.07959	2.3
271.05954	1.5
271.09302	0.8
272.06683	2.0
273.07907	2.1
280.03510	1.1
282.04990	0.7
283.05811	2.8
283.08411	8.1
284.06607	1.5
284.09204	6.9
285.03967	3.3
285.07520	13.2
285.10464	1.0
286.07956	0.8
287.09119	1.0
294.07507	1.1
295.05972	4.1
297.07367	0.9
298.10736	8.4
299.09030	6.1
300.06253	24.2
300.09314	1.1
301.06747	1.9
302.10220	6.8
311.07849	1.2
312.08755	7.0
313.08969	0.8
315.08594	18.5
316.08768	1.2
316.11813	15.8
317.12189	1.6
326.10144	4.0
327.08521	8.8
328.08743	1.4
330.09631	2.1
344.11234	18.4
345.09659	1.6
362.12305	100.0
363.08258	0.6
363.12781	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	361.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
55.01849	0.3
55.05499	1.9
57.03385	0.2
57.06793	0.4
57.07064	6.2
65.03934	0.2
67.05493	3.9
69.06725	0.2
69.07055	3.1
69.77911	0.8
69.78352	0.8
71.01333	1.3
71.04960	0.3
71.08238	0.3
71.08618	5.5
79.05479	2.2
81.03410	1.4
81.06597	0.4
81.07043	6.5
83.04965	0.3
83.08591	1.0
85.02878	0.2
85.10168	3.1
91.05453	1.5
93.07026	1.7
95.04947	3.1
95.08589	4.7
96.05344	0.2
97.06516	0.3
97.10107	0.2
103.05450	0.2
105.07022	1.6
107.04916	0.6
107.08550	1.0
109.02858	2.8
109.06504	0.8
109.10111	1.1
117.06992	0.7
119.07789	0.2
119.08518	0.9
121.02797	0.2
121.06476	0.4
121.10123	1.5
123.03596	0.3
123.04408	2.7
123.11682	0.8
125.05956	0.7
127.66213	0.2
129.06993	0.4
131.08525	0.5
133.06493	0.6
133.10147	0.6
136.05148	0.3
137.05949	0.7
137.13223	1.0
145.06383	0.3
145.10052	0.3
147.08020	0.5
147.11676	0.4
149.05923	0.4
149.09567	0.3
151.07530	0.3
155.14284	3.4
157.10072	0.2
161.09601	0.2
161.13234	0.5
163.07498	0.3
171.11668	0.3
185.13318	0.2
189.12729	0.8
201.12822	0.4
207.13786	3.2
207.17395	2.2
225.14812	3.7
227.14354	0.2
235.16916	2.1
249.18440	2.7
261.18442	0.3
269.60983	0.2
301.21542	0.4
302.97644	0.2
315.63705	0.2
325.25186	0.4
343.26318	2.4
344.26752	0.3
361.27444	6.0
361.30963	100.0
362.27441	0.4
362.31293	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.3092
Annotation	Aglaiabbreviatin C
Peak:m/z	Relative Intensity
53.03941	0.5
55.01840	0.3
55.05495	1.6
57.07065	4.1
60.81835	0.2
64.79064	0.2
66.98340	0.2
67.05489	2.8
69.07051	2.3
70.31017	0.2
71.08617	2.6
77.63799	0.2
79.05463	1.2
81.03408	1.5
81.07036	2.7
83.04942	0.4
83.08611	0.5
85.10152	1.0
91.05473	1.4
91.73682	0.2
93.07008	1.0
95.04933	3.2
95.08593	2.1
95.29012	0.2
95.75326	0.2
97.06523	0.4
105.07028	1.6
107.04976	0.4
107.08540	0.7
109.02848	2.5
109.06483	0.9
109.10104	0.5
111.04409	0.3
117.07014	0.4
119.08543	0.8
121.06469	0.4
121.10175	0.3
123.04415	2.7
123.08035	0.3
123.11609	0.3
125.05946	0.5
129.01791	1.8
129.06885	0.3
131.08525	0.6
133.06461	0.4
133.10074	0.8
136.05188	0.4
137.05908	0.3
137.09625	0.4
143.08571	0.3
145.10051	0.6
147.08017	0.3
147.11632	0.4
149.13245	0.3
151.07561	0.3
173.13159	0.3
185.08102	1.2
196.39882	0.3
205.08571	0.3
207.17406	2.4
215.33405	0.3
223.09668	0.3
235.16940	1.9
249.18478	2.5
303.05753	0.3
343.18610	0.5
356.33118	0.3
361.30927	100.0
362.31241	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	361.3094
Annotation	Aglaiabbreviatin C
Peak:m/z	Relative Intensity
50.47034	0.1
53.00292	0.2
53.03921	0.4
55.01847	0.2
55.05249	0.2
55.05495	1.1
57.03411	0.1
57.07066	3.9
64.01036	0.1
64.80889	0.1
65.03939	0.1
67.05492	2.2
68.43382	0.1
69.06721	0.2
69.07053	2.0
71.08618	2.8
71.42562	0.3
79.05479	1.5
81.03403	1.0
81.07042	2.2
82.87128	0.1
82.92641	0.1
83.01331	0.2
83.04956	0.4
83.08599	0.7
85.02858	0.2
85.10157	1.1
91.05453	1.0
93.07041	0.7
94.04175	0.1
95.04949	2.6
95.08582	1.9
97.06474	0.4
98.43723	0.1
103.05428	0.3
104.05780	0.1
105.07012	7.8
106.07341	3.4
107.04913	0.4
107.08559	0.4
109.02853	2.4
109.06483	0.6
109.10120	0.3
119.08554	0.4
121.06429	0.2
121.10051	0.1
122.09648	2.1
123.04413	2.2
123.09991	1.0
125.05956	0.5
133.10120	0.3
135.08006	0.2
136.05154	0.3
137.05914	0.5
147.07977	0.1
151.07492	0.2
182.29106	0.1
207.17393	2.1
214.36154	0.1
235.16887	2.4
249.18488	2.5
252.94183	0.1
261.18448	0.3
361.30887	100.0
362.31238	6.4
383.43088	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	361.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01853	0.2
55.05504	1.3
57.07069	3.6
60.91968	0.1
67.05488	2.4
69.07050	2.4
69.84595	0.2
71.04987	0.2
71.08617	2.8
71.53239	0.3
73.55967	0.2
79.05477	1.0
81.03400	1.1
81.07045	2.4
83.01337	0.4
83.04954	0.5
83.08578	0.6
85.02910	0.3
85.10169	1.2
91.05447	1.0
93.07042	1.0
95.04948	3.1
95.08592	2.1
97.06463	0.3
97.94854	0.2
105.06998	0.5
107.04936	0.5
107.08573	0.4
109.02859	3.0
109.06476	0.7
109.10095	0.4
119.08527	0.4
121.06496	0.2
123.04398	2.3
123.08048	0.3
125.05972	0.6
126.31412	0.2
129.66255	0.2
133.10127	0.3
135.08043	0.2
136.05147	0.4
137.05948	0.5
143.08563	0.2
147.07951	0.2
149.05969	0.2
185.08025	0.2
207.17395	2.6
231.12782	0.2
235.16943	2.3
249.18465	2.6
266.39969	0.2
275.01471	0.2
361.30933	100.0
362.31277	5.9
362.34927	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	361.3095
Annotation	Aglaiabbreviatin C
Peak:m/z	Relative Intensity
53.03938	0.2
55.01857	0.4
55.05511	1.4
57.07067	3.2
59.02885	0.2
65.03920	0.3
67.05493	2.1
67.54102	0.2
69.07061	2.4
69.44691	0.2
69.50782	0.2
69.51183	2.0
71.08620	2.1
79.05480	1.4
81.03418	1.0
81.07046	2.2
83.04986	0.2
83.08582	0.4
85.02863	0.2
85.10188	1.3
91.05465	1.1
93.07016	0.8
95.04952	2.5
95.08586	1.7
97.06516	0.3
105.07026	1.2
107.04940	0.4
107.08567	0.7
109.02872	2.2
109.06496	0.6
109.10115	0.2
119.08580	0.5
121.06474	0.2
121.10101	0.3
123.04408	2.0
125.05946	0.5
130.05904	0.2
133.10103	0.6
135.08020	0.3
136.05121	0.3
137.05952	0.5
143.08548	0.2
145.10089	0.3
147.11711	0.5
149.13199	0.4
173.13255	0.6
178.47667	0.2
207.17407	1.9
235.16856	1.9
249.18462	1.9
291.70404	0.2
343.30316	0.2
361.30951	100.0
362.31277	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	361.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.3
53.03934	0.3
55.01871	0.4
55.05271	0.1
55.05502	1.5
57.07065	5.6
58.20508	0.2
63.80865	0.2
67.05490	2.8
69.07056	3.1
71.04974	0.2
71.08624	2.8
79.05481	1.4
81.03411	1.4
81.06597	0.2
81.07043	3.2
83.04973	0.5
83.08588	0.7
85.02894	1.4
85.10152	1.4
91.05473	1.0
92.02535	0.2
93.07025	1.2
93.13394	0.2
95.04947	3.6
95.08598	2.9
97.06542	0.4
97.10142	0.3
105.07036	1.2
107.04958	0.4
107.08588	0.8
109.02171	0.2
109.02867	2.6
109.06509	0.6
109.10132	1.2
111.08085	0.2
117.07008	0.2
119.08546	0.7
121.06492	0.4
121.10099	0.2
123.04417	1.9
123.11709	0.2
125.05975	0.6
129.01848	0.8
133.10110	0.7
136.05164	0.2
137.05951	0.4
143.08440	0.2
145.10049	0.3
147.08026	0.2
149.09724	0.2
151.07533	0.3
155.14279	0.3
161.13185	0.2
183.17325	0.2
185.08046	0.5
207.17401	2.8
235.16882	2.3
239.19978	0.3
249.18527	2.2
250.06244	0.5
306.12515	0.3
343.19019	0.4
343.29880	0.6
361.30942	100.0
362.18933	0.4
362.31256	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	361.3094
Annotation	Aglaiabbreviatin C
Peak:m/z	Relative Intensity
51.64672	0.2
53.03931	0.4
55.01847	0.4
55.05274	0.2
55.05508	1.6
57.06795	0.2
57.07071	3.9
61.57444	0.2
64.36183	0.2
65.66817	0.2
67.05495	2.6
69.07055	2.2
71.08623	2.3
71.70421	0.4
79.05472	1.2
81.03402	1.2
81.07047	2.5
83.04974	0.3
83.08605	0.6
85.06503	0.2
85.10153	0.9
91.05463	1.3
93.07031	0.9
95.04951	3.0
95.08584	1.9
97.06477	0.2
105.07012	0.7
107.04924	0.4
107.08572	0.6
109.02855	2.7
109.06497	0.8
109.10173	0.3
119.07674	0.2
119.08561	0.5
121.06491	0.4
123.04399	1.9
125.05969	0.8
129.01831	0.5
133.10109	0.3
135.08066	0.3
135.11548	0.2
136.05138	0.4
137.05963	0.7
143.08502	0.2
178.68562	0.2
185.07970	0.2
205.08652	0.3
207.17398	2.4
235.16924	2.3
245.06717	0.2
249.18509	2.7
261.18329	0.3
343.18713	0.3
343.95425	0.3
361.30951	100.0
362.31293	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	361.3093
Annotation	Aglaiabbreviatin C
Peak:m/z	Relative Intensity
53.71538	0.2
55.05496	1.7
56.79646	0.2
57.07066	3.7
58.03143	0.2
67.05489	2.1
69.07052	2.2
71.04983	0.2
71.08617	2.6
71.32311	0.4
72.08139	0.5
79.05482	1.1
79.94186	0.2
81.03385	1.3
81.07043	2.3
83.04967	0.4
83.08619	0.2
85.02882	0.4
85.06528	0.8
85.10157	1.2
91.05455	1.0
93.07029	1.0
95.04949	3.3
95.08588	2.4
97.06511	0.4
105.07001	1.0
107.04922	0.3
107.08590	0.7
109.02844	2.0
109.06509	0.7
109.10138	0.4
111.04409	0.3
119.08577	0.5
121.06467	0.4
121.10127	0.3
123.04403	2.7
125.05975	0.6
127.86439	0.2
129.01791	0.6
131.08543	0.3
133.10155	0.3
135.11662	0.3
136.05150	0.3
137.05951	0.5
145.10091	0.3
149.05923	0.3
149.09593	0.3
155.14267	0.3
157.10146	0.2
161.09706	0.2
163.11211	0.2
165.12791	0.2
185.07991	0.3
207.17409	2.2
235.16855	1.9
249.18484	2.7
261.18408	0.3
343.18967	0.2
361.30948	100.0
362.31299	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	361.3094
Annotation	Aglaiabbreviatin C
Peak:m/z	Relative Intensity
51.71649	0.1
53.03927	0.4
55.01857	0.3
55.05502	1.5
57.07067	3.2
67.05238	0.1
67.05499	1.5
69.07058	2.0
70.38731	0.8
71.08624	1.8
79.05482	1.0
81.03402	0.9
81.07043	2.1
83.01356	0.2
83.04958	0.4
83.08594	0.5
85.02856	0.2
85.10159	0.9
91.05467	0.8
93.07016	0.5
94.04210	0.2
95.04955	2.1
95.08076	0.2
95.08583	1.1
97.06502	0.3
105.07000	0.7
107.04900	0.4
107.08562	0.5
109.02853	1.8
109.06496	0.6
109.10138	0.4
112.04486	0.1
117.06937	0.2
119.08548	0.6
123.04408	2.0
125.05959	0.5
125.97375	0.2
129.01790	0.3
133.10121	0.4
135.08012	0.2
137.05927	0.3
148.33553	0.2
155.95039	0.2
175.80606	0.2
207.17407	2.0
235.16878	2.1
249.18445	2.0
261.18530	0.3
361.30942	100.0
362.31311	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	361.3093
Annotation	Aglaiabbreviatin C
Peak:m/z	Relative Intensity
53.03939	0.2
55.05484	1.2
57.07069	3.1
65.03910	0.3
67.05489	2.4
69.07056	2.3
71.08617	1.9
71.60285	0.3
76.21508	0.2
79.05476	1.1
81.03412	1.2
81.07030	1.7
83.01327	0.2
83.04938	0.3
83.08595	0.5
85.02875	0.3
85.10168	1.0
91.05450	0.9
93.07008	0.8
95.04957	2.4
95.08591	1.8
97.06512	0.3
105.06981	0.7
107.04968	0.2
107.08579	0.2
109.02856	2.1
109.06520	0.4
109.10095	0.2
109.74268	0.2
119.08571	0.4
123.04424	2.3
125.05972	0.7
136.05186	0.3
137.05988	0.4
147.08043	0.2
161.49152	0.2
170.56163	0.2
173.40569	0.3
207.17436	2.6
235.16847	2.2
249.18446	2.1
288.33322	0.2
361.30942	100.0
362.31287	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	361.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.05501	1.4
57.03407	0.3
57.06828	0.3
57.07068	3.6
67.05495	2.3
68.43907	0.3
69.07059	2.4
71.04966	0.2
71.08617	2.4
71.84293	0.3
77.60056	0.2
79.05475	1.2
81.03403	1.3
81.06589	0.3
81.07044	3.2
83.04952	0.3
83.08596	0.6
85.10164	1.2
88.46316	0.2
91.05469	1.1
93.07047	1.2
95.04955	3.0
95.08581	2.1
97.06510	0.4
98.21458	0.5
105.07015	1.1
107.04963	0.6
107.08588	0.5
109.02853	2.4
109.06515	0.5
111.08018	0.3
119.08574	0.7
121.06523	0.2
123.04418	1.9
125.06008	0.6
129.01807	0.5
129.07074	0.3
133.10107	0.3
133.53134	0.3
135.08063	0.3
136.05193	0.3
137.05942	0.2
151.07510	0.3
155.14288	0.3
169.33656	0.2
185.07964	0.3
207.17442	2.3
229.15582	0.3
230.14571	0.3
235.16866	2.3
249.18460	1.8
261.18326	0.2
309.14404	0.3
361.30945	100.0
362.31314	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	361.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.2
53.03921	0.4
55.01849	0.3
55.05501	1.6
57.03415	0.2
57.07065	3.6
65.03918	0.3
67.05492	2.4
69.07053	2.4
71.04954	0.2
71.08617	2.4
71.82824	0.2
73.28099	0.1
75.61031	0.1
79.05473	1.1
81.03393	1.2
81.07035	2.4
83.01311	0.3
83.04951	0.3
83.08587	0.4
85.02898	0.3
85.06500	0.1
85.10163	1.1
91.05457	1.1
93.07035	0.7
94.04153	0.1
95.04955	2.4
95.08591	1.6
97.06490	0.2
97.10125	0.2
105.06995	0.9
107.04961	0.5
107.08569	0.5
109.02851	2.5
109.06488	0.6
109.10141	0.3
111.08057	0.2
119.08533	0.4
121.02914	0.2
121.06495	0.3
123.04404	2.2
125.05963	0.5
129.01804	0.3
129.06944	0.1
133.06410	0.2
133.10114	0.3
135.04321	0.1
135.07979	0.3
135.11731	0.3
136.05150	0.5
137.05939	0.4
149.09569	0.1
151.07484	0.3
155.14294	0.2
165.09053	0.2
175.51443	0.1
177.75084	0.1
185.07996	0.2
207.17406	2.5
223.09395	0.2
235.16901	2.4
249.18451	2.3
261.18488	0.3
275.56842	0.1
322.96826	0.1
354.01514	0.1
361.30927	100.0
362.31271	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	361.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.5
55.01851	0.3
55.05497	2.0
57.07066	6.6
65.03899	0.2
67.05491	4.8
69.03403	0.3
69.07056	3.2
69.81136	1.4
71.01342	1.9
71.04964	0.3
71.08233	0.3
71.08621	6.7
79.05483	2.2
81.03410	1.2
81.07044	8.5
82.07372	0.2
83.01336	0.3
83.04957	0.5
83.08596	0.7
85.02855	0.2
85.06483	0.2
85.10168	3.3
91.05458	1.5
93.07034	1.6
94.04185	0.3
95.04954	2.8
95.08593	6.0
97.06503	0.5
97.10136	0.2
99.04456	0.2
105.07012	1.6
107.04934	0.7
107.07957	0.2
107.08580	0.8
109.02862	2.3
109.06509	1.0
109.09464	0.2
109.10143	1.6
111.04416	0.3
117.07012	0.5
119.04924	0.2
119.08543	1.5
121.06477	0.5
121.10123	2.0
123.04404	3.3
123.08034	0.3
123.11684	1.3
125.05969	0.7
129.01826	0.4
129.06969	0.5
131.08516	0.5
133.06372	0.4
133.10130	1.0
135.04428	0.2
135.08009	0.4
136.05206	0.2
137.05968	0.7
137.13249	1.6
142.68462	0.2
143.08536	0.4
145.06491	0.4
145.10095	0.5
147.08040	0.5
147.11684	0.5
149.05966	0.4
151.07455	0.3
155.14278	4.4
157.10135	0.2
159.08034	0.3
161.05798	0.2
161.09552	0.3
161.13261	0.5
163.07494	0.3
163.11127	0.2
165.12718	0.3
171.08099	0.3
171.11655	0.3
173.13219	0.2
185.08028	0.3
189.12691	1.4
194.34109	0.2
197.15388	0.3
201.12723	0.4
207.13774	4.9
207.17381	2.4
208.14122	0.2
219.13821	0.3
225.14804	5.9
226.15031	0.2
235.16879	2.2
241.18004	0.3
245.15456	0.2
249.18468	2.9
259.16858	0.3
261.18533	0.3
261.78467	0.1
265.17963	0.2
275.19955	0.2
283.20547	0.2
287.20053	0.2
301.21597	0.7
305.21194	0.3
315.26767	0.3
325.25214	0.4
343.19662	0.2
343.26291	4.0
343.30298	0.3
344.26666	0.5
361.27313	8.1
361.30978	100.0
362.27567	0.6
362.31335	5.3
362.35583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2729
Annotation	[12]-Shogaol
Peak:m/z	Relative Intensity
50.65674	1.7
50.65936	1.3
53.03955	1.5
55.05501	8.3
57.07063	40.6
67.05493	32.6
68.99789	1.7
69.07063	13.3
69.67883	14.0
71.01339	21.7
71.08236	2.9
71.08616	49.3
74.14230	1.5
79.05482	9.9
81.03395	1.6
81.07040	66.1
83.04917	1.6
83.08604	4.4
85.02864	2.4
85.10167	27.2
91.05462	7.2
93.07032	13.7
95.04946	6.9
95.08584	46.2
96.08876	2.5
97.06512	2.5
99.04458	2.5
102.49313	1.5
105.06989	9.1
105.45499	1.5
107.04924	3.3
107.08578	4.9
109.02821	3.8
109.06512	5.5
109.10136	13.3
111.04456	2.5
117.06960	3.6
118.19934	1.6
119.08575	8.4
121.06484	5.7
121.10120	15.8
123.04417	6.3
123.08060	2.2
123.11666	10.7
125.05941	3.1
128.06187	1.8
129.01804	8.0
129.06975	4.8
131.08542	6.3
133.06485	3.5
133.10107	4.9
135.07979	1.9
135.11656	2.0
137.05984	2.2
137.13220	15.6
143.08505	2.4
145.06445	4.3
145.10103	5.3
147.08037	4.6
147.11670	4.7
149.09619	2.0
151.07504	1.8
155.14272	41.4
155.15466	3.4
159.08051	2.0
161.06038	2.0
161.13229	3.1
163.07521	4.7
165.12701	3.2
171.08040	2.1
171.11774	1.6
173.09581	2.0
173.13205	2.2
176.75333	1.6
183.11719	1.8
183.36734	1.5
185.08043	3.6
189.12724	10.6
191.14244	1.8
201.12701	5.0
207.11798	2.2
207.13762	46.6
207.15604	2.9
207.17300	2.6
217.12276	2.9
219.13643	2.0
225.14804	55.8
226.15269	4.2
249.18498	6.9
259.17020	2.6
265.17850	3.3
287.19946	2.6
301.21600	5.7
305.21109	3.2
315.26709	1.9
325.25244	2.3
333.27655	1.9
335.81171	1.6
343.19272	2.6
343.26227	34.8
344.26529	3.1
361.27222	100.0
361.31046	86.2
362.27356	10.4
362.31543	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	360.3254
Annotation	Pachyaximine A
Peak:m/z	Relative Intensity
57.07054	0.3
67.05481	0.2
69.07050	0.2
71.00587	0.3
71.00909	0.2
71.08630	0.3
81.07023	0.3
83.08653	0.2
93.05771	1.3
94.06566	0.3
95.04932	0.3
96.04541	0.2
106.06529	2.1
107.07310	0.5
120.04457	0.3
120.08088	1.2
121.01530	0.2
121.08884	0.3
122.06024	0.4
123.04379	0.2
125.04702	0.5
134.09637	0.3
135.06769	4.6
136.07547	0.5
148.07559	2.8
148.11156	0.3
149.08308	0.6
162.09117	0.5
162.12750	0.3
176.10690	0.1
190.12216	0.2
202.75604	0.2
204.13853	0.3
206.19017	1.6
232.20557	0.4
234.18527	0.7
235.16833	0.3
247.98416	0.1
248.20059	12.0
249.20522	0.4
260.20081	3.6
262.21649	0.3
274.21576	0.6
302.24771	0.2
312.38300	0.2
360.32544	100.0
361.30606	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	361.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36786	0.6
52.72477	0.5
53.03925	0.6
55.01855	1.5
55.05504	1.1
57.03439	0.7
61.02906	1.2
65.03875	0.5
66.55106	0.5
67.05476	1.0
69.03415	2.2
70.06573	1.8
71.27996	1.2
78.87018	0.6
79.05489	7.8
81.03399	1.8
81.07045	2.0
85.02876	4.8
86.09685	2.0
86.87385	0.6
91.05460	5.3
93.07028	13.4
95.04951	3.1
95.08601	1.1
97.02865	2.0
101.06017	1.2
105.07037	0.8
107.04920	1.7
109.02828	1.0
111.04449	0.7
111.08077	1.4
116.07058	2.0
119.04915	1.5
121.06489	18.2
123.04447	0.8
123.08038	8.5
126.10468	0.5
127.03905	1.7
135.04459	0.6
137.05965	1.0
139.07520	16.1
139.08543	1.2
145.04903	1.2
147.04362	3.8
149.05946	5.9
154.54410	0.6
162.91193	0.5
163.03935	1.0
165.09079	1.1
167.07013	100.0
168.07347	2.4
168.77983	0.5
169.02570	1.1
181.04916	0.8
181.08650	0.7
181.12230	0.8
185.08064	2.5
187.04068	0.6
199.09625	32.1
215.05174	2.6
223.09668	0.6
259.11746	1.0
302.10086	1.2
343.19055	1.3
361.08517	3.9
361.12711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2526
Annotation	Corumdizinine
Peak:m/z	Relative Intensity
54.54898	0.5
55.01840	0.8
55.05484	2.3
57.07064	9.3
65.03894	0.5
67.05486	3.3
69.07052	2.9
69.90798	2.7
69.91212	1.1
70.02906	0.6
70.06562	2.3
71.08619	11.9
72.08150	4.0
79.05471	1.8
81.07043	7.2
83.08604	1.4
85.10167	5.9
91.05463	8.0
93.07058	0.9
95.08595	8.9
96.04456	3.1
98.06028	1.4
103.05458	3.7
105.07025	8.6
106.06552	1.2
107.08575	1.0
109.10113	0.6
117.06975	1.9
118.06493	1.3
120.08086	8.5
121.05676	1.1
121.06483	9.9
128.06216	1.1
129.01776	0.9
129.06987	6.1
129.63058	0.6
129.73195	0.6
130.06502	2.2
131.04926	1.0
133.10147	0.8
135.08008	0.9
137.13223	1.4
143.08478	1.1
144.08087	3.5
146.09618	16.6
155.14302	2.0
163.07576	0.7
165.12723	1.0
169.08815	0.6
170.09605	0.7
174.09058	1.3
206.11726	22.0
208.16968	3.5
248.20123	0.7
249.18398	0.6
262.21576	0.7
282.22144	3.7
298.49072	0.7
300.23181	27.6
301.23511	1.3
343.18860	0.9
360.25256	100.0
361.21237	0.7
361.25604	5.1
361.30856	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	360.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
53.40517	1.0
54.76850	1.1
55.01859	9.2
56.05021	1.6
57.03420	7.2
61.02914	4.2
61.46286	1.2
69.03418	35.8
70.06583	2.8
71.04998	1.6
71.27961	2.4
71.28313	1.1
71.66348	1.1
73.02904	5.6
81.03413	3.2
85.02892	100.0
86.03229	1.3
91.03889	1.5
97.02877	38.6
99.04434	9.1
101.02361	4.8
103.03966	1.2
109.02835	5.4
115.03920	4.8
122.14439	1.1
127.03894	76.5
128.04205	2.3
133.04982	1.3
135.04343	1.2
145.04932	71.1
163.03885	4.5
163.05992	19.1
178.12262	1.0
180.08664	3.0
190.08958	1.3
198.09799	2.0
212.85068	1.6
222.70200	1.1
245.05089	1.4
275.06049	2.5
319.64825	1.1
360.08557	2.1
360.13330	1.3
379.37213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
53.40517	1.0
54.76850	1.1
55.01859	9.2
56.05021	1.6
57.03420	7.2
61.02914	4.2
61.46286	1.2
69.03418	35.8
70.06583	2.8
71.04998	1.6
71.27961	2.4
71.28313	1.1
71.66348	1.1
73.02904	5.6
81.03413	3.2
85.02892	100.0
86.03229	1.3
91.03889	1.5
97.02877	38.6
99.04434	9.1
101.02361	4.8
103.03966	1.2
109.02835	5.4
115.03920	4.8
122.14439	1.1
127.03894	76.5
128.04205	2.3
133.04982	1.3
135.04343	1.2
145.04932	71.1
163.03885	4.5
163.05992	19.1
178.12262	1.0
180.08664	3.0
190.08958	1.3
198.09799	2.0
212.85068	1.6
222.70200	1.1
245.05089	1.4
275.06049	2.5
319.64825	1.1
360.08557	2.1
360.13330	1.3
379.37213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29395	1.2
57.07030	1.1
60.04499	1.3
67.05465	3.5
69.03394	1.3
69.07033	1.2
70.06581	1.4
71.80760	2.0
77.98811	1.4
81.03381	2.3
81.07031	1.6
85.02880	4.0
85.06499	1.3
86.09683	4.9
91.05449	1.2
93.07016	1.6
95.08647	1.8
95.35638	1.0
97.02846	1.2
104.05715	1.1
105.03339	4.1
105.06979	1.4
107.04934	1.6
109.02843	2.7
109.10115	3.5
115.05426	1.4
127.03895	2.0
145.04913	2.9
152.11496	1.4
153.06944	1.4
155.10567	1.2
165.06940	6.0
173.11711	4.1
181.06401	2.5
183.02769	1.1
183.08099	3.1
193.06386	6.2
195.07840	1.8
196.05000	2.0
199.07555	2.0
201.05437	4.1
201.12383	2.5
210.06758	1.5
211.04175	1.3
211.07515	18.5
212.08060	1.6
223.40982	1.4
225.05624	1.9
225.09067	2.9
226.06181	3.9
227.07019	5.3
237.05270	1.7
238.06047	1.2
239.06995	35.5
240.07487	3.7
240.10124	1.4
241.08496	3.5
243.06479	2.3
253.08543	3.4
254.08287	1.3
255.06454	3.3
257.08047	5.4
259.05991	11.5
260.06204	1.7
267.06543	19.6
268.06870	1.7
268.09778	1.4
269.04370	2.1
269.10471	2.0
279.06491	1.8
280.10965	1.3
281.07953	2.4
282.07187	2.5
285.07535	5.4
297.54672	1.7
299.09100	62.2
300.09320	3.9
301.07004	4.1
303.08487	1.6
310.10608	3.9
311.09073	3.5
311.12473	1.4
315.04846	2.4
329.10257	8.6
342.09720	1.3
342.13330	31.4
342.16968	1.2
343.13785	1.9
343.18890	1.4
360.14343	100.0
361.14761	11.1
362.15921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29395	1.2
57.07030	1.1
60.04499	1.3
67.05465	3.5
69.03394	1.3
69.07033	1.2
70.06581	1.4
71.80760	2.0
77.98811	1.4
81.03381	2.3
81.07031	1.6
85.02880	4.0
85.06499	1.3
86.09683	4.9
91.05449	1.2
93.07016	1.6
95.08647	1.8
95.35638	1.0
97.02846	1.2
104.05715	1.1
105.03339	4.1
105.06979	1.4
107.04934	1.6
109.02843	2.7
109.10115	3.5
115.05426	1.4
127.03895	2.0
145.04913	2.9
152.11496	1.4
153.06944	1.4
155.10567	1.2
165.06940	6.0
173.11711	4.1
181.06401	2.5
183.02769	1.1
183.08099	3.1
193.06386	6.2
195.07840	1.8
196.05000	2.0
199.07555	2.0
201.05437	4.1
201.12383	2.5
210.06758	1.5
211.04175	1.3
211.07515	18.5
212.08060	1.6
223.40982	1.4
225.05624	1.9
225.09067	2.9
226.06181	3.9
227.07019	5.3
237.05270	1.7
238.06047	1.2
239.06995	35.5
240.07487	3.7
240.10124	1.4
241.08496	3.5
243.06479	2.3
253.08543	3.4
254.08287	1.3
255.06454	3.3
257.08047	5.4
259.05991	11.5
260.06204	1.7
267.06543	19.6
268.06870	1.7
268.09778	1.4
269.04370	2.1
269.10471	2.0
279.06491	1.8
280.10965	1.3
281.07953	2.4
282.07187	2.5
285.07535	5.4
297.54672	1.7
299.09100	62.2
300.09320	3.9
301.07004	4.1
303.08487	1.6
310.10608	3.9
311.09073	3.5
311.12473	1.4
315.04846	2.4
329.10257	8.6
342.09720	1.3
342.13330	31.4
342.16968	1.2
343.13785	1.9
343.18890	1.4
360.14343	100.0
361.14761	11.1
362.15921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01847	2.4
55.05503	1.4
56.72938	1.5
57.03419	6.1
60.04509	1.5
61.02923	9.8
65.03930	1.4
65.06284	1.2
69.03417	21.8
70.06557	1.7
71.04960	2.1
71.16146	2.2
71.16493	2.3
73.02896	5.7
74.39243	1.3
76.16373	1.2
79.05499	2.1
80.56094	1.1
80.80456	1.3
81.03398	9.4
85.02891	98.7
86.09672	8.4
87.04436	2.5
91.03934	4.3
91.05436	2.8
93.03374	3.8
95.04958	1.6
97.02880	27.3
99.04440	4.2
101.02312	1.4
105.07015	11.1
106.07345	1.8
107.04955	3.0
109.02852	6.2
111.04421	23.8
115.03938	1.6
116.07022	1.7
119.04882	1.4
120.80235	1.4
122.09671	10.5
123.92215	1.4
127.03884	30.2
135.04378	32.3
137.05998	1.7
138.05464	1.7
139.03874	60.1
140.04196	1.5
145.04930	41.9
147.04387	3.8
163.03885	29.1
163.05972	7.7
163.07268	1.7
177.05530	2.5
180.06580	2.4
180.08627	16.0
181.04922	100.0
182.05333	2.0
198.07579	7.6
199.18021	2.0
212.15747	1.5
247.05937	2.2
297.09833	1.4
299.09207	1.7
325.09317	1.3
342.13260	2.9
360.14496	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	360.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01890	0.4
57.03464	0.4
60.04507	0.9
61.02919	0.6
61.81649	0.3
65.03944	0.8
69.03424	1.2
70.06582	1.4
70.77081	0.8
71.04991	0.4
73.02905	0.4
77.37617	0.3
78.16950	0.4
79.05455	0.5
80.65910	0.4
81.03423	0.5
81.07078	0.3
83.72439	0.5
84.54020	0.3
85.02892	4.8
86.09698	1.0
95.04956	0.9
97.02891	1.6
105.03371	5.2
107.04961	0.6
107.08640	0.4
109.02860	0.8
111.04379	0.4
112.07594	0.8
121.02863	2.7
127.03908	1.1
133.02858	2.6
134.06055	0.4
135.04387	2.4
140.07095	0.4
145.04945	1.3
149.02316	100.0
150.02655	1.8
156.07567	0.4
162.07541	0.6
163.03877	70.5
164.04221	1.3
166.03116	0.5
167.03355	1.4
180.08664	1.6
181.04929	37.7
182.05174	0.8
190.04866	0.4
191.07016	0.4
211.07509	0.6
216.25871	0.3
239.03722	1.8
240.10197	0.7
243.06525	0.5
249.45593	0.4
342.22650	0.5
360.14047	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	13.9
56.78237	4.3
56.89194	3.9
57.07068	81.6
58.48771	4.1
61.21289	4.9
67.05500	23.1
69.07053	11.2
71.08621	53.6
71.51012	10.0
71.51350	5.4
81.07044	29.1
83.08584	22.9
85.10168	32.9
86.00260	4.8
95.08578	49.0
97.10152	20.3
101.66035	4.4
105.07006	53.9
107.56579	4.3
109.10145	27.6
111.11707	7.6
122.09644	15.2
123.11693	19.0
131.91278	4.8
137.13243	6.1
141.86224	5.7
267.26828	19.6
285.27924	9.2
335.91809	5.1
341.30423	100.0
355.29910	5.9
357.11359	6.3
359.13037	69.1
360.14636	29.6
360.32501	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89292	0.1
55.01837	0.2
58.09015	0.1
69.03403	0.4
71.78873	0.2
71.79281	0.2
81.07039	0.2
85.02879	1.0
91.05424	0.2
95.04909	0.2
97.02843	0.3
103.05484	0.2
104.05799	0.2
105.03349	0.7
109.10105	0.2
114.31764	0.2
121.02808	0.3
127.03876	0.7
131.04839	0.2
132.05226	0.2
135.11618	0.2
145.04919	0.5
167.07053	0.2
185.08261	0.3
186.09082	0.4
196.07422	0.2
199.06119	0.2
201.07843	0.2
212.07114	0.2
213.07753	0.3
214.08624	0.2
222.05440	0.5
224.07033	0.5
228.10248	0.2
229.07408	0.2
231.05267	0.7
238.08463	0.3
240.06358	0.8
241.07301	1.0
252.06529	1.9
253.04857	0.3
253.07216	1.9
254.04466	0.8
254.07954	0.4
255.08884	0.5
256.09598	0.5
257.06787	1.4
259.01599	0.2
266.08008	0.5
267.05664	0.2
268.05991	3.9
269.06781	39.9
270.07092	1.9
282.07394	0.2
284.09122	100.0
285.06461	0.3
285.09436	5.7
300.08624	1.2
310.07053	0.6
314.10175	0.5
328.03470	0.6
333.66220	0.2
342.09625	0.6
360.10721	15.6
361.10870	0.8
363.60870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.05499	6.1
57.07065	52.2
65.03945	1.0
67.05492	21.5
69.03434	1.2
69.07050	9.1
69.93004	7.5
70.06579	2.2
71.04988	1.1
71.08617	70.3
79.05468	3.6
79.69302	0.9
81.07043	47.8
81.07531	2.4
83.08590	2.8
85.02898	1.3
85.10168	37.0
91.05441	2.0
93.07035	3.0
95.04958	1.5
95.08588	55.9
98.20769	1.4
103.05445	7.0
105.03402	4.3
105.06997	1.1
107.08577	2.2
109.10150	1.7
115.05434	1.5
115.08675	3.5
117.06992	1.2
120.08116	1.5
121.02850	2.7
121.06468	3.9
121.10058	1.2
123.04375	0.9
123.11713	0.9
126.96348	1.0
129.06987	2.2
131.04907	71.5
132.05255	2.2
133.10124	1.1
136.13577	1.0
137.13226	6.2
143.04915	2.2
145.06464	1.3
149.05959	5.6
155.14288	29.0
157.06444	3.3
159.04385	91.1
160.04774	2.3
163.03879	46.8
164.04204	1.8
173.05884	2.3
175.03822	1.8
177.05435	100.0
178.05820	3.3
180.69051	1.1
187.03889	9.5
200.07043	2.1
201.05444	2.9
205.04929	31.1
210.14009	1.1
219.10210	1.1
313.03391	1.5
327.11911	1.3
341.27930	1.1
359.03848	1.0
359.11142	1.5
359.18314	9.9
359.22018	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1694
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
61.02901	1.5
69.03426	2.6
69.48074	5.3
69.48418	1.1
73.02863	0.7
79.05463	1.3
81.03404	0.6
81.07033	1.5
85.02891	9.3
91.05490	2.6
93.07012	3.5
95.08576	0.8
97.02862	1.7
102.06213	0.4
105.03370	1.7
105.07024	4.4
106.68565	0.4
107.04969	0.6
107.08574	26.5
108.08895	0.6
109.02840	0.9
109.06500	0.6
109.10123	1.0
111.34481	0.4
119.08566	4.3
121.06465	1.2
121.10134	4.6
123.11669	1.2
127.03902	1.5
127.91553	0.4
131.08553	0.6
133.10101	14.6
137.09557	0.7
139.07532	1.3
143.08537	0.6
145.04909	1.0
149.09598	3.6
149.10722	0.6
151.07494	1.1
151.11154	7.3
152.07835	0.5
161.09596	4.5
167.10649	11.5
168.10951	0.5
179.10645	13.8
180.10881	0.6
197.11702	100.0
198.11983	3.0
212.20076	0.5
239.03757	0.6
289.62866	0.5
345.66364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.2
54.58753	1.1
55.01872	1.4
55.05487	5.6
57.07065	59.0
59.63829	1.2
67.05494	16.9
69.07054	11.0
71.05108	2.5
71.08618	80.5
79.05489	3.4
81.07040	49.6
83.08616	2.3
85.06544	2.3
85.10165	39.4
85.10673	2.2
91.05441	1.7
93.07034	2.0
95.08591	56.5
96.08960	1.6
103.05444	5.4
107.04976	2.5
107.08604	1.2
115.05435	3.5
121.06505	2.1
129.06995	1.5
131.04904	79.3
132.05255	2.5
132.35602	1.1
135.04428	1.6
137.13194	6.2
143.04922	1.4
145.06468	2.0
147.04393	1.6
149.05956	5.9
155.14279	32.1
157.06465	3.6
157.16667	1.3
159.04391	94.2
160.04774	1.7
163.03873	45.6
173.06020	2.2
177.05441	100.0
178.05777	3.7
187.03848	11.4
198.18689	1.6
201.05629	1.4
205.04930	32.5
250.88930	1.4
295.99258	1.4
359.18484	10.7
359.22311	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1331
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.03931	2.2
54.61364	1.9
55.01858	4.8
61.02900	2.1
66.87093	1.9
67.05511	2.7
69.03418	6.7
69.07067	2.7
70.06584	5.6
71.81114	2.4
71.81507	2.6
72.08134	7.5
73.02911	25.4
79.05511	2.4
81.03411	2.7
81.07027	2.3
83.04941	2.7
85.02895	19.0
86.09705	16.3
91.03954	2.6
91.05453	5.5
93.07001	3.3
94.81913	1.9
95.04970	9.2
97.02870	6.2
97.06531	2.3
103.05423	2.3
105.03395	5.6
105.07027	4.7
107.08558	2.5
108.86174	2.1
109.02869	5.5
111.04422	2.8
111.09164	2.1
116.07082	2.4
119.04901	2.3
123.11782	2.2
125.05980	33.9
127.03925	6.5
131.04912	3.6
132.10199	3.5
133.10159	2.8
135.08086	2.5
137.02354	8.0
137.05962	9.7
141.05496	3.6
145.04912	5.4
147.04378	3.7
149.06013	3.3
151.03891	81.3
151.04933	4.1
151.07561	2.3
152.04350	2.6
163.03854	3.8
163.07510	4.8
167.07007	2.7
177.05479	3.0
179.07007	25.5
179.10751	4.9
180.07462	2.1
181.05064	2.6
181.08556	4.2
182.12827	3.3
183.11305	3.4
187.07608	2.4
197.08063	100.0
197.11685	6.3
203.03453	2.6
208.09691	6.1
218.47470	2.2
238.05284	2.4
239.03693	3.1
269.06479	5.4
284.08636	14.6
295.06067	2.7
298.10611	3.1
299.10852	11.8
313.03384	2.5
313.06879	2.7
327.10547	8.5
331.04404	5.2
341.02957	10.1
349.14203	2.5
359.04004	10.0
359.12906	3.0
359.16824	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	359.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69827	0.6
53.03936	1.3
57.03414	1.5
59.04975	1.3
61.02901	2.4
62.32116	0.8
66.82101	0.7
67.05497	1.5
69.03424	7.0
69.44815	8.9
69.45142	1.6
71.04984	0.9
72.07565	0.7
79.05470	1.3
80.24218	0.7
81.03400	2.4
81.07055	1.7
85.02891	24.3
86.09679	1.1
91.05479	4.4
93.07020	5.3
95.04950	3.3
97.02880	7.7
97.06494	1.0
98.80150	0.7
99.04413	1.2
105.03336	1.4
105.07004	5.4
106.05077	0.8
107.07887	1.6
107.08572	17.1
107.09302	0.8
108.08846	0.7
109.02876	1.8
109.06487	1.5
109.10121	1.3
119.08556	1.3
121.02936	0.8
121.06487	1.6
123.04428	1.3
123.11694	0.8
127.03904	6.3
133.10109	17.4
135.11671	18.1
141.63913	0.8
142.05940	0.8
145.04913	3.2
151.11118	1.6
159.01337	0.7
161.09593	9.1
179.10646	33.8
180.10925	0.7
181.86209	0.7
197.11700	100.0
198.11954	3.5
263.53198	0.7
334.89532	0.8
359.16708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3516
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
52.89851	0.2
55.05502	6.8
57.07066	1.4
58.06580	0.8
62.06048	0.3
67.05503	0.5
67.47376	0.2
69.07055	6.2
69.18752	0.2
69.53945	2.1
70.06578	10.4
71.08617	0.5
74.06063	0.3
76.22491	0.2
81.07059	0.3
83.08611	2.9
84.08115	0.2
85.10188	0.2
86.09664	0.2
88.07616	13.5
94.47722	0.2
95.08589	0.2
97.10157	1.2
98.85616	0.2
102.09162	3.7
106.08646	7.3
112.11205	0.2
124.06611	0.2
130.04781	0.2
133.45090	0.2
150.43129	0.2
151.74152	0.2
161.84872	0.2
170.75500	0.2
267.25150	0.7
294.31421	0.3
312.32578	0.9
338.34097	6.0
339.34360	0.3
356.35168	100.0
357.35486	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1325
Annotation	(+)-EI 1507-2
Peak:m/z	Relative Intensity
53.79136	1.9
55.01859	19.1
57.07059	2.0
58.19945	2.1
63.64662	2.2
65.03928	7.0
67.05489	6.2
69.03399	2.4
69.07043	2.9
70.06583	2.5
71.01295	2.5
79.05471	8.0
81.03411	3.9
81.07024	9.6
85.02836	2.7
89.03963	2.2
91.05456	12.2
93.07021	3.9
94.04163	6.7
95.08587	4.0
103.05457	9.6
105.03348	2.3
105.07011	9.5
107.04944	5.5
107.08575	6.7
109.06486	6.8
109.10141	4.2
111.04417	8.2
115.05432	8.8
117.03375	7.4
119.04963	2.4
119.08573	2.9
121.06475	5.5
121.10112	4.4
122.03625	14.5
123.04376	3.1
125.05961	3.1
131.04926	11.0
131.08562	3.0
133.06456	4.2
133.10056	6.5
137.04912	5.2
137.05952	100.0
137.09584	3.3
143.04906	6.2
144.05695	3.5
145.02812	7.2
145.06488	3.3
146.03583	8.8
147.04387	7.7
147.11577	3.0
149.05957	4.9
151.03891	5.7
151.07451	2.6
153.05434	6.9
155.04927	3.9
157.06448	2.5
160.03975	2.3
160.05180	3.6
161.05946	27.6
162.06720	6.1
163.07506	3.5
165.05472	43.5
165.06946	6.1
171.04344	3.1
172.05208	3.9
175.07541	7.3
177.05484	26.8
179.07045	2.6
179.08525	6.0
181.08557	3.1
185.05984	2.5
187.07553	10.1
189.06981	7.9
190.07761	14.4
191.08522	19.7
193.06352	2.4
194.07303	2.5
202.07808	3.5
203.06973	9.5
203.08626	3.8
205.06491	6.2
206.07294	3.3
207.08058	12.8
208.08864	5.1
215.06985	9.0
218.07214	26.8
219.08069	30.6
219.10036	3.3
220.05252	2.9
220.08688	6.6
221.05914	4.1
222.06758	2.8
225.30032	2.3
229.06364	10.5
233.05978	3.2
234.06735	10.5
235.07486	17.0
236.08298	12.5
237.05418	2.6
237.08887	4.9
237.11128	4.0
245.05965	6.1
246.06740	17.5
247.07481	35.1
248.08206	6.6
249.09026	12.3
251.06989	4.6
251.10611	5.3
253.08562	2.8
257.05951	10.0
258.06604	3.8
259.07556	5.8
261.09061	38.2
262.06415	4.4
263.06927	18.4
264.07703	15.7
265.08469	9.0
267.10001	3.5
274.06247	21.7
275.06961	19.3
276.07593	6.0
277.08566	20.5
278.09244	8.4
279.07053	4.1
279.10071	20.8
280.07184	3.2
281.07971	4.8
285.10110	3.6
287.16483	3.0
289.08521	50.6
290.09167	8.3
291.06506	4.3
292.07263	9.0
293.08182	4.3
293.11694	3.4
294.08792	7.2
295.09579	5.0
306.08881	12.4
307.09579	95.5
308.09973	5.3
309.07791	3.4
309.11044	15.5
321.11163	97.1
322.11716	5.4
327.12189	29.9
339.12262	60.8
340.12579	4.2
357.13202	11.8
357.20395	8.7
357.24344	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	356.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29550	0.4
55.05264	0.6
55.05502	9.0
57.06829	0.5
57.07063	6.1
58.06580	0.7
61.93638	0.5
65.87856	0.5
67.05489	3.2
69.07056	9.4
70.06579	11.5
70.92113	1.0
70.92522	0.9
71.08620	5.1
79.05479	2.4
81.07041	4.1
83.08608	4.0
83.75980	0.4
84.04453	0.6
85.10174	3.0
85.16277	0.4
88.07101	0.9
88.07615	14.3
91.05454	8.5
93.07018	4.0
95.04935	0.9
95.08582	4.8
97.10139	1.9
102.09152	3.7
105.07013	20.6
106.08649	7.1
107.08574	1.2
109.10094	1.0
117.06990	1.8
119.08545	0.9
121.10109	3.0
131.08521	2.9
133.10101	43.0
134.10413	1.4
135.11661	0.8
143.34856	0.5
145.10124	1.0
155.14241	1.2
157.10077	0.5
159.11700	1.2
173.71423	0.6
180.97922	0.5
285.25797	3.2
303.26773	50.0
304.27130	2.9
312.32504	0.6
338.34079	6.8
356.35165	100.0
357.20477	0.8
357.24930	0.7
357.35471	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	356.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01857	1.1
55.05500	1.1
56.05030	1.9
57.03421	0.5
57.06826	0.3
57.07072	4.7
57.52849	0.3
60.32108	0.3
61.02933	0.4
65.03915	0.6
65.70200	0.3
67.05500	6.7
68.05021	1.0
69.03411	1.0
69.07068	1.7
70.02924	0.7
70.06584	0.9
71.04982	1.0
71.08619	5.6
72.04505	0.4
79.05479	1.4
80.05008	2.1
81.03403	1.3
81.07044	4.2
82.06576	5.7
83.04961	0.5
83.08608	0.6
84.04491	3.5
84.08142	1.8
85.02893	0.6
85.06499	0.4
85.10161	3.7
91.05466	0.9
93.07025	1.3
94.06564	1.1
95.04955	5.9
95.08598	4.8
96.04462	0.7
96.08102	0.4
97.02859	2.1
97.06512	0.4
98.06046	1.8
99.04437	3.6
100.07609	0.7
105.03370	0.7
105.04545	0.3
105.06993	0.6
106.06549	2.4
107.04967	0.3
107.08562	0.5
108.08140	0.4
109.10178	0.5
110.06024	1.2
111.04411	0.8
112.03953	0.3
112.07606	0.4
113.06007	0.8
114.05518	0.3
115.03893	0.3
116.07071	0.3
118.06501	0.7
120.08096	2.1
121.06503	0.6
121.10069	0.4
122.06018	1.1
123.04392	2.4
123.82398	0.3
124.07568	1.2
126.05551	0.5
130.06459	0.5
131.04922	0.4
133.10100	0.3
134.05966	0.6
136.07526	0.8
138.05507	0.6
138.09134	1.4
140.07066	0.3
141.05424	1.3
142.08569	0.5
144.06544	1.5
148.07535	3.3
150.05453	0.7
155.14325	1.5
156.10220	0.4
163.03909	0.4
164.04219	0.4
166.08615	9.1
168.06523	0.6
180.17427	0.5
184.09671	2.4
186.07652	0.5
194.08104	0.5
198.18503	22.1
199.18828	0.7
202.10715	0.9
206.19020	0.4
216.45738	0.3
224.19998	1.7
236.20050	0.5
260.20047	1.1
267.08984	0.7
274.18298	0.4
274.21594	1.1
278.21136	1.4
285.10101	0.7
292.22702	0.8
296.22025	0.4
302.21072	1.4
310.23718	0.4
320.22186	4.8
338.23233	6.5
338.26999	0.4
339.23520	0.6
356.24265	100.0
357.20514	0.7
357.24539	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	356.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05505	3.1
56.05021	1.3
57.03423	0.7
57.07065	21.3
66.09829	0.4
67.05492	5.8
68.05019	1.4
69.07050	2.1
70.02940	0.8
70.14948	1.6
70.15363	1.2
71.08619	10.8
76.19719	0.4
79.05471	2.2
80.04990	1.0
81.07042	4.5
82.06564	10.8
83.08608	3.7
84.04491	23.1
85.02895	4.1
85.10171	5.2
93.07030	0.9
95.08588	9.8
96.04491	1.0
97.10151	1.6
103.16302	0.5
105.03387	0.7
106.06556	0.9
107.08603	0.9
109.10129	4.2
110.06026	8.0
114.05447	0.5
120.08080	1.3
123.11662	1.4
128.07066	8.2
130.05046	0.5
138.05476	1.0
148.07494	0.6
156.06528	20.3
158.04549	0.7
168.06592	0.5
174.07596	12.5
183.17450	2.0
221.72871	0.5
226.21608	11.3
246.22021	0.7
264.23254	5.0
292.22818	2.5
310.23624	2.7
338.23135	3.7
356.24261	100.0
357.24515	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	356.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69602	0.3
58.39998	0.3
71.11984	0.8
113.67760	0.3
114.09089	0.5
132.06618	0.3
161.05963	0.4
164.04182	0.5
187.03885	0.4
206.05995	0.8
220.07526	0.5
222.05421	0.4
224.06989	0.9
234.05463	3.6
235.06232	0.7
246.38535	0.3
248.06976	1.6
249.07759	5.5
250.05003	0.9
250.08495	0.9
251.05757	2.5
252.06502	5.8
260.06998	0.4
261.07712	0.7
262.04956	3.8
263.05658	0.8
264.06509	1.2
265.07263	1.6
266.08099	3.6
267.08466	0.5
276.06494	1.6
277.07309	9.9
278.04559	0.5
278.08035	1.0
279.05203	3.4
279.08237	0.5
280.06000	10.2
281.06509	0.6
290.04507	2.9
290.07407	0.6
291.04999	0.7
292.05969	5.4
293.06628	0.7
294.07550	25.7
295.07996	2.0
296.05713	0.3
304.05887	0.4
305.06766	4.7
306.04083	0.7
306.07449	5.5
307.07974	0.7
308.05469	51.8
309.05853	3.4
322.07059	4.6
323.07816	23.0
324.08160	1.2
338.10156	100.0
339.10486	7.3
356.11212	10.8
356.17816	0.5
357.11722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2063
Annotation	2'-Acetylheliotrine
Peak:m/z	Relative Intensity
52.12375	0.6
53.20584	0.6
55.05486	1.0
56.05028	0.8
57.06846	0.6
57.07066	5.6
62.47897	0.7
65.13810	0.6
67.05498	5.3
68.05005	1.4
69.07037	2.1
70.06570	0.9
70.20071	4.0
71.08624	5.6
79.05470	3.3
80.05003	1.4
80.05711	0.6
81.07052	4.2
82.06582	4.4
83.04944	0.8
84.04496	33.1
85.02901	4.3
85.10157	3.4
86.06032	0.6
87.04444	0.8
91.05476	1.4
93.07019	2.4
94.06522	1.6
95.04941	1.4
95.08595	5.9
102.05533	4.6
105.03385	1.6
105.05682	0.6
105.07011	1.0
106.06553	1.1
107.04898	0.8
107.08578	1.8
110.06026	6.6
112.07571	1.0
114.05491	2.1
119.08524	0.8
120.08093	2.4
121.10149	0.9
122.05999	3.2
128.07054	1.8
130.05008	3.8
131.08517	1.5
134.05949	0.9
138.05489	12.1
142.04970	0.9
145.10121	0.8
148.07564	4.0
150.05473	2.6
155.14406	0.8
156.06497	4.1
166.04993	1.2
168.06543	3.0
173.13216	1.9
176.07146	0.9
180.06529	1.1
184.06042	10.6
194.08110	2.1
196.06038	2.0
202.07072	10.8
206.15338	1.6
214.07053	1.2
225.07713	0.8
226.18037	1.7
240.08740	1.9
246.18520	4.4
264.19577	1.8
274.18005	4.1
292.19006	4.1
310.19980	2.2
320.18604	2.1
338.19595	8.0
347.14941	0.8
356.20630	100.0
357.20950	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	355.2837
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.45582	1.2
52.75177	1.3
53.03934	2.4
55.01859	3.2
55.05499	32.1
57.03421	9.0
57.07064	17.1
65.03912	2.1
67.05492	79.1
68.05843	2.2
68.80387	1.2
69.03422	1.6
69.07056	45.5
69.53915	13.0
70.06566	4.3
71.04970	4.1
71.06925	1.2
71.08626	12.3
79.05475	25.4
81.07042	100.0
82.07377	1.4
83.04964	4.1
83.08607	23.6
83.30158	1.2
85.06528	4.7
85.10163	5.0
88.07629	3.7
89.03877	1.2
91.05434	17.8
93.07027	30.3
95.04953	2.9
95.08588	82.5
96.08945	2.1
96.78134	1.1
97.06526	7.6
97.10157	18.3
98.09676	4.0
99.08084	3.2
103.03925	1.3
105.03371	3.6
105.07011	14.4
107.08562	21.1
108.34005	1.3
109.06468	2.4
109.09388	2.5
109.10136	43.7
110.10468	1.5
111.08067	4.5
111.11700	4.4
113.09634	2.3
119.08563	16.0
121.10126	28.0
123.08008	2.8
123.11683	21.5
125.13220	2.4
127.11198	1.6
129.05482	2.1
131.08556	2.1
133.10101	20.0
135.04405	2.2
135.11674	16.1
137.09633	2.3
137.13200	10.0
139.11136	2.6
141.12752	1.6
145.02829	1.9
147.11649	13.2
149.13242	12.2
150.13531	1.7
151.11203	2.5
151.14806	7.1
153.12741	3.0
155.14293	5.8
158.05980	2.7
161.13240	14.9
163.03851	12.8
163.14790	11.8
165.12727	1.5
165.16338	8.1
167.14348	2.4
175.14749	10.0
177.16376	3.2
179.17937	6.2
182.29506	1.3
185.09315	1.2
187.03871	2.4
189.05484	2.2
189.16339	4.6
193.15839	1.8
200.04671	4.3
201.05360	2.1
201.10172	4.6
201.11925	1.2
203.17888	2.4
217.19571	2.1
245.22600	48.3
246.22899	2.1
252.23242	2.7
263.23648	50.9
264.23932	3.8
275.05881	1.4
281.24695	1.8
327.19507	11.6
337.23477	2.6
337.27341	42.6
337.33115	1.9
338.16266	1.3
338.27725	2.8
355.07089	1.9
355.24115	2.3
355.28336	9.2
355.33929	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28713	2.0
51.95782	2.4
52.28466	2.2
53.03926	5.1
55.01850	3.2
55.05500	57.0
57.03426	24.9
57.07071	26.9
63.30884	2.6
65.03896	3.8
65.27094	2.3
67.05492	67.3
68.05815	3.3
69.03419	3.3
69.07058	74.6
70.06596	3.4
71.04974	4.9
71.08616	29.3
71.81084	4.1
71.81529	3.5
72.08165	3.9
72.52283	2.2
79.05488	26.7
81.03389	4.0
81.07040	93.9
83.04951	7.5
83.08605	41.1
85.06514	5.2
85.10161	10.6
88.07599	6.1
91.05392	15.1
93.03368	5.8
93.07035	29.9
95.04951	12.1
95.08585	73.0
97.02832	2.6
97.06521	7.4
97.10158	24.2
98.09674	12.6
99.08063	2.7
105.03374	79.9
105.07021	16.9
107.04916	4.1
107.08562	17.9
109.02821	4.2
109.06490	5.4
109.10146	31.9
111.04397	2.9
111.08057	5.4
111.11649	7.6
113.10915	2.6
117.03371	3.2
119.08559	10.7
121.02837	5.3
121.10089	14.6
123.04350	2.3
123.08009	4.4
123.11669	13.2
124.12870	2.5
131.08540	3.2
133.10101	11.2
135.04384	8.1
135.11656	16.0
137.09581	6.8
137.13242	4.9
139.03874	13.9
145.02823	7.9
145.10065	3.7
147.11656	4.7
149.02293	6.1
149.13217	3.3
153.12714	5.3
155.03331	4.4
155.14255	10.5
161.13254	4.8
163.03877	52.0
163.14763	4.3
164.04239	2.8
167.03320	3.9
175.14757	3.2
185.04414	10.2
185.09172	4.5
189.16418	3.1
201.10197	3.5
201.12349	6.6
251.95799	2.5
252.23186	7.7
263.23608	8.5
265.17853	6.1
275.23557	2.3
281.24661	2.4
293.17230	12.2
319.15512	3.6
331.75211	2.7
337.16455	9.1
337.27292	11.0
355.18033	6.4
355.28323	100.0
355.33868	40.3
356.12698	7.8
356.22314	3.6
356.28751	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	355.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96961	0.9
55.01884	1.1
55.05496	6.3
56.05018	2.1
57.03430	0.9
57.06790	1.9
57.07069	36.8
67.05496	11.5
68.05013	4.6
69.07052	3.5
70.06591	0.9
71.08618	15.9
71.78629	1.1
79.05470	2.7
81.07042	12.2
82.06570	31.0
83.06873	0.9
83.08607	5.8
84.04491	80.2
84.08144	5.1
85.02897	4.9
85.06522	0.9
85.10165	8.6
89.03899	0.8
91.05445	1.2
93.07028	2.1
95.04963	1.2
95.08586	19.6
97.10172	2.1
101.07127	1.7
102.05540	1.7
105.03387	8.4
107.08592	1.3
109.07619	1.5
109.10137	10.0
110.06023	30.3
111.05540	1.8
114.05523	1.9
117.03330	1.0
121.10124	1.5
123.11693	2.6
127.08656	15.1
128.07059	15.5
130.04985	19.3
135.04369	1.4
138.05440	1.1
139.03871	0.8
145.02754	1.0
147.11696	0.9
155.08128	10.9
156.06534	100.0
157.05952	9.7
161.05806	1.1
163.03877	12.3
173.09200	59.8
174.09520	2.2
183.17416	5.1
185.09195	1.0
187.03918	3.3
189.05457	1.5
200.04660	2.2
201.05414	1.6
201.12335	2.5
209.15660	1.0
226.21678	5.8
238.21666	3.2
250.08888	1.0
266.21057	1.6
288.95050	1.0
292.22717	1.8
309.25311	1.1
327.19510	11.4
338.23203	15.9
339.23526	1.0
355.19559	5.0
355.25873	65.9
356.20517	1.2
356.26208	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	355.2835
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
52.84987	1.7
53.03929	2.8
55.01839	2.3
55.05504	29.2
57.03410	8.7
57.07060	22.0
65.03925	2.5
67.05493	77.1
69.07056	41.5
70.06564	3.2
70.48598	7.5
71.04963	3.2
71.08604	11.0
75.04477	2.3
79.05477	25.6
81.07040	100.0
83.04951	2.7
83.08607	30.3
83.21294	1.7
85.06528	4.3
85.10162	6.0
88.07603	8.2
91.05424	19.1
93.07029	31.5
95.04908	2.8
95.08592	82.6
96.08940	2.2
97.06510	10.0
97.10151	16.3
99.08067	4.7
105.07021	17.7
106.08630	2.7
107.04901	2.3
107.08572	22.1
109.06494	4.7
109.09393	2.8
109.10134	43.8
111.08050	4.1
111.11684	6.1
113.09628	4.0
119.08542	18.5
121.06506	2.4
121.10126	28.2
123.08006	2.8
123.11687	23.3
125.09538	2.9
125.13261	2.9
130.06493	5.2
133.10121	20.5
135.04344	3.9
135.11676	15.5
137.09564	4.6
137.13225	11.2
141.12738	2.3
145.02824	3.6
147.11690	13.3
149.13210	12.2
151.14819	4.9
155.14279	5.5
156.08081	2.4
158.05991	4.4
161.13182	12.8
163.03859	20.3
163.14790	14.0
165.12746	2.5
165.16364	7.4
167.14256	2.0
175.14833	10.0
177.16393	2.2
179.17882	7.5
182.08357	28.1
183.09157	12.5
185.68243	2.2
189.16338	4.6
201.10324	3.1
203.17856	2.2
217.19370	1.9
225.18620	2.3
245.22603	54.4
246.22878	2.8
257.94775	2.3
263.23651	53.3
303.26776	1.9
319.68875	2.4
337.22705	26.4
337.27298	37.9
338.27322	2.2
338.34479	2.6
355.06784	2.7
355.23819	11.2
355.28421	9.5
355.33734	4.5
356.35138	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.7
55.01858	0.7
55.05494	1.2
56.05009	1.5
56.96545	0.7
57.07064	4.9
67.05494	5.0
68.05025	4.1
69.07037	1.4
69.69697	1.8
69.70116	2.7
70.06566	1.0
71.08621	5.7
72.04504	5.5
79.05484	2.7
81.07042	4.3
82.06567	10.3
82.72077	0.5
84.04488	60.7
85.02898	3.8
85.04819	0.8
85.10161	2.9
86.06042	2.4
87.04443	0.6
91.05409	1.0
92.04999	0.6
93.07014	1.4
94.06564	1.1
95.04961	1.2
95.08581	4.2
101.07117	5.4
102.05546	1.1
105.03396	0.9
105.06995	0.8
107.04876	0.7
110.05320	0.9
110.06026	12.9
111.05506	1.5
114.05506	2.6
114.16029	0.5
119.08569	1.0
120.04426	1.3
120.08126	0.7
122.05997	1.0
127.08656	0.6
128.07051	9.6
130.04979	16.0
135.65433	0.6
137.05989	0.7
137.07054	2.2
138.05472	14.0
139.04945	0.9
148.03918	0.6
155.08141	1.9
155.14243	0.9
156.06531	18.4
157.06027	7.4
160.22075	0.5
163.03874	4.6
166.04924	1.1
171.11699	0.6
173.13173	0.9
183.07623	2.1
184.06018	41.7
185.06325	0.8
191.14262	0.6
201.08664	100.0
202.08989	2.5
208.16982	1.0
211.13257	0.5
226.17978	2.8
246.18654	1.2
256.86118	0.6
264.19617	0.7
267.09082	1.3
274.17984	2.8
281.10727	1.1
285.10089	2.7
291.20822	0.6
294.20682	0.8
299.11646	1.0
310.19992	0.8
319.20319	0.6
320.18445	1.0
337.21118	1.3
338.19571	4.5
339.19775	0.7
355.22202	24.7
355.26376	1.1
356.22470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47571	2.0
53.03933	4.4
55.01860	18.4
55.05503	13.3
57.03437	2.0
57.06788	3.5
57.07064	65.8
59.04990	4.1
65.03917	6.6
66.52287	2.1
66.95033	2.1
67.05495	38.8
68.05830	2.2
68.79424	1.7
69.07058	19.7
70.10138	10.2
70.10549	3.7
71.04974	2.7
71.08617	100.0
79.05481	15.8
81.03417	10.7
81.06593	3.9
81.07044	56.9
81.44635	1.9
82.07363	2.0
83.00823	1.8
83.01306	5.1
83.04967	19.6
83.08593	8.0
84.08101	2.8
85.02895	2.6
85.06532	3.3
85.10162	52.1
91.05806	5.3
91.13956	1.8
93.03383	13.7
93.07030	12.0
95.04947	10.0
95.08585	74.0
96.08907	2.7
97.02853	7.1
97.06504	4.0
97.10155	2.6
103.07561	9.1
104.07874	2.4
105.03364	6.5
105.06969	6.5
107.04930	6.1
107.08560	4.3
109.02826	9.6
111.00756	17.2
111.04427	9.6
112.49951	1.9
117.06995	2.4
119.08575	5.0
121.02881	4.7
121.06435	1.9
121.10130	3.5
123.04456	4.2
125.02358	3.2
131.08540	2.7
135.04391	6.4
135.08012	2.1
135.11705	10.1
137.02322	18.5
137.13231	12.5
139.03870	41.9
145.10138	2.5
147.11665	2.5
149.02330	8.5
149.05971	4.9
153.12686	7.6
155.03354	19.5
155.14276	79.4
159.11623	2.7
163.03870	27.0
165.01794	3.0
167.03333	4.2
173.04370	2.2
183.02849	17.4
185.04454	16.4
187.07541	2.7
192.47952	1.9
201.10187	2.5
203.05632	1.8
265.14145	3.3
265.17914	8.7
268.97461	2.6
273.14868	2.5
283.15344	3.1
286.00714	1.9
293.17365	24.7
319.15323	5.3
337.16367	24.4
355.07095	2.1
355.17630	17.1
355.23093	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.6
53.03930	4.4
55.01867	8.5
55.05505	22.6
57.03419	5.2
57.07067	19.8
58.65377	1.6
65.03930	12.0
67.05497	29.9
68.99756	3.4
69.03420	3.6
69.07061	65.4
70.07388	1.8
70.99801	4.8
71.04964	4.4
71.08624	20.3
79.05483	21.5
81.03416	8.2
81.07043	25.1
83.01330	10.1
83.04955	7.3
83.08215	1.8
83.08614	18.4
85.06532	2.3
85.10171	8.3
87.08138	1.6
90.68073	1.6
91.05442	11.7
93.03395	43.4
93.07031	24.5
95.01315	4.6
95.04963	15.7
95.08595	21.0
97.02882	9.0
97.06526	21.7
99.00789	4.3
103.05443	2.2
105.03377	2.9
105.07031	7.5
107.04927	6.9
107.08576	21.7
109.02872	9.3
109.06517	1.9
109.10152	6.4
111.00774	6.6
111.04418	6.5
111.08075	2.5
111.11678	2.2
113.02346	4.3
115.05463	1.8
117.06986	4.7
119.04894	3.8
119.08578	4.3
121.02849	19.7
121.06477	5.1
121.10107	3.0
122.19486	1.6
123.04407	7.5
123.11694	2.4
125.02337	9.3
129.06978	3.1
130.06497	4.6
131.04947	3.5
131.08549	6.6
133.06442	3.0
135.04396	6.4
135.08026	2.4
135.11676	34.7
137.02327	19.3
139.00259	2.9
139.03891	38.6
140.04268	2.0
143.08485	2.8
145.06477	2.6
145.10062	2.1
147.04404	3.6
147.08078	3.3
149.02318	36.9
149.05943	6.8
151.03868	6.3
151.07544	1.6
153.12740	21.1
155.03384	21.8
155.08543	2.2
155.14268	4.2
158.05998	7.6
159.11635	2.0
161.05998	2.7
163.03874	13.8
164.04427	2.0
165.01842	4.5
165.05414	1.9
167.03372	14.9
171.11653	1.8
173.09596	2.6
173.13219	2.5
175.03902	3.6
175.07565	2.3
177.05472	3.9
181.04944	1.8
183.02863	3.6
184.07567	3.3
185.04436	91.2
186.04733	3.3
193.01332	8.6
197.04414	2.9
201.10258	7.9
201.12830	2.5
211.02299	4.3
211.06041	3.9
217.15785	1.8
219.13647	1.7
223.09698	2.5
227.14214	3.2
229.03423	19.5
231.13774	2.2
239.05464	6.6
245.15384	3.2
247.17039	1.8
251.09145	2.7
253.17056	1.6
255.13635	3.6
265.14331	7.2
265.17905	4.6
273.14902	7.3
275.16431	6.7
283.15613	2.7
287.94751	2.0
291.15912	4.9
293.17502	15.2
301.14444	2.3
309.16901	3.7
319.15366	12.7
337.16415	43.0
338.16684	3.2
355.17465	100.0
355.23978	3.8
356.17453	8.4
361.89868	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
55.01859	8.4
55.05502	17.7
57.03422	5.5
57.07065	50.9
64.91835	1.1
65.03915	6.9
67.05129	1.9
67.05490	37.4
68.99782	2.4
69.03429	6.5
69.07055	46.1
69.96093	7.9
71.01359	1.0
71.04966	3.2
71.08616	56.6
74.68850	1.0
79.05018	1.2
79.05481	28.2
81.03413	7.5
81.07039	48.0
83.01335	2.9
83.04954	10.0
83.08603	10.9
84.04481	1.3
85.02882	1.1
85.06534	2.3
85.10162	30.2
85.49551	1.2
91.05455	15.5
93.03384	30.7
93.07025	24.8
93.52205	1.0
95.01326	1.2
95.04949	21.3
95.07988	2.7
95.08591	45.6
96.34656	1.1
97.02854	5.8
97.06522	13.2
97.10152	1.9
98.20722	1.7
99.00793	2.0
99.08054	1.3
102.10123	1.1
103.05463	3.5
105.03321	1.6
105.07008	11.1
107.04938	12.8
107.08572	14.8
109.02858	6.9
109.06504	3.0
109.10146	5.2
111.00787	1.7
111.04431	13.1
111.08073	2.7
113.02370	2.1
115.05443	2.4
117.07009	5.1
119.04926	2.4
119.08585	6.9
121.02853	16.3
121.06480	9.0
121.10131	3.1
121.47353	1.1
123.04394	18.1
123.08035	1.6
125.02354	5.3
125.06034	1.6
127.03897	2.6
128.06253	2.4
129.07024	3.1
130.06490	1.9
131.04922	2.1
131.08580	7.6
133.06471	4.1
133.10139	3.6
135.04370	6.7
135.08058	4.7
135.11670	31.2
137.02324	4.7
137.05925	1.6
137.13191	6.6
139.03874	58.9
141.01782	2.0
141.06926	1.4
143.08508	2.9
145.06476	4.0
145.10112	3.5
147.04375	1.6
147.08018	3.4
147.11626	1.5
149.02315	28.4
149.05962	9.6
149.09641	1.9
149.13225	2.7
151.03888	5.2
153.05482	1.8
153.12708	23.8
154.13007	1.1
155.03377	8.5
155.14279	15.8
157.10167	2.1
158.06010	3.7
159.08037	1.4
159.11690	3.9
161.05972	3.2
163.03880	10.2
163.07599	3.1
165.05507	3.4
167.03352	14.0
171.08075	2.3
171.11609	1.5
173.04555	1.3
173.05949	3.0
173.09547	2.2
173.13219	3.3
175.03862	2.0
175.07576	3.1
177.05397	2.9
177.09029	1.1
177.12741	2.7
181.04938	1.8
185.04427	62.5
187.07549	1.9
191.07043	3.1
191.14305	3.3
193.01344	1.6
193.05049	1.3
197.04417	1.6
201.10252	4.3
201.12799	5.0
201.16347	2.1
203.07121	1.4
205.08611	1.2
211.06032	2.1
213.12718	1.7
217.08549	1.4
219.13797	1.9
219.17516	1.9
221.08003	1.5
223.05997	1.4
223.16887	2.4
227.10616	1.2
227.14342	2.3
229.15897	3.7
231.13857	1.8
236.22960	1.1
237.07550	4.2
237.18404	1.5
239.05505	2.9
239.13988	1.4
245.11655	2.3
245.15485	1.7
247.16931	8.6
251.09174	3.4
251.16379	2.0
255.13834	2.3
263.16476	1.5
265.14380	15.0
265.17978	33.5
266.18396	2.4
271.74872	1.1
273.14792	5.9
275.16357	6.1
283.15671	5.4
290.82028	1.3
291.15900	4.4
293.17413	100.0
294.17761	3.9
301.14359	4.0
309.16885	4.7
319.15344	20.7
337.16403	70.2
338.16589	3.4
355.17432	23.7
355.23489	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52770	0.8
51.02371	1.1
52.69582	0.9
53.03936	6.6
55.01865	4.3
55.05500	7.8
57.03412	1.6
57.07067	23.2
65.03917	2.8
67.05495	19.7
69.03410	2.4
69.07055	17.9
70.06576	18.0
70.09189	0.9
71.04974	1.6
71.08620	32.6
71.31075	2.4
72.08130	1.5
72.08949	1.2
79.05479	12.8
81.03409	5.5
81.07041	26.4
82.65433	0.9
83.01330	2.2
83.04971	7.3
83.08609	4.1
84.04461	1.3
85.02897	1.6
85.10168	15.6
89.03928	1.2
91.05379	4.7
92.54650	0.9
93.03391	10.9
93.07037	11.3
95.04370	1.8
95.04946	19.3
95.08589	21.5
96.08118	1.7
97.02872	4.3
97.06507	5.9
97.10171	1.1
98.09691	4.6
99.00851	0.9
103.05480	1.4
105.03372	100.0
105.04512	2.6
105.07021	4.9
107.04936	6.1
107.08556	7.5
109.02861	3.6
109.06491	1.3
109.10133	3.9
111.00789	3.0
111.04403	5.8
111.08050	2.1
112.07584	8.5
114.09154	3.4
117.03322	0.9
117.06991	2.9
119.04951	1.1
119.08533	1.5
121.02868	5.6
121.06483	2.6
121.10133	2.6
123.04430	5.4
123.08003	1.6
125.02301	1.9
125.05972	1.5
127.03956	1.1
129.07056	1.0
131.04887	1.5
131.08545	3.2
133.06476	1.3
133.10126	2.0
135.04402	5.1
135.08076	1.5
135.11685	11.2
136.12173	1.0
137.02333	4.6
137.06064	1.0
137.13283	2.6
139.03873	25.8
141.01697	0.9
142.08611	2.8
143.08514	0.9
145.02823	1.4
145.06474	1.0
145.10094	2.2
147.08029	2.3
147.11667	1.9
149.02298	11.1
149.05962	3.7
149.13139	1.0
151.03868	1.9
153.05389	1.0
153.12721	7.0
155.03357	5.0
155.11864	1.2
155.14279	11.4
159.11600	1.3
162.88806	0.9
163.03868	14.8
163.07500	1.0
165.01833	1.3
167.03369	3.7
173.05980	0.9
173.09694	1.1
173.13228	1.9
173.55032	1.0
175.03860	1.9
181.04970	1.2
183.02878	1.7
185.04430	19.1
185.05925	0.9
187.14951	1.0
193.01234	1.3
201.12318	17.7
201.14067	1.4
209.11623	1.1
223.09586	1.2
223.16902	1.1
229.03365	1.1
229.15854	1.0
237.07556	1.1
245.15387	1.6
247.17032	3.1
251.09116	1.3
265.14346	4.0
265.17969	11.5
273.14807	2.4
275.16367	2.5
283.15387	4.0
291.15881	2.4
293.17413	31.9
293.20749	1.9
294.17703	1.7
301.14325	1.1
319.15363	7.5
337.16379	23.9
338.16830	2.6
355.11325	1.7
355.17801	11.6
355.25983	12.1
356.12759	10.1
356.20526	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	355.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.2
55.01862	3.8
55.05495	1.2
56.02180	0.5
56.96547	0.6
57.03418	1.0
57.07042	1.6
63.02367	0.5
65.03922	0.9
66.04680	0.5
67.05476	2.0
69.03392	0.7
69.07055	2.8
69.07357	0.5
70.06567	0.5
70.50478	0.5
71.08604	0.5
71.81152	0.9
74.43551	0.5
77.03922	0.6
79.05477	9.3
81.03379	1.5
81.07038	2.6
83.04953	1.4
83.08585	1.0
85.02867	1.6
89.03891	3.0
91.05409	6.8
93.03391	0.9
93.07020	2.1
95.04978	3.9
95.08587	1.8
97.02865	0.9
97.06503	1.7
102.04662	0.8
103.05450	10.6
105.03361	1.9
105.07013	40.3
106.07339	1.3
107.04933	3.8
107.08573	1.6
109.02862	0.7
109.10112	1.1
111.04432	0.8
115.05437	11.6
116.06216	1.1
117.03365	2.5
117.06974	2.5
117.60837	0.5
118.04135	4.5
119.04928	6.6
119.08599	1.2
121.02813	0.9
121.06494	2.7
121.10126	1.0
123.04408	1.3
123.08022	1.1
125.05950	0.6
129.07011	0.6
130.04112	1.0
131.04904	6.5
131.08487	0.8
132.05708	1.1
133.02835	6.2
133.06468	24.8
133.10115	0.7
134.07146	1.1
135.04410	7.0
135.08067	1.1
135.11638	0.8
137.02301	0.6
137.05946	4.5
139.03947	0.8
143.04889	1.7
143.05968	0.8
144.05634	0.7
145.02826	3.7
145.06450	4.5
146.03572	1.3
147.04390	9.8
147.07996	1.1
147.11583	0.7
149.05959	1.4
149.09570	0.5
150.06752	0.5
151.03850	0.8
151.07516	5.8
153.05373	0.7
153.12743	0.7
155.04887	1.5
155.05986	0.7
155.14281	0.8
157.25369	0.6
159.04372	1.8
159.07967	0.6
161.02339	0.9
161.05965	9.9
162.06625	1.7
163.03883	26.0
163.07498	3.6
164.04297	1.5
165.05432	3.9
165.06863	0.9
165.09090	2.1
167.07021	13.4
167.08476	0.9
173.02267	0.7
173.05922	5.4
173.09566	0.8
175.07588	0.6
177.05481	2.8
177.09091	1.3
178.06233	5.6
179.07014	9.6
179.08463	0.6
180.07370	0.6
181.04918	8.4
181.06401	0.9
181.08583	1.5
183.04359	1.3
184.03462	0.5
187.03885	10.6
188.04666	3.8
189.05438	2.4
189.06972	0.7
189.09126	0.6
192.07733	0.8
193.08575	32.3
194.09358	100.0
195.09692	5.1
197.05867	0.8
201.05440	20.4
202.05948	0.9
203.06985	0.6
203.08635	0.5
205.06467	1.1
206.07262	1.6
207.08000	0.6
210.08817	1.4
211.13191	0.7
219.07967	1.1
220.05118	0.8
221.05891	1.5
223.07512	1.1
225.05177	1.0
225.09009	0.5
231.08073	0.7
233.05913	1.7
234.06712	3.3
235.07437	2.0
236.04599	0.6
237.05409	0.6
247.07524	1.6
248.04778	0.7
248.08412	1.2
249.05475	1.6
249.09061	2.1
251.06956	1.2
252.07677	0.8
259.07562	0.6
261.05435	0.8
262.06232	2.5
263.06958	3.5
264.07422	0.6
265.04974	0.9
265.14328	0.5
267.09299	0.6
268.06863	0.9
273.05502	0.8
275.06885	0.7
276.07748	7.6
277.08554	5.4
279.06461	1.9
280.07239	3.2
281.07840	1.1
282.08942	0.5
283.15262	1.0
285.10178	1.5
286.08063	0.5
291.06439	0.5
293.08041	1.1
294.08768	2.8
295.06256	1.0
295.09650	3.6
296.06354	3.2
296.09863	0.6
297.07477	0.7
298.08517	0.9
303.06680	0.5
304.07355	0.8
305.08060	5.4
307.05930	1.2
307.15372	1.4
308.06793	0.6
313.10480	1.4
319.15063	1.1
321.07550	1.0
322.08353	2.9
323.09152	1.4
337.10626	14.0
337.16388	2.1
338.11002	1.6
355.07269	0.9
355.11694	16.3
355.16937	3.2
355.21924	1.0
356.12021	1.3
371.58386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.117
Annotation	Ambonone
Peak:m/z	Relative Intensity
53.03931	0.8
55.01861	3.5
55.05489	2.0
57.03405	0.7
57.07054	0.8
57.48293	0.5
65.03928	1.2
66.70364	0.4
67.05492	2.6
67.61958	0.4
69.03415	0.7
69.07056	3.4
70.36443	2.0
71.04965	0.7
71.08611	0.4
77.03912	0.8
78.04662	0.6
79.05479	9.3
81.03399	0.9
81.07040	6.1
83.08589	1.4
85.02874	0.7
85.06528	1.2
89.03894	2.7
90.04704	0.7
91.05418	5.8
93.03392	0.5
93.07034	3.9
95.04959	3.4
95.08595	5.5
97.06485	1.5
97.10122	0.6
99.04417	0.7
99.08134	0.5
102.04648	1.0
103.04808	0.9
103.05450	10.3
104.06252	0.8
105.03372	2.1
105.07016	38.7
106.07333	0.8
107.04961	2.5
107.08569	3.6
109.06485	1.4
109.10127	3.2
115.05436	11.6
116.06185	2.2
117.03374	2.7
117.07009	5.8
118.04136	5.0
119.04929	5.9
119.08555	1.3
121.06489	2.7
121.10107	2.2
122.03644	0.5
123.04397	1.2
123.08047	1.6
123.11683	2.0
124.05264	0.5
125.04131	0.5
127.05384	0.8
128.06190	0.9
130.04077	0.6
131.04918	7.4
132.05669	2.0
133.02844	4.8
133.06471	26.9
133.10107	1.0
134.07237	1.1
135.04399	6.3
135.08038	0.6
135.11636	1.8
137.05963	4.9
137.09569	0.7
137.13222	1.7
139.07477	0.5
143.04871	1.5
143.05960	1.2
143.08540	0.7
145.02817	3.1
145.06462	19.8
146.03545	1.5
146.06795	0.9
147.04382	7.8
147.08015	1.6
147.11678	1.7
149.05943	1.6
149.13216	1.5
150.06746	1.7
151.07501	5.4
151.11232	1.0
153.05409	0.7
155.04868	5.0
155.06020	1.8
159.04330	1.2
159.11690	0.9
161.02359	1.1
161.05957	9.9
162.06691	1.6
162.49660	0.5
163.03877	24.3
163.07523	4.3
163.11081	0.6
164.04173	0.6
165.05479	4.9
165.09149	2.9
165.12741	0.9
167.07004	15.7
168.07434	0.7
173.05957	19.1
174.06303	1.0
175.03874	0.7
175.07463	0.9
175.11150	0.5
175.14883	0.6
176.04701	0.6
177.05431	2.7
177.09125	1.2
178.06232	8.1
178.07703	0.7
179.07008	12.3
179.08461	0.8
180.07744	0.6
181.04933	14.5
181.08530	1.2
183.04446	3.9
184.03627	1.0
184.05162	1.5
187.03867	14.3
188.04655	5.4
189.05437	4.2
189.06934	0.7
192.07817	2.7
193.08575	36.5
193.12234	1.4
194.09354	100.0
195.09744	6.0
200.04591	0.7
201.05440	38.8
202.05769	2.7
202.07616	0.8
205.06447	0.7
206.07239	1.5
207.06459	1.8
207.08138	1.0
209.06009	0.6
209.07939	0.9
210.08838	1.9
220.05182	1.0
221.05965	1.3
221.09619	0.6
224.08286	0.5
229.14346	0.8
233.06000	0.8
234.06723	3.2
235.07423	2.4
237.05389	1.1
247.07689	0.9
249.05368	0.8
249.09064	1.6
250.06259	1.0
251.07022	1.2
262.06241	1.2
263.07062	2.7
263.10626	0.6
265.08484	0.6
267.10037	0.6
269.07916	0.8
276.07803	1.4
277.08582	4.0
279.06485	1.6
280.07248	8.5
281.07959	2.4
285.00888	0.6
291.06339	0.6
294.08792	1.9
295.09628	3.6
295.12823	0.7
297.07474	1.3
301.25116	0.8
304.07230	0.8
305.08206	2.6
307.05792	0.7
311.09149	1.0
312.09924	0.9
313.10626	1.6
319.26187	4.0
322.08328	1.1
323.09048	1.8
327.12149	1.1
337.10724	5.7
337.27237	3.0
340.09460	0.7
355.11700	37.6
355.15152	1.6
355.22726	1.3
355.28442	1.2
356.12140	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03931	1.2
55.01863	3.2
55.05490	1.1
57.03425	0.5
57.07057	0.5
65.03931	0.6
67.05495	2.4
69.03410	1.2
69.07045	1.4
71.81381	0.4
73.04741	0.7
78.04693	0.5
79.05479	8.4
81.03400	0.5
81.07047	2.9
83.04972	0.5
83.08605	0.9
85.02902	0.8
89.03888	2.3
91.05417	6.0
93.07031	2.2
95.04941	2.6
95.08604	2.4
97.02876	0.6
97.06507	1.1
102.04663	0.9
103.05447	9.6
105.03347	1.3
105.07012	36.1
106.07357	1.4
107.04941	3.1
107.08556	1.5
109.06477	0.9
109.10160	2.0
111.04370	0.7
111.05622	0.4
115.05432	11.0
115.06195	0.8
116.06267	2.1
117.03378	3.2
117.06995	3.4
118.04142	4.9
119.04931	5.7
119.08586	0.7
120.02048	0.9
121.06493	2.4
121.10126	1.0
123.04412	1.7
123.08038	1.2
123.11681	0.6
123.25997	0.4
125.09483	0.5
127.03914	0.4
127.05429	0.5
129.06952	0.6
131.04910	7.7
131.08618	0.7
132.05707	1.0
133.02846	4.7
133.06468	25.1
133.10124	0.6
134.07217	1.7
135.04396	5.4
135.08008	0.8
135.11671	1.2
137.02327	0.7
137.05952	5.2
137.09589	1.7
137.13263	0.6
143.04903	1.8
143.05980	0.9
144.05698	0.8
145.02838	3.7
145.06459	10.9
146.03613	1.7
146.06786	0.5
147.04385	8.4
147.08026	1.1
147.11696	0.5
149.02338	0.5
149.05948	1.9
149.09589	0.5
150.06731	1.8
151.07521	6.3
153.05487	0.9
155.04875	2.9
155.06059	1.2
159.04402	1.5
160.05202	0.7
161.02383	0.8
161.05951	9.2
162.06659	1.7
163.03880	25.4
163.07484	3.5
164.04253	1.3
165.05446	3.9
165.06941	1.1
165.09085	2.8
166.02597	0.7
167.07018	16.1
168.07356	0.7
173.05954	11.9
173.09601	0.6
174.06181	0.4
175.07565	0.7
175.14783	0.9
177.05443	2.7
177.09067	0.7
178.06247	7.1
178.07721	0.9
179.07021	11.5
179.08513	0.6
180.07658	0.6
181.04951	9.6
181.06490	0.4
181.08492	1.1
183.04407	2.1
184.05188	0.5
187.03873	13.9
188.04610	5.1
189.05437	3.1
189.06958	0.9
191.07072	0.6
192.07816	2.2
193.04927	0.5
193.06932	0.7
193.08574	34.1
193.15813	2.2
194.09352	100.0
195.09669	5.7
200.04688	0.6
201.05432	28.0
202.05824	1.4
202.07622	0.5
205.06444	0.7
206.07208	1.4
207.06494	1.6
207.08203	0.8
209.08051	0.5
210.06792	0.5
210.08875	1.1
212.58752	0.5
221.05887	1.1
223.07617	0.5
231.08066	0.5
233.06006	0.8
234.06744	3.6
235.07516	1.6
237.05466	1.2
237.09148	0.5
247.07472	1.1
248.08252	0.9
249.05495	0.5
249.09068	1.6
250.06328	0.6
251.06940	1.2
252.07800	0.7
261.05591	0.6
262.06226	1.7
263.06976	1.3
263.10577	0.6
264.07669	0.5
265.05081	0.6
265.08572	0.9
267.06415	0.6
267.10025	0.5
269.08035	0.7
276.07809	1.8
277.08481	3.3
279.06479	1.6
279.09973	0.5
280.07281	9.8
280.10397	0.9
281.07886	2.7
283.06055	0.6
291.09955	0.7
294.08926	1.2
295.09564	4.7
296.09982	0.4
297.07523	0.8
305.08078	2.3
305.11328	0.6
307.09406	0.5
309.11118	1.1
310.08078	0.4
311.09058	1.1
312.09796	0.7
313.03708	0.7
313.10599	2.1
319.26212	0.8
322.08261	1.2
323.09012	0.9
323.12708	1.1
327.12195	0.6
337.10660	4.0
337.14133	0.7
337.19830	0.4
338.10324	0.9
340.13034	1.0
355.07922	1.2
355.11673	23.3
355.15411	3.2
355.22046	0.7
356.11990	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	355.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
63.02357	0.5
70.14161	2.4
79.05471	0.9
89.03899	5.9
94.63207	0.4
97.65737	0.4
107.04946	1.3
117.03362	7.8
125.88329	0.5
135.04381	15.2
135.86278	0.4
145.02824	11.8
163.03873	100.0
164.04236	1.6
237.79237	0.5
273.35764	0.4
375.04745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1015
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
67.96150	0.2
70.22189	0.3
71.52662	0.3
71.52980	0.4
72.15763	0.3
79.05466	0.9
83.04919	0.6
89.03893	5.3
94.50115	0.2
95.04921	0.7
100.36386	0.2
107.04942	2.1
112.55711	0.2
117.03357	7.3
135.04385	17.5
145.02820	11.2
163.03870	100.0
164.04199	3.5
181.04903	0.4
228.72083	0.2
273.12613	0.2
303.30792	0.3
305.86722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1016
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.29368	0.4
53.03912	0.4
63.02347	0.4
71.18781	1.1
78.00225	0.3
79.05473	1.2
82.91205	0.4
89.03900	5.7
95.04944	0.7
107.04921	1.6
109.07660	0.5
117.03357	8.5
135.04391	17.9
145.02818	12.1
163.03873	100.0
164.04173	1.9
194.84648	0.4
265.44495	0.4
288.98804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3359
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
52.73165	0.2
53.03930	0.2
55.05501	5.2
56.05019	0.8
57.05792	1.0
57.06792	0.3
57.07064	6.2
58.02935	1.0
58.06585	13.0
59.04955	0.2
60.04506	1.7
67.05487	3.3
68.60261	0.2
69.03392	0.2
69.07053	9.5
70.02932	1.4
70.06251	0.3
70.06578	3.4
70.07368	0.3
71.04970	0.8
71.08617	3.9
71.11375	0.7
72.04505	1.2
72.08115	0.5
74.06059	1.2
74.63154	0.2
79.05482	0.6
81.07037	5.8
82.06563	0.8
82.58521	0.2
83.04967	0.6
83.08600	6.9
84.08121	2.7
85.06523	0.4
85.10153	1.6
86.06055	3.2
87.04456	0.3
87.06815	0.9
88.03963	0.3
88.07585	0.5
93.06999	1.0
95.08585	7.3
97.06538	0.6
97.10149	4.3
98.09666	0.9
105.07024	0.3
107.08566	0.7
108.08076	0.6
109.06493	0.5
109.10134	3.7
111.11686	2.6
112.07590	0.5
112.11252	0.2
119.08544	0.3
121.10123	0.6
123.08028	0.6
123.11668	2.3
125.13228	0.7
126.09118	0.4
135.11589	0.3
137.13199	1.0
139.14886	0.3
143.72009	0.2
151.14845	0.4
162.49765	0.3
197.69351	0.2
268.29926	0.5
277.28775	0.3
282.53897	0.2
294.31396	1.8
306.31555	1.8
307.29794	1.8
308.33148	1.7
313.23227	0.2
318.31653	0.5
319.29855	0.5
324.32535	0.5
326.34198	1.7
336.32550	7.9
337.30493	1.4
354.33582	100.0
355.33923	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	13.2
57.07055	44.5
67.05492	38.1
69.03418	56.5
69.07046	20.1
71.08613	53.7
71.50556	17.7
72.08158	8.3
79.05453	22.4
81.03384	15.1
81.07051	60.4
85.10155	27.2
91.05458	26.0
93.07014	31.8
95.08588	56.8
97.06458	10.6
97.10117	9.2
105.07001	35.7
107.08572	28.1
109.06489	13.1
109.10088	9.6
119.08563	29.3
121.10118	33.0
123.08020	20.1
123.11593	8.0
131.08527	21.9
145.10031	8.5
147.08046	10.4
147.11646	31.1
149.09587	100.0
155.14268	50.6
163.03888	29.4
165.12793	11.0
175.11177	44.3
193.12233	12.5
235.20590	47.8
242.28229	15.1
273.25613	20.4
283.24167	10.1
301.25208	93.2
319.26199	67.0
354.13495	8.1
354.24091	9.2
354.33807	18.9
354.40900	94.0
355.17691	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	353.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.05501	11.8
57.03415	3.2
57.07053	4.3
65.03917	2.0
67.05492	72.5
68.05814	1.1
69.07055	12.5
69.69215	10.1
69.86411	1.4
71.04970	2.4
71.08595	2.1
75.04453	1.4
79.05010	1.7
79.05476	34.8
81.07042	79.6
82.07361	2.0
83.08591	6.5
85.06505	2.5
91.05460	18.2
93.07028	48.5
95.04932	1.8
95.08590	58.9
97.06506	2.9
97.10136	3.6
99.08070	2.4
105.07017	13.7
107.08575	37.1
107.09308	1.9
109.06500	2.1
109.10137	33.3
111.08047	2.0
111.11734	1.3
117.07004	8.2
119.08562	13.1
121.09240	1.6
121.10123	32.0
123.08064	1.9
123.11684	16.1
125.09603	1.9
127.74953	1.1
131.08551	20.2
133.10114	13.0
135.11678	27.4
136.11952	1.2
137.09579	1.6
137.13237	7.0
139.63791	1.1
145.10103	13.5
147.11655	8.8
149.13223	20.8
151.11139	1.8
151.14743	2.7
153.12689	1.5
159.11667	13.5
161.13228	9.6
163.11127	1.5
163.14796	11.8
165.12753	2.1
173.13225	15.2
175.14767	3.5
177.16336	3.9
180.41255	1.0
180.92825	1.1
187.14778	9.4
191.14247	1.7
201.16284	2.6
201.20226	1.2
205.15785	1.3
233.22609	3.7
243.21039	23.3
244.21407	1.8
251.16260	1.1
261.22095	100.0
262.22482	6.8
263.23737	1.8
279.23120	3.9
335.25726	6.7
353.26810	39.7
354.27170	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	2.6
54.65615	0.6
55.01866	1.6
55.05502	13.9
55.05751	0.6
57.03426	6.6
57.07066	4.1
58.63432	0.6
65.03932	2.4
67.05493	99.0
67.12374	0.6
68.05825	1.8
69.07055	12.4
69.55881	3.7
69.56311	3.1
71.04977	2.6
71.08630	2.2
75.04472	2.0
79.05481	38.5
80.05840	0.8
81.07042	100.0
82.07383	1.8
83.04962	1.6
83.08599	9.2
83.09058	0.9
85.06546	2.8
91.05464	20.8
93.07028	55.7
95.04954	3.1
95.08592	79.6
96.08908	1.4
97.06503	3.7
97.10152	4.2
99.08058	3.4
105.07014	17.8
107.08577	40.9
108.08913	1.8
109.06500	2.1
109.10139	42.3
110.10464	1.2
111.08076	2.3
111.11699	1.4
113.09649	1.3
117.06998	8.0
119.08555	14.7
121.10125	27.6
122.10400	0.8
123.08070	1.9
123.11685	24.0
124.12046	0.7
125.09645	1.5
131.08548	19.0
131.09538	1.1
133.10112	13.2
135.08080	0.8
135.11673	27.2
136.12025	1.4
137.09579	1.6
137.13229	9.2
139.11137	1.6
143.08459	0.8
145.10112	16.9
146.10362	1.0
147.11659	10.9
149.09602	0.9
149.13229	21.0
149.14430	1.1
151.11185	0.9
151.14803	2.5
153.12712	1.0
159.11670	14.1
160.12086	0.7
161.13248	11.1
163.11192	1.6
163.14799	11.8
165.12733	1.8
173.13235	14.7
174.13742	0.9
175.14806	3.7
177.12772	1.5
177.16342	5.1
179.14337	1.9
187.14757	8.0
189.16386	0.9
191.14180	0.9
201.16348	2.1
205.15891	2.0
215.17961	1.1
217.19423	0.8
219.17332	1.3
233.22633	4.7
243.21053	27.2
244.21397	2.2
261.22101	98.8
262.22452	7.4
263.23569	1.0
267.30841	0.7
279.23138	6.5
317.24747	1.3
335.25757	17.2
336.25928	1.0
347.14816	0.7
353.26788	37.8
354.27316	4.0
354.33536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39702	0.8
53.03926	2.7
53.68602	0.9
55.05505	12.5
57.03416	4.1
57.07059	5.4
57.47947	1.0
63.40575	1.0
65.03928	3.4
67.05491	83.7
68.05840	1.2
69.03419	1.2
69.07055	14.3
71.04967	3.0
71.08604	2.0
77.03905	1.1
79.05476	47.2
81.07039	94.1
82.07359	2.7
83.04967	2.3
83.08609	7.9
85.06515	2.4
91.05453	18.5
93.07025	63.1
94.07340	1.2
95.04930	3.4
95.08588	68.0
96.08935	1.3
97.06497	3.5
97.10149	4.6
99.08073	2.0
105.07003	21.2
107.08566	42.4
109.06503	2.6
109.09385	1.8
109.10130	36.5
110.10501	1.3
111.08042	1.6
113.09605	1.8
117.07001	9.2
119.08566	16.6
121.10117	34.2
122.10448	1.8
123.08068	2.1
123.11688	19.8
124.12002	1.1
125.09642	1.7
129.06981	1.2
131.08540	24.1
132.08887	1.2
133.10115	15.8
135.11664	26.6
137.09612	2.0
137.13239	7.4
139.07582	1.0
143.08578	1.3
145.10092	17.8
147.11653	12.9
149.09674	1.2
149.13232	24.3
151.11143	1.6
151.14781	2.0
153.12733	1.8
157.10175	1.3
159.11668	16.0
160.12016	1.3
161.13210	10.0
163.14789	14.9
165.12730	1.6
168.50964	0.9
173.13214	16.8
173.14561	1.4
175.14807	4.7
177.12775	1.9
177.16335	6.1
179.14182	2.1
187.14777	12.0
189.16447	1.9
191.14243	1.7
201.16409	2.8
205.15854	2.1
215.17926	1.7
217.19499	1.3
229.43550	1.4
233.22621	5.0
243.21045	29.6
244.21320	1.9
261.22086	100.0
262.22449	7.1
279.23190	4.0
323.27090	0.9
335.25705	10.1
353.12534	1.0
353.26837	36.6
354.27023	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	1.5
53.81051	0.4
55.01855	1.0
55.05502	14.5
56.63641	0.5
57.03427	6.0
57.07065	5.1
59.04979	0.6
65.03912	2.6
67.05491	87.6
68.05810	1.5
68.87706	0.5
69.07057	13.3
71.04971	2.5
71.07203	0.5
71.08621	2.0
71.87491	0.6
75.04475	1.1
77.03880	0.6
79.05479	38.6
81.07039	99.8
82.07362	1.6
83.04978	1.8
83.08605	7.8
85.06530	3.1
86.15143	0.5
91.05462	16.9
92.05775	0.6
93.07026	52.9
94.07374	1.1
95.04969	2.5
95.08588	76.9
96.08920	1.6
97.06524	3.3
97.10162	3.7
99.08095	3.0
105.07006	17.1
106.03041	0.5
107.08572	35.7
108.08884	1.1
109.06496	1.9
109.10135	38.7
110.10473	0.8
111.08052	1.9
111.11750	1.1
113.09618	1.4
117.06996	9.0
119.08560	15.8
121.10118	31.3
122.10458	0.7
123.08032	1.6
123.11681	21.8
125.09602	1.5
127.11187	0.6
129.05470	0.5
129.06999	1.1
131.08540	19.0
133.10104	12.9
134.10403	0.7
135.08095	0.9
135.11664	25.9
136.11998	0.8
137.09612	2.1
137.13231	8.7
139.11121	1.3
143.08534	0.7
145.10095	13.9
146.10385	0.5
147.11656	10.7
149.09578	0.6
149.13226	20.4
149.14423	1.1
150.13530	0.8
151.11116	1.1
151.14746	2.6
153.12732	1.4
159.11665	13.4
161.13223	9.2
163.11192	1.3
163.14793	14.2
165.12692	1.9
173.13232	17.3
174.13573	0.9
175.14784	3.8
177.12718	1.6
177.16341	5.2
179.14301	2.1
187.14766	8.1
191.14270	1.8
201.16414	2.9
205.15913	1.9
215.17873	1.5
219.21007	0.7
233.18982	1.2
233.22557	4.1
243.21031	27.1
244.21335	1.3
261.22092	100.0
262.22437	4.9
263.23648	1.7
279.23166	6.2
317.24646	1.5
335.25729	16.5
336.26151	1.3
353.26813	35.6
354.23154	0.7
354.27060	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43108	0.5
51.91948	0.4
53.03930	0.8
55.05488	1.6
57.03415	1.4
57.07050	0.6
59.04954	0.5
61.02903	1.1
64.04482	0.5
65.02097	0.5
65.03918	0.8
67.05482	2.1
69.03418	16.0
69.06683	0.9
69.07056	15.1
69.98511	3.0
71.01317	0.6
71.04978	1.5
73.73678	0.5
79.05465	2.0
81.03393	2.0
81.07043	4.1
83.04962	3.4
83.08593	1.1
85.02889	10.3
85.06541	1.0
91.05437	2.3
93.07021	4.4
95.04958	1.2
95.08587	5.5
96.08923	0.7
97.02881	1.9
97.06508	1.1
98.20742	0.7
99.04462	1.0
103.03941	0.6
105.07024	3.7
107.04927	0.9
107.08582	10.6
109.02864	0.8
109.06487	1.7
109.10146	0.9
111.04398	0.8
111.08063	4.4
117.06961	0.8
119.08556	5.1
121.06464	1.6
121.10126	6.2
123.08062	3.9
127.03890	3.8
129.06934	1.1
131.08546	7.5
133.02811	1.2
133.10103	7.0
135.08031	14.4
135.11644	2.4
137.09677	0.6
139.03824	0.6
140.92033	0.5
143.08536	1.7
143.17586	0.5
144.09282	0.9
145.04973	1.0
145.10068	2.3
147.11623	3.2
149.09593	6.5
149.13257	2.7
151.03905	0.7
157.04881	0.6
158.10919	3.9
163.14798	3.4
173.13240	16.2
174.13599	0.7
175.14836	1.8
176.12010	0.7
179.03365	3.0
191.14281	100.0
192.14639	5.4
353.19489	12.0
354.19894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03928	2.9
55.01855	2.3
55.05264	1.7
55.05503	22.7
56.05868	1.6
57.03427	16.9
57.07059	8.5
57.84661	1.6
65.03918	4.5
67.05494	92.2
68.05818	2.1
69.07056	20.0
70.06588	2.4
71.04974	6.5
71.08620	7.6
71.39257	2.2
75.41547	1.3
77.10957	1.2
77.33669	1.3
79.05479	32.3
81.07043	100.0
83.04973	2.3
83.08598	12.2
84.08113	3.5
85.06517	5.2
85.10172	4.7
87.78699	1.2
91.05458	21.6
93.07028	36.4
95.04951	5.2
95.08591	81.1
96.04483	1.8
96.26167	1.3
97.06483	7.0
97.10138	5.9
99.08049	2.6
105.07013	12.6
107.08574	20.0
107.19169	1.5
109.06443	2.7
109.10145	25.4
111.08031	3.1
117.06987	4.3
119.08554	10.0
121.10122	19.7
123.07941	2.3
123.11718	8.8
128.88481	1.6
131.08527	6.0
133.10115	8.1
135.08052	2.5
135.11667	12.4
137.09587	2.2
137.13245	3.5
141.63246	1.4
145.10086	5.3
147.11653	5.6
149.13220	5.9
155.14258	4.5
159.11700	2.4
161.13271	6.7
162.11014	1.5
163.11072	1.4
172.07491	1.5
173.13231	4.2
175.14818	2.8
187.14745	2.9
199.07112	2.5
205.83914	1.5
243.21078	1.8
261.22165	8.0
335.25906	2.8
353.09769	1.8
353.20660	4.9
353.26822	79.4
354.27170	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	353.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01851	1.2
55.05485	1.9
57.03416	1.9
57.07047	0.7
58.11466	0.5
61.02905	0.8
63.66501	0.5
67.05492	3.0
69.03417	17.4
69.07053	15.1
70.06557	0.6
70.93240	1.5
71.01332	0.5
71.04961	2.3
73.02895	1.2
74.16422	0.4
79.05463	2.4
81.03396	2.2
81.07040	4.4
83.04963	2.5
83.08605	1.3
85.02892	11.9
85.06512	1.9
87.04461	0.9
91.05467	2.7
93.07039	3.4
95.04963	1.1
95.08589	5.1
96.08878	0.6
97.02886	2.7
97.06497	1.5
99.04456	1.3
100.11199	0.6
103.03900	0.7
105.03381	0.7
105.07012	4.9
107.04909	1.0
107.07898	0.7
107.08575	10.4
109.02866	1.1
109.06534	2.5
109.07211	0.5
109.10114	1.3
111.08055	4.4
116.06218	0.6
117.07035	0.9
119.08562	5.2
121.02832	0.7
121.06466	2.0
121.10127	6.8
123.08054	4.5
127.03883	4.4
129.07031	0.7
130.56415	0.6
131.08537	8.1
133.02783	1.0
133.06490	0.8
133.10098	8.4
135.08023	13.5
135.11649	3.2
137.02313	0.6
137.09581	1.1
139.11113	0.7
143.08527	2.0
145.04942	0.8
145.10081	3.9
147.11667	3.9
149.09581	5.0
149.13219	2.2
151.03841	0.7
158.10889	3.6
163.11125	0.6
163.14790	3.9
171.11566	0.6
173.13231	17.6
174.13649	1.0
175.14806	2.0
179.03377	2.2
180.03716	1.6
189.12590	0.6
191.14278	100.0
192.14610	5.0
206.58678	0.5
227.39511	0.5
274.88293	0.6
325.07111	0.8
335.18677	0.7
353.06430	1.8
353.19525	12.7
354.19858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01851	1.0
55.05491	2.0
55.05722	0.4
57.03417	1.6
57.07057	0.7
61.02906	1.1
67.05482	2.0
69.03419	18.0
69.07055	13.3
70.06572	0.7
71.04970	1.9
71.53909	1.0
73.02891	1.0
79.05486	2.5
81.03387	2.2
81.07037	4.2
83.04965	3.4
83.08605	1.3
85.02890	10.8
85.06517	1.1
86.09677	0.7
87.04462	0.7
91.05461	2.5
93.07030	4.2
95.04952	1.5
95.08582	6.5
97.02885	3.2
97.06501	1.0
99.04436	1.3
100.11262	0.6
105.07013	4.5
107.04898	1.0
107.08581	8.8
108.08880	0.5
109.02866	1.0
109.06497	2.5
109.10162	1.0
111.04450	0.6
111.08069	4.6
117.06978	1.1
119.08559	4.9
121.06487	1.5
121.10122	6.0
123.04393	0.8
123.08051	3.3
127.03893	3.6
129.06950	0.6
131.08553	9.0
133.02838	0.6
133.06519	0.7
133.10103	9.2
134.03212	0.7
135.07008	0.8
135.08031	13.2
135.11636	3.0
136.08415	0.6
137.09578	1.2
143.06931	0.4
143.08516	1.2
145.10101	4.0
147.07990	0.7
147.11662	4.0
149.09583	4.9
149.13248	2.4
155.14221	0.4
158.10930	3.3
161.02307	0.7
161.05824	0.5
163.11032	0.5
163.14789	4.9
165.07202	0.4
173.13237	18.2
174.13585	0.9
175.14778	1.4
179.03378	2.0
180.03673	2.1
189.12721	0.5
191.14284	100.0
192.14622	6.0
244.44611	0.4
309.12149	0.6
325.06970	1.8
335.18500	0.9
350.50964	0.4
353.06326	4.2
353.15820	0.4
353.19553	11.2
354.06589	0.5
354.19604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01872	4.2
55.05494	7.5
57.03424	6.0
57.07066	5.3
59.04979	3.5
61.02905	4.7
62.85601	1.9
67.05138	1.7
67.05493	6.7
69.03419	29.2
69.07055	18.6
70.06579	2.0
71.04972	10.2
71.79848	2.7
73.02894	4.6
76.87952	1.7
79.05498	8.9
81.03398	11.1
81.07051	23.5
83.04967	10.3
83.08592	6.9
84.08115	2.7
85.02890	26.5
85.06512	5.4
91.05457	11.6
93.07025	19.1
95.04946	13.3
95.08578	17.5
97.02892	10.8
97.06506	5.9
99.04442	6.4
99.08087	2.6
101.02325	2.0
103.03921	2.2
105.07011	24.5
107.04960	3.8
107.08578	34.8
109.02886	4.6
109.06511	9.7
109.10114	10.3
111.04417	4.0
111.08069	4.6
115.03933	3.0
117.07032	4.1
119.08554	25.5
121.06483	6.0
121.10127	35.0
121.10955	2.9
122.10493	2.2
123.08041	9.8
123.11699	5.1
125.06030	2.3
125.09612	3.7
126.31800	2.1
127.03902	12.4
129.06982	4.2
130.06502	17.7
131.08536	39.4
133.06546	2.5
133.10106	23.0
134.06021	6.1
135.08025	17.4
135.11685	12.2
137.05983	2.2
137.09589	4.5
137.13234	2.4
139.85359	2.1
142.07802	2.1
143.08537	5.1
144.09302	4.4
145.04948	5.8
145.10100	17.8
147.08012	2.1
147.11662	17.6
149.09618	10.3
149.13266	18.8
150.05489	15.2
151.07550	4.5
151.11160	2.2
152.07048	17.4
153.09090	5.5
155.14293	3.7
156.09363	2.9
157.10094	4.5
158.10881	8.5
159.11674	8.4
161.13248	4.9
163.08646	9.5
163.11179	2.3
163.14795	18.4
167.14342	5.5
169.07701	1.8
171.10347	2.5
171.11714	6.3
173.09732	2.0
173.13231	71.3
173.15398	4.1
174.13614	4.7
175.14792	33.9
176.15150	3.8
179.03352	2.4
185.13263	2.4
189.12721	5.1
191.14275	100.0
192.14648	7.4
195.10103	3.6
201.12730	4.5
207.13860	2.7
209.15338	19.0
211.14519	2.1
215.14149	3.8
225.08733	5.4
233.15366	3.9
249.10228	4.1
257.15265	2.3
267.11533	2.2
273.14877	3.0
275.11804	6.0
279.11169	3.2
281.12872	9.0
291.15836	4.0
292.14337	6.9
293.12842	3.6
299.16541	2.2
310.15488	9.6
317.17334	4.9
335.18591	7.7
353.13004	3.5
353.19568	36.9
353.23709	3.0
354.14410	10.6
354.19656	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.05497	3.5
57.03420	4.9
57.07056	4.7
59.04990	2.4
61.02913	2.7
65.03947	1.8
67.05488	6.4
69.03414	22.0
69.07064	13.3
71.04969	5.9
71.78968	2.2
73.02882	2.2
79.05482	18.7
81.03416	7.2
81.07045	17.7
83.04958	3.0
83.08606	2.5
85.02890	21.9
85.06516	2.4
91.05464	11.3
93.07027	33.0
95.04955	6.8
95.06466	1.3
95.08582	12.6
97.02884	8.3
97.06519	3.7
99.04431	3.9
101.02310	1.5
103.05402	1.4
105.07018	23.0
106.07296	1.3
107.04902	4.0
107.08575	78.6
109.02865	4.8
109.06482	5.7
109.10132	8.3
111.04414	5.6
115.05494	1.3
117.07014	3.5
119.06073	1.4
119.08562	19.3
121.06496	3.7
121.10131	54.9
122.07260	2.9
122.10487	2.1
123.04402	2.1
123.08091	2.6
127.03891	6.8
129.06946	1.4
131.08568	10.5
133.10107	100.0
134.10483	2.6
135.08018	6.3
135.11662	18.4
137.02328	7.3
137.05980	1.9
137.09593	42.6
138.02637	3.3
138.09950	2.1
143.08543	4.2
143.93166	1.4
145.04950	1.8
145.10100	9.5
147.08023	1.9
147.11635	7.2
149.09618	9.2
149.13235	18.1
150.13611	1.4
151.11156	2.2
155.14255	4.0
156.14632	6.4
157.10114	3.1
158.10948	1.7
159.07996	1.8
159.11664	4.8
161.09561	2.8
161.13242	8.1
163.11192	2.7
163.14799	25.4
164.15263	1.8
169.10063	1.5
173.09564	2.9
173.13237	12.0
175.11189	3.3
175.14830	3.8
177.12738	15.0
181.12181	3.8
185.09576	1.8
187.11110	1.7
187.14786	3.6
189.12733	6.3
191.14279	58.7
192.14728	3.4
193.12347	2.1
195.13832	2.0
201.12802	2.3
203.14293	4.8
205.15836	2.8
207.13725	2.1
209.15329	9.6
215.14276	4.6
221.15317	1.6
233.15312	8.4
247.51787	1.4
257.15427	2.6
271.16904	2.8
275.16327	2.1
287.16342	2.4
289.18109	1.8
299.16312	4.6
317.17419	7.3
323.26608	1.6
325.19977	1.5
335.18484	13.3
336.19043	1.4
353.15317	2.4
353.19498	29.3
354.19897	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79105	1.2
53.03944	2.3
55.01625	1.2
55.01853	7.7
55.05501	20.2
57.03417	3.0
57.07068	20.3
65.03915	1.9
67.05492	61.6
69.07056	27.1
70.06565	11.0
71.04984	2.6
71.08617	18.0
71.39256	3.2
72.08128	2.9
79.05470	13.4
81.07040	92.2
83.04962	6.1
83.08602	22.3
83.11089	1.4
85.06514	3.7
91.05470	6.5
93.07030	15.9
95.04968	2.1
95.08588	84.9
97.06525	4.8
97.10156	13.8
99.08073	2.2
105.07018	6.0
107.08570	12.3
109.06532	1.6
109.10135	37.9
109.60773	1.4
111.08035	2.2
111.11702	4.9
115.08669	13.0
119.08566	5.4
121.10123	10.7
123.08080	2.8
123.11682	20.7
125.09596	1.4
125.13279	2.1
131.08566	2.5
133.10120	5.2
135.11662	6.9
137.09592	2.3
137.13235	10.4
141.12708	7.7
145.10071	3.6
147.08020	2.5
147.11656	1.5
149.13268	4.0
151.14798	4.2
153.12698	3.9
159.11670	2.1
161.13264	6.1
163.14746	2.6
165.16367	2.9
175.14664	1.7
177.12759	1.6
177.16299	2.4
179.14313	3.1
179.17937	2.0
181.12265	1.4
187.14780	2.6
191.14357	1.7
193.19434	1.5
195.17502	2.6
209.15408	2.8
212.20105	2.3
215.17795	2.6
217.19432	1.4
223.16978	2.7
226.18069	2.3
235.20595	1.6
237.18443	3.2
241.89305	1.3
251.20061	4.4
265.21576	2.0
293.24774	2.5
299.27362	3.0
306.07550	3.3
307.30042	2.7
317.28259	10.0
335.29385	100.0
336.29575	2.4
352.08096	3.7
352.32059	29.4
353.31772	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0838
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
71.05031	7.9
73.96564	2.2
79.67803	2.4
79.82211	2.0
85.02869	2.9
91.42911	2.1
96.83835	2.3
125.43866	2.0
175.77325	2.3
290.77213	2.2
317.14301	2.2
353.08478	100.0
354.08841	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	353.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58864	0.5
56.55649	0.4
67.05493	0.8
68.83586	0.5
69.07034	0.9
69.78095	1.1
69.78506	3.2
70.06557	0.6
79.05454	0.5
81.07051	0.7
82.47456	0.4
91.05440	1.0
93.07039	0.9
95.08591	0.6
95.19933	0.5
98.28955	0.5
105.06997	0.9
107.08646	0.7
109.10116	0.6
191.07193	1.8
219.06685	2.4
234.05524	0.9
246.05524	2.1
247.06255	3.2
249.05482	0.7
250.04933	1.2
262.04974	1.2
263.05972	0.5
264.06519	10.8
265.07153	1.2
274.05017	1.2
276.06531	1.9
279.05185	2.5
280.06113	1.2
280.09665	3.7
290.08044	9.3
292.06015	8.0
293.06741	5.4
294.07425	1.1
308.09122	100.0
309.09415	6.2
321.11334	1.0
322.07056	7.8
323.07861	1.5
341.50381	0.5
353.13852	1.4
353.21698	0.6
354.09799	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2887
Annotation	Plakorsin B
Peak:m/z	Relative Intensity
53.00291	2.2
53.03935	2.2
55.01854	4.3
55.05502	30.8
57.03424	2.9
57.07066	91.3
58.07398	2.2
60.39571	1.1
65.03908	2.1
67.05494	53.0
68.05824	1.6
69.07056	41.3
70.07400	1.4
71.04977	5.6
71.08619	97.0
71.53373	2.1
72.08928	2.2
72.59707	1.4
79.05485	16.3
81.07043	87.1
83.01328	3.3
83.04961	7.0
83.08606	22.8
85.02885	10.5
85.06524	4.5
85.10168	26.3
91.05468	14.5
93.07027	17.8
95.04956	8.7
95.08589	74.9
97.06529	6.2
97.10148	14.8
99.08075	2.2
105.07004	14.5
107.04945	2.6
107.08579	12.8
109.06520	6.6
109.10143	23.2
111.04430	2.9
111.08065	2.8
111.11705	4.5
114.05305	1.4
117.06984	2.1
119.08566	14.5
121.10120	8.3
123.04418	7.6
123.08052	4.9
123.11698	11.1
125.05949	4.7
127.07533	1.9
131.08577	2.7
133.06459	1.5
133.10098	14.4
135.11636	9.6
137.05928	3.4
137.09602	3.8
137.13211	10.3
139.07512	2.1
141.12727	20.0
145.10036	1.3
147.07965	2.5
147.11687	6.0
149.13232	4.6
151.09630	1.4
151.11151	2.3
151.14760	6.6
153.12718	3.6
155.14288	23.9
159.11732	1.8
159.89761	1.2
161.13219	3.4
169.93126	1.1
171.11682	1.4
175.14783	15.9
177.12708	1.6
179.14273	3.3
181.15901	1.3
183.13847	1.7
193.15858	7.4
195.13748	6.8
197.15341	11.7
207.13841	2.5
207.17439	2.2
209.15382	2.4
211.16873	14.2
221.15288	3.6
221.18987	1.9
223.16960	3.3
225.18358	1.5
234.82057	1.4
235.16907	4.6
235.20700	1.6
237.18462	1.8
239.16426	1.5
277.21786	1.9
287.27377	5.4
305.28320	13.0
307.29959	3.1
315.26819	3.9
323.29434	5.7
333.24329	1.4
333.27802	25.3
334.28113	2.2
351.28915	100.0
351.32654	3.4
352.29114	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	351.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.3
55.57441	1.1
57.07064	61.2
58.16550	1.1
67.05492	23.8
69.07051	9.1
71.04970	1.2
71.08617	85.4
71.83389	1.8
74.09709	1.1
79.05472	2.7
81.07040	55.5
83.04960	1.9
83.08592	6.9
85.02863	1.9
85.06548	1.8
85.10168	47.4
88.11250	1.2
89.06007	2.0
91.05470	1.6
93.07031	2.9
93.49104	1.1
95.08588	68.0
96.08891	1.2
97.10128	5.0
105.07040	1.0
109.10140	4.3
111.11666	1.6
115.08197	1.1
123.11707	3.1
133.10107	1.0
135.11765	1.4
137.13235	16.4
138.93814	0.9
151.09656	1.6
153.12726	2.8
155.14279	100.0
156.14638	1.7
163.14821	1.3
167.49355	1.0
171.72227	0.9
179.17990	1.7
181.15923	1.1
193.19446	1.3
197.18982	3.2
209.15172	1.0
221.24426	1.0
255.22295	0.9
305.32025	3.0
315.30408	2.3
324.74817	1.0
333.27872	1.7
333.30991	4.6
351.32391	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	351.2887
Annotation	13E-Labdene-8alpha,15-diol 15-acetate
Peak:m/z	Relative Intensity
55.05500	19.6
57.03419	6.6
57.07067	68.7
67.05175	3.7
67.05496	51.1
67.20312	3.3
69.07056	31.4
71.04964	8.0
71.08235	4.7
71.08617	95.1
73.02882	4.3
79.05481	24.7
81.03413	3.5
81.07043	93.3
83.04952	11.5
83.08583	9.7
85.02890	54.1
85.09720	4.6
85.10171	45.3
89.06006	11.5
91.05453	20.7
93.07023	32.1
95.04935	9.4
95.07987	5.5
95.08589	100.0
96.36279	2.9
97.06495	7.5
97.10116	6.6
98.20547	5.6
105.07002	47.8
106.07384	3.2
107.08579	21.5
109.06493	12.2
109.10123	19.4
111.04458	4.5
113.05984	3.7
117.06986	10.3
119.08566	41.9
121.10155	14.4
123.08002	11.6
123.11680	22.0
131.08548	4.7
133.10104	28.9
135.11646	31.7
137.09642	7.8
137.13197	8.0
143.49036	3.6
145.10103	4.1
147.11662	5.4
149.13266	3.4
151.09622	11.6
152.09912	4.7
155.14272	61.2
157.10016	4.0
159.11662	9.5
161.13235	69.4
163.11160	3.7
165.12770	5.7
171.11761	3.4
179.14288	18.8
185.13240	4.0
199.16872	36.2
211.16943	16.6
229.66150	3.5
229.68083	3.9
277.21518	12.9
287.27173	3.9
291.23108	3.3
303.26764	7.4
306.07455	8.4
315.26782	29.0
333.27896	30.3
351.28912	74.5
352.08096	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	351.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46656	1.3
55.05499	11.8
56.25915	1.4
56.77420	1.4
57.07066	73.7
58.07389	1.4
64.33357	1.4
64.85222	1.5
65.58176	1.7
67.05496	30.9
68.05827	1.5
69.07064	16.5
70.51213	1.5
71.04967	2.1
71.08620	100.0
71.23803	3.6
71.24152	2.4
72.08944	1.4
72.61604	1.2
77.08675	1.7
79.05463	5.5
81.03412	2.9
81.07043	68.7
81.07531	3.7
82.07355	2.9
83.08601	7.6
85.02893	3.0
85.06551	2.0
85.09661	2.9
85.10168	45.9
91.05469	3.3
93.07016	5.9
95.04945	4.6
95.08591	71.0
97.06492	2.1
97.10145	3.4
99.08100	1.8
105.07021	4.1
107.05040	1.8
107.08563	3.6
109.06483	3.1
109.10137	10.0
119.08559	4.8
121.10130	4.3
123.08068	1.7
123.11675	2.3
133.10117	3.4
135.11635	3.5
137.13211	11.9
141.12718	3.3
147.11635	1.5
149.13205	2.6
151.09613	2.0
151.14810	2.1
155.14290	61.9
156.14609	2.3
175.14771	6.1
193.15831	4.0
197.15346	4.9
211.16881	3.5
213.57532	1.5
306.07483	1.9
307.29941	5.9
333.27783	3.2
351.30609	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83822	3.7
53.03922	8.3
55.05504	20.5
57.03418	9.8
57.07056	15.8
61.95259	3.6
67.05496	59.3
69.07060	19.4
70.06567	8.1
71.04987	7.5
71.08604	13.9
71.79025	7.8
72.08112	6.1
77.25935	3.3
79.05481	67.4
81.07043	70.0
83.08591	8.7
85.06527	6.0
85.10155	4.7
91.05468	52.3
93.07027	100.0
95.04951	11.7
95.08594	51.3
97.06508	6.7
98.09679	10.9
99.08053	4.7
105.07007	52.9
107.08574	63.8
109.06532	4.6
109.10131	18.7
112.46652	3.3
117.06981	17.0
119.08570	56.8
121.10127	51.8
129.06999	8.2
131.08551	25.1
133.10117	50.1
135.08092	5.1
135.11673	48.8
137.02286	9.8
143.08546	10.3
145.10117	26.4
147.11667	48.1
149.09579	4.3
149.13225	25.7
157.10126	13.3
159.11644	26.6
161.13257	34.5
163.11009	5.3
163.14778	9.1
171.11705	16.5
173.13223	10.7
175.14813	18.1
177.05402	3.6
185.13196	10.5
189.12715	5.1
195.61581	3.8
199.14761	8.4
213.16238	7.9
215.17946	4.2
231.17355	4.5
231.21085	4.8
233.08095	7.3
241.19489	46.7
259.20563	95.0
277.21552	16.6
333.24213	14.8
350.74277	4.7
351.25354	98.7
352.25507	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.05504	30.7
57.07069	15.1
67.05493	37.6
69.07063	65.4
71.08611	9.8
71.79094	7.1
71.79520	9.6
79.05468	29.7
81.07040	79.8
83.04968	6.5
83.08615	18.7
91.05472	41.6
93.07027	85.9
95.04951	36.8
95.08591	88.9
97.06522	23.9
105.07011	98.5
107.08578	66.4
108.08922	5.9
109.06499	14.0
109.10159	49.7
117.07003	16.7
119.08555	100.0
120.08904	8.2
121.06506	12.9
121.10119	67.0
123.08034	6.3
123.11684	21.6
128.06197	9.9
129.07010	14.7
131.08568	47.4
133.10101	58.5
135.07997	16.5
135.11653	18.6
137.09650	6.6
137.13234	14.8
142.07791	14.1
143.08556	35.3
145.10075	71.8
145.62041	5.4
146.07288	9.7
147.11650	32.4
149.09621	16.2
149.13199	9.4
155.08582	6.3
155.14301	7.8
156.09322	14.1
157.10081	60.8
158.10815	6.9
159.11691	37.2
161.09581	56.4
161.13303	17.4
169.10097	13.4
171.11630	40.3
173.13293	22.9
175.11166	10.4
175.14748	15.6
177.16385	22.5
183.11647	18.6
185.13268	15.0
187.14801	10.6
189.16396	13.9
194.10912	8.2
197.13210	14.1
199.14801	12.3
201.16383	8.9
209.13214	29.1
215.17809	6.7
225.16293	7.4
239.17802	8.1
241.19522	16.2
255.21132	6.1
259.20557	7.6
351.26697	39.0
354.61008	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
53.43951	1.5
55.05502	15.1
57.03427	9.8
57.07063	6.7
64.96812	1.7
65.03926	2.0
67.05495	49.1
69.07049	21.2
70.06640	1.4
71.04964	3.3
71.08606	6.3
72.30667	1.5
72.54341	1.4
75.04458	2.3
79.05480	63.7
81.07043	62.7
83.04950	2.5
83.08591	7.8
85.06518	4.0
85.10165	2.7
91.05460	53.1
93.07027	91.7
94.07302	1.8
95.04955	7.7
95.08591	42.5
96.08910	1.7
97.06496	5.2
97.10157	3.2
99.08088	5.7
105.07008	58.4
107.08571	56.3
107.09303	2.7
109.06522	2.2
109.10132	15.6
109.77205	1.7
111.08096	2.1
117.07005	13.3
119.08560	60.5
120.08956	2.3
121.06541	2.6
121.10124	42.8
123.08076	3.9
123.11686	3.7
125.09605	3.0
129.06960	9.5
131.08553	24.0
133.10109	53.3
135.08002	3.1
135.11664	41.7
137.09630	2.7
143.08562	12.1
145.10077	21.8
147.11665	46.8
149.09570	3.9
149.13234	25.8
151.07489	2.7
151.11157	3.2
154.64842	1.6
155.14275	7.3
157.10074	11.4
159.11671	19.9
161.09705	2.5
161.13240	40.2
161.14520	3.1
163.11194	3.4
163.14816	11.2
165.79207	1.8
171.11667	12.4
173.13237	12.5
175.11140	2.0
175.14786	23.6
177.12779	2.7
179.07051	3.4
185.13254	15.3
187.14818	4.7
189.12775	3.7
189.16441	2.2
199.14816	7.2
203.18028	1.6
213.16267	2.9
217.19537	4.7
221.15364	2.8
231.17326	2.8
231.21027	11.4
241.19420	33.5
259.20538	98.7
260.20932	4.0
277.21622	15.8
333.24203	11.0
351.05017	1.6
351.25262	100.0
352.25656	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.6
52.27472	1.4
53.03924	6.6
55.01847	5.7
55.05268	1.8
55.05500	27.3
57.03198	1.7
57.03427	22.9
57.07061	8.3
57.41535	1.9
62.41355	1.5
63.77583	1.4
65.03918	5.9
67.05492	90.4
69.03431	1.9
69.07056	21.5
70.88090	1.6
71.04974	12.7
71.08612	8.7
71.80971	1.7
75.04485	1.7
79.05479	100.0
80.05820	2.2
81.03386	2.3
81.07041	91.8
82.07333	1.8
83.04951	6.4
83.08608	11.6
85.06522	4.0
85.10178	2.4
91.05460	69.5
93.07024	93.8
94.07360	1.8
95.04946	15.6
95.08587	67.0
96.58672	1.6
97.06503	9.0
97.10135	2.1
99.08088	3.1
105.04507	2.7
105.06990	36.7
107.04927	5.3
107.08569	39.6
109.06475	5.0
109.10139	14.5
111.08044	3.1
113.09588	1.8
117.06982	11.8
119.08563	28.5
121.06442	2.2
121.10121	49.3
123.04393	4.0
123.08017	3.3
129.06953	3.5
131.08530	14.5
133.06538	1.5
133.10098	24.5
135.04428	2.7
135.11668	24.3
136.12100	1.4
137.02254	2.3
137.05956	3.5
137.09627	2.3
143.08568	3.0
145.10127	11.0
147.11629	12.7
149.09601	2.1
149.13255	9.0
151.03868	12.7
155.14316	2.4
157.10136	3.0
159.11664	6.6
161.02322	3.8
161.13223	5.8
163.11177	2.7
171.11743	5.1
173.13239	4.4
175.14786	2.7
179.03363	30.3
179.14320	1.7
180.03703	2.0
185.13251	3.3
199.14783	2.2
241.19499	4.7
255.09555	1.5
259.20563	16.5
277.21527	4.2
291.15945	3.2
322.07080	3.0
333.24173	3.3
337.09393	4.8
351.25269	81.4
352.11734	4.9
352.28720	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	350.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.4
56.05006	1.4
57.06836	0.8
57.07071	10.7
58.03987	0.7
66.15284	0.7
67.05489	5.1
68.05019	7.5
69.07053	3.6
70.02926	2.5
70.90446	1.5
70.90786	1.1
71.08304	0.7
71.08627	9.5
79.05476	2.7
80.04993	0.8
81.07047	7.8
82.06597	1.6
83.08589	1.2
85.10171	5.1
91.05451	3.9
93.07029	2.2
95.04942	1.8
95.08595	8.2
96.04479	4.2
103.05447	1.3
105.03383	1.2
105.07287	3.7
106.06586	0.9
107.04916	5.3
107.08595	1.7
109.06523	1.5
111.04419	3.6
115.05424	3.0
117.06950	0.8
118.91155	0.8
119.04917	1.7
119.08558	1.6
121.10084	0.9
123.04427	11.4
130.06512	1.8
131.04936	1.2
132.08075	0.8
133.06456	2.1
133.10426	3.9
134.05986	3.0
135.04388	4.3
135.08244	1.1
135.11649	0.8
137.05952	5.6
138.05495	1.5
139.03923	1.9
143.04906	4.3
147.04431	0.7
147.80225	0.8
152.06993	1.1
155.14282	2.4
157.06471	1.2
158.05983	2.0
160.07489	1.2
161.05920	6.0
162.05478	19.9
171.11945	4.2
176.07022	7.0
177.05461	0.8
178.08603	19.9
181.44327	0.7
188.06985	1.3
190.23558	0.7
194.18973	2.1
196.16965	3.2
198.18524	4.9
208.16898	10.7
253.25896	0.7
314.21069	2.4
332.22141	100.0
333.22470	7.9
334.06906	0.9
335.07645	0.9
350.10001	2.9
350.13876	1.7
350.23169	23.7
351.23541	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	350.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39714	1.2
55.05503	9.6
57.03412	1.9
57.07083	1.1
59.04981	2.3
61.02901	2.2
67.05499	7.1
69.03410	4.9
69.07060	5.9
70.06580	1.5
70.09288	1.8
70.09705	4.2
70.42623	1.2
71.04971	10.2
79.05479	5.9
81.03404	2.0
81.07042	22.1
82.07380	1.6
83.04978	2.6
83.08598	15.0
85.02885	20.2
86.09676	2.7
91.05462	4.6
93.07025	42.3
94.07293	1.1
95.08587	28.6
97.02865	4.9
97.05925	1.9
97.06511	20.6
99.04420	1.3
101.05956	0.9
101.09637	4.0
105.07015	3.2
107.08570	58.1
108.08879	2.2
109.02848	2.1
109.06519	1.1
109.10131	38.1
110.10422	2.0
111.08054	2.9
119.08577	2.0
120.08075	1.3
121.02848	1.3
123.11678	19.0
127.03882	3.2
127.11114	1.4
133.06456	1.7
134.10475	1.2
135.11665	100.0
136.12006	3.5
141.12743	4.6
145.04906	4.3
147.05956	1.1
153.12708	51.6
154.13072	1.8
170.12550	1.4
171.13773	66.3
172.14128	2.7
177.04028	1.5
177.05453	1.4
179.06860	1.0
184.05768	1.2
231.03021	1.6
245.41212	1.2
350.11331	1.2
351.08456	1.3
368.08768	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01860	2.9
55.05501	11.6
57.03427	5.6
57.07056	11.9
59.04973	2.4
60.04507	4.3
61.02905	6.6
67.05477	10.1
69.03419	19.5
69.07054	54.3
70.06573	2.6
71.04961	4.6
71.78955	2.7
73.02909	3.6
74.00661	2.6
76.02249	2.4
77.50980	1.8
79.05482	25.0
81.03399	9.4
81.07040	11.6
83.08597	9.0
85.02888	81.9
86.03241	3.2
86.09684	3.0
87.04453	2.3
89.70489	2.2
91.03932	4.1
91.05457	25.3
93.07030	65.4
94.07360	3.4
95.04931	3.3
95.08587	21.0
97.02866	22.5
97.06517	11.1
99.04434	5.4
99.76939	2.0
105.03383	3.4
105.07014	8.3
107.08572	59.3
109.02867	9.7
109.10133	7.1
117.06980	2.2
119.08533	5.8
120.01128	3.7
121.06465	2.3
122.02715	6.6
123.11689	2.3
124.11948	1.9
125.13240	9.2
127.03880	16.7
132.10144	4.3
133.10100	5.6
135.11668	100.0
136.12025	4.3
139.86681	1.9
145.04962	15.2
145.10123	2.6
153.12720	16.3
158.53517	2.0
163.06010	2.6
163.11070	2.0
170.04489	1.9
179.10707	2.5
229.11520	2.0
278.08176	2.7
350.13800	7.8
350.28925	19.4
351.12125	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	350.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71525	0.6
53.03931	1.4
55.01849	1.1
55.05499	1.9
57.03426	1.7
57.07071	1.7
60.04509	3.2
61.02907	3.1
65.03938	0.7
67.05486	2.3
69.03409	5.1
69.07061	3.7
71.04977	1.7
71.12730	2.2
73.02904	1.5
79.05482	17.1
80.05802	0.8
81.03402	2.5
81.07039	6.1
83.04971	1.4
83.08600	1.8
85.02889	31.7
85.06551	1.2
86.03238	0.7
86.09689	2.4
87.04480	0.7
89.03898	3.5
90.17384	0.7
91.03942	1.3
91.05453	5.9
93.07027	37.5
94.07370	1.0
95.04955	3.1
95.08570	3.8
97.02876	6.5
97.06528	3.6
99.04443	1.0
100.11239	2.6
105.06992	2.4
107.08573	27.5
108.08888	0.8
109.02847	3.6
109.10162	3.3
111.04448	1.2
117.03366	12.2
119.08556	2.1
120.08084	5.9
121.02832	4.7
125.13294	1.2
127.03911	9.2
133.10127	2.3
134.03624	0.8
135.04381	1.2
135.11668	100.0
136.12006	3.9
137.13251	1.4
145.02824	26.9
145.04910	10.6
145.10092	0.9
149.05943	3.3
153.12714	11.6
157.10066	0.8
159.11708	0.8
163.06024	2.7
167.01561	1.1
175.14680	0.7
177.05441	52.5
185.12846	0.9
191.11734	1.7
195.01093	1.2
195.06450	1.0
240.10275	1.0
277.22925	1.1
278.24182	0.7
297.16882	1.6
309.41879	0.7
324.57687	0.7
340.75821	1.0
350.28638	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	350.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.05495	5.3
57.03418	2.1
57.07065	2.4
61.02926	2.5
64.74204	1.3
67.05488	5.1
69.03407	4.4
69.07050	6.4
69.61076	4.7
69.61500	10.1
71.04976	2.3
79.05476	13.3
81.03416	2.3
81.07040	21.2
85.02891	20.5
86.09702	16.9
91.05453	12.7
93.07031	93.9
94.07389	1.8
94.16144	1.6
95.04946	4.5
95.08598	11.4
97.02864	5.6
97.06519	8.6
105.07015	5.0
107.08580	60.4
109.06477	2.6
109.10138	5.8
119.08573	2.9
120.08085	6.7
121.10123	3.0
125.09689	1.5
127.03912	5.5
133.10156	2.1
135.11674	100.0
136.12012	5.8
137.13239	12.5
145.04929	4.3
145.69490	1.5
153.12732	11.0
157.13342	6.0
163.06047	1.7
166.08638	2.4
171.13771	3.7
185.12854	6.1
202.32883	1.3
207.12439	1.5
236.44307	1.5
237.12361	2.1
246.69843	1.6
253.45757	1.6
307.11777	3.4
309.07693	2.0
322.07852	2.0
323.09143	5.5
350.07333	10.4
351.08319	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	350.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75847	0.8
55.05508	4.1
55.05722	0.8
56.05008	3.1
57.03407	1.2
59.04973	1.4
60.04517	47.7
67.05492	7.4
69.03407	0.9
69.07047	4.9
70.06577	1.7
70.94229	0.9
70.94592	3.0
71.04984	10.9
73.06532	3.2
74.06068	1.1
77.18164	0.7
79.05480	4.9
81.06592	1.6
81.07040	20.3
81.07527	1.2
82.06545	1.1
83.08593	2.2
84.08109	1.0
85.02876	2.4
86.09677	1.1
87.19317	0.8
89.00617	0.9
91.05460	13.4
93.07024	14.6
95.04932	1.3
95.08184	0.6
95.08599	7.1
97.02874	0.9
97.06507	1.6
100.07590	1.0
100.11233	1.0
105.07021	3.1
107.08576	10.0
109.02867	0.8
109.06483	0.9
109.10146	5.1
117.06966	1.2
118.27546	0.8
119.08521	2.0
121.10124	2.3
123.08040	1.1
123.11697	1.3
127.03905	1.7
131.08517	1.5
133.10075	2.6
135.10739	1.3
135.11681	17.4
136.12009	1.5
145.04919	1.5
145.10164	1.2
147.11617	1.0
153.12717	100.0
154.13095	5.2
161.09598	1.1
171.13803	1.9
175.14832	1.2
187.47772	0.8
209.04102	0.8
260.23694	1.7
278.24869	3.8
282.79602	0.8
296.25748	5.2
307.11673	2.5
314.26825	3.9
332.27911	16.3
350.10776	1.2
350.28937	47.2
351.29205	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.273
Annotation	13-Acetoxygeranyllinalol
Peak:m/z	Relative Intensity
52.69070	1.6
53.03926	4.4
54.29354	1.7
55.01842	1.9
55.05499	39.7
57.03409	3.9
57.07067	43.3
57.16306	1.7
59.04998	11.4
59.22429	1.9
65.03924	2.2
66.47473	1.8
67.05495	34.4
69.03424	5.0
69.07057	61.1
69.81843	1.9
71.04948	2.2
71.08236	2.8
71.08620	55.9
79.05479	17.2
81.06586	4.1
81.07041	56.8
83.04953	6.2
83.08603	100.0
85.02864	4.2
85.06535	3.9
85.10168	26.7
89.40848	2.4
91.05471	20.5
93.07030	32.2
95.04954	9.9
95.08589	83.1
96.08915	2.4
97.06514	2.7
97.93774	2.2
99.08083	2.7
105.07014	32.2
107.04910	2.7
107.08574	29.9
109.06499	10.5
109.10136	12.6
110.37644	2.0
115.05495	2.1
117.06990	11.4
119.08562	35.9
121.06502	10.8
121.10143	19.5
123.04395	2.9
123.08057	7.2
123.11682	5.7
129.07014	7.8
131.08546	18.1
133.06471	4.2
133.10100	17.1
135.08035	11.3
135.11681	29.5
137.05939	5.7
137.09618	2.4
137.13225	6.3
142.07788	3.4
143.08534	9.1
144.09317	7.6
145.06519	2.2
145.10097	12.5
147.08031	9.3
147.11662	8.7
149.09615	5.0
149.13258	9.9
151.07509	8.7
151.11180	2.2
155.08559	3.8
155.14290	30.0
156.09329	2.3
157.10077	10.2
158.10875	4.6
159.08035	2.2
159.11674	31.6
161.09633	10.5
161.13197	3.0
163.07524	2.5
163.11119	2.3
169.10112	2.3
171.11638	3.3
173.09650	2.5
173.13202	3.1
175.11295	4.3
177.12721	32.0
179.14377	2.5
185.13245	2.4
187.14761	3.7
189.12732	4.1
195.11600	3.2
237.18471	13.0
245.19002	2.3
249.18442	22.4
251.20103	4.8
263.20023	61.2
264.20267	2.4
273.22183	15.2
275.20105	8.7
277.21579	8.2
285.25641	2.9
289.21588	10.0
289.24948	4.5
303.26855	5.0
307.26224	2.5
313.25192	14.1
319.26141	2.8
331.26294	22.9
349.27560	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.273
Annotation	6-Pentadecylsalicylic acid
Peak:m/z	Relative Intensity
54.24280	0.3
55.01867	0.6
55.05502	3.6
56.46231	0.3
57.03413	0.4
57.07065	2.6
59.04991	0.7
67.05494	5.0
69.07056	7.5
69.61330	3.9
71.04971	1.1
71.08608	2.0
73.06522	0.5
79.05477	3.7
81.07037	7.9
83.04963	1.3
83.08607	3.7
85.06520	0.7
85.10170	0.5
87.72917	0.4
91.05471	2.2
92.53080	0.4
93.07036	4.5
95.04963	0.7
95.07990	0.5
95.08589	7.8
97.06503	1.5
97.10153	1.5
99.08067	0.7
105.06995	2.4
107.08574	5.1
109.06501	9.1
109.10149	3.3
111.08036	1.4
117.06989	0.9
119.08568	3.3
121.06496	1.8
121.10129	2.9
123.08044	50.3
123.11686	1.5
124.08369	0.9
131.08542	1.1
133.10129	2.3
135.08012	3.2
135.11646	2.5
137.09596	2.7
137.13268	0.5
145.10098	1.2
147.11732	1.9
149.09634	1.3
149.13235	1.7
151.11168	0.5
155.14247	0.8
157.10057	0.5
159.11688	1.4
161.13188	0.9
165.12706	0.7
167.14323	0.6
175.11197	0.5
177.12711	1.1
179.14284	12.8
194.08049	0.9
233.19034	0.7
275.19998	1.4
281.20987	0.5
289.25244	1.0
293.21054	13.1
294.21432	0.5
303.26801	0.8
304.11166	0.7
307.22751	0.4
322.12210	1.5
331.22830	0.5
331.26312	3.1
349.27304	100.0
350.11725	1.0
350.27557	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	349.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.8
55.05505	11.7
57.03386	1.4
57.07066	32.2
59.04991	50.2
60.64489	1.5
62.88150	1.7
66.60576	1.9
67.05489	20.9
69.03400	3.7
69.07062	15.0
71.04972	4.7
71.05704	2.6
71.06038	2.1
71.08620	36.4
79.05481	18.8
81.03377	8.7
81.07041	51.3
83.04963	25.9
83.08582	4.3
85.02876	9.0
85.06519	4.4
85.10161	15.7
91.05466	14.3
93.06493	1.9
93.07033	22.1
95.04943	21.7
95.08592	36.8
97.02840	1.5
97.06503	4.9
97.10168	2.0
98.36692	1.5
103.05400	2.2
105.07018	29.4
107.04942	8.4
107.08583	15.9
109.06505	8.3
109.10138	6.9
111.04425	17.6
111.08082	1.7
115.05436	2.1
117.06989	7.3
119.04918	5.1
119.08545	17.9
121.06493	22.2
121.10114	6.0
123.08038	17.7
127.11152	18.1
128.06287	1.8
129.06966	4.3
131.08563	10.1
132.47626	1.7
133.06462	4.9
133.10104	8.9
135.08012	7.6
135.11679	4.5
137.09563	2.1
137.13199	3.0
143.08522	4.5
144.09271	2.1
145.10056	5.6
147.08005	5.7
147.11697	2.6
149.09557	2.5
149.13217	4.7
155.14281	20.8
155.55017	1.6
157.10135	6.7
159.11671	19.2
161.09612	21.1
161.13206	2.0
163.11157	1.8
171.11653	1.9
173.13171	2.5
175.11200	3.9
175.14876	2.0
177.12709	25.3
185.13283	1.9
193.15865	3.2
195.13725	2.3
195.17410	5.6
197.15279	2.5
198.43082	1.5
211.16956	2.9
223.16895	100.0
224.17223	3.1
249.22144	1.9
263.19940	4.6
265.21609	3.5
273.22076	34.3
289.21396	1.8
291.23105	6.2
293.21167	1.7
303.26746	20.9
331.26236	4.3
349.27319	18.7
352.19449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80477	0.6
53.03938	5.7
57.03416	3.1
61.02903	2.5
69.03416	17.4
70.92577	2.5
71.04977	5.9
77.69463	0.6
81.03401	27.0
81.07021	0.7
83.07627	0.7
84.04493	3.4
85.02888	58.5
85.04826	0.9
86.03239	1.1
97.02866	4.6
99.04435	30.8
99.73391	0.7
101.04199	1.0
103.03921	66.5
104.04261	1.3
107.08538	0.8
107.67051	0.7
109.02855	25.6
127.03888	100.0
128.04224	1.6
129.81154	0.7
145.04935	14.0
161.57840	0.7
163.05988	2.1
187.05988	10.1
216.16893	0.7
247.11560	1.2
253.07040	3.6
271.08115	3.3
349.13403	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2731
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.91303	0.4
53.03924	0.5
55.01860	0.5
55.05499	3.8
56.05021	1.0
57.07072	3.7
59.04976	0.5
67.05498	4.1
69.07061	7.2
69.44061	1.0
69.44485	3.5
71.04971	1.5
71.08631	3.0
73.06573	0.4
79.05492	2.7
81.07042	7.1
83.04965	1.2
83.08603	2.4
85.06526	1.6
85.10169	0.4
91.05460	1.9
93.07035	4.5
95.04951	0.9
95.08589	7.9
97.06515	1.1
97.10138	0.8
98.21445	0.8
99.08060	0.7
105.07013	2.5
107.08568	4.7
109.06502	12.9
109.10140	3.2
111.08071	1.4
117.06988	0.7
119.08566	3.0
121.06493	1.3
121.10134	3.7
122.07259	1.0
123.08050	41.0
123.11684	1.2
124.08382	0.6
125.09553	0.5
131.08545	1.1
133.10080	2.4
135.08000	3.2
135.11671	2.3
137.09608	2.3
137.13229	0.4
141.76344	0.4
145.10085	1.3
147.11655	1.5
149.09578	0.9
149.13234	1.7
151.11166	1.1
155.08504	0.4
155.14240	0.8
159.11655	1.4
161.13249	1.2
163.11176	0.6
165.12772	1.0
167.14297	0.6
177.12759	1.4
179.14284	47.2
180.14642	1.2
187.14807	0.5
193.15894	1.4
200.03409	0.5
235.09476	1.1
247.20604	0.4
248.10335	1.3
249.10968	0.9
257.19104	0.4
261.07443	0.6
262.08853	0.4
263.08914	2.8
263.20010	0.8
265.06821	0.9
275.19977	1.4
276.09979	1.4
277.10556	4.6
278.10870	0.5
281.21094	0.5
288.28745	0.4
289.10355	1.0
290.08160	2.8
290.10849	0.5
291.08411	15.7
292.08917	2.3
293.13663	1.0
293.21069	9.4
303.08173	0.6
303.26678	0.6
304.09662	1.4
305.09985	17.6
306.10709	7.6
307.10983	0.8
320.12735	2.0
321.13107	44.1
322.13321	4.0
331.26257	2.6
337.65820	0.4
349.12646	14.5
349.27325	100.0
350.12930	1.3
350.27670	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	349.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43859	3.8
67.64053	3.5
69.89795	19.8
69.90196	8.4
84.04487	3.4
94.92998	6.2
98.21362	3.7
99.56262	3.6
106.31693	3.3
131.63423	3.1
155.98300	3.2
185.15320	3.7
212.85117	5.7
214.84993	6.5
262.40060	4.0
294.80945	5.5
349.05182	12.3
349.08832	100.0
350.09171	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	349.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17152	0.9
53.03923	5.5
55.01857	1.4
55.05495	1.7
55.34108	0.7
57.03416	2.8
57.07075	0.8
61.02900	1.7
62.11664	0.9
67.05493	1.4
69.03078	1.4
69.03416	16.1
69.07038	2.1
70.06573	5.6
70.25972	4.1
71.04962	7.4
72.08134	1.8
76.03971	1.2
81.03402	31.6
81.07029	3.3
83.04964	3.2
84.04494	4.0
84.08110	0.9
85.02889	58.8
85.04816	1.8
86.09698	5.9
86.36230	0.8
91.05470	1.6
93.07021	2.1
95.04936	1.6
95.08582	2.5
97.02873	4.8
99.04435	31.1
100.75287	0.9
103.03923	65.3
104.04290	1.1
105.06993	1.8
105.64211	0.8
107.08544	0.8
109.02861	25.9
109.10145	1.4
111.04408	0.7
111.08055	1.6
115.03860	1.0
115.60910	0.8
116.07170	0.9
120.08084	1.0
121.84998	0.8
123.11714	2.3
127.03890	100.0
128.04219	1.3
128.07098	1.2
133.10056	2.2
145.04932	11.7
151.11142	2.4
163.05991	3.0
169.12213	2.6
183.14868	1.3
187.05986	8.3
201.23784	0.8
247.11806	2.0
253.07060	2.7
271.08057	3.5
349.13535	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	3.3
61.55320	2.9
69.03394	4.0
71.47005	2.8
71.79707	5.1
81.03358	5.4
84.04449	6.6
84.08080	5.8
85.02887	15.3
86.03201	3.3
86.09651	6.8
97.02851	7.6
98.97518	3.0
101.00812	5.0
115.05019	4.8
119.01910	16.9
121.06402	5.8
127.03812	5.8
130.05000	3.2
131.01849	6.4
132.10127	3.5
133.03410	4.2
135.04277	3.0
136.06078	7.2
137.06534	3.3
138.09071	2.6
142.08594	2.8
145.03366	9.2
145.04863	5.8
151.15782	2.6
152.06973	3.5
155.01779	3.8
157.03360	5.6
161.02887	6.6
163.03796	8.1
169.03366	4.1
173.02914	3.4
175.04521	6.6
187.04391	4.6
193.00102	2.7
212.03964	3.8
215.00215	5.5
217.82030	2.8
222.68626	2.6
223.06479	4.8
247.02777	5.7
265.07498	6.8
305.10663	4.2
307.08481	7.6
349.08652	100.0
350.09222	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	349.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.2
55.05492	0.3
60.20852	0.2
63.02367	0.2
64.40981	0.1
65.03924	2.2
67.05489	0.3
68.41483	0.1
69.03410	0.2
69.59185	0.6
69.59612	0.8
71.04996	0.1
75.54119	0.1
79.05479	0.4
81.03397	0.3
81.07040	0.5
83.08576	0.2
84.04490	0.6
85.02895	0.5
85.04800	0.2
91.05464	100.0
92.05801	1.6
93.07014	0.3
95.04983	0.1
95.08601	0.5
97.02850	0.1
98.20675	0.3
100.87353	0.2
103.03918	0.3
105.07015	0.5
107.08586	0.4
109.02858	0.4
109.10138	0.3
117.07024	0.2
117.98773	0.1
119.08592	0.3
121.06462	0.2
121.10148	0.2
125.00526	0.4
127.03944	0.3
131.08542	0.2
132.08107	0.1
133.10065	0.3
141.00043	0.2
145.10118	0.3
149.09612	0.3
150.26222	0.2
153.00056	0.6
157.10153	0.2
159.11664	0.2
159.60068	0.1
165.09030	0.2
165.12727	0.2
167.01616	0.4
168.99524	6.4
179.01620	0.3
183.01097	0.2
195.01102	0.5
213.02106	0.2
225.02026	0.2
241.01486	1.3
253.37285	0.1
259.04221	0.4
275.20181	0.3
303.39276	0.2
331.06171	0.2
349.07571	0.5
349.13379	0.2
349.23810	0.4
352.17123	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	348.2738
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03939	0.8
55.05497	3.0
56.05028	3.2
57.03429	0.9
57.07079	0.6
60.04515	100.0
61.04860	0.7
65.03915	0.4
67.05495	10.0
68.05016	0.5
69.03407	0.5
69.07055	3.0
70.06589	0.9
71.04990	0.7
71.47623	0.8
72.04492	1.8
73.02913	0.4
74.06083	2.3
79.05484	7.5
80.05003	1.2
81.03413	1.0
81.07040	10.1
82.06569	1.9
83.04979	0.4
83.08624	1.4
83.12614	0.4
84.04501	4.3
84.08114	0.4
85.02881	1.9
85.06548	1.4
86.06074	1.0
90.05546	1.2
91.05465	7.3
93.07033	8.9
94.06557	2.2
95.04981	1.3
95.08601	9.0
96.08131	1.4
97.06524	1.0
98.06048	0.5
99.04454	1.1
99.08100	0.6
100.07590	0.8
100.11229	0.6
103.03939	1.3
105.07011	4.1
107.08574	5.6
108.08134	0.8
109.02869	0.8
109.06495	0.9
109.10139	3.5
111.04470	0.4
111.08035	0.8
112.07578	0.9
116.07080	0.9
117.06989	1.7
119.08569	3.5
120.08066	0.6
121.06490	0.6
121.10119	4.0
122.09639	0.5
123.08055	0.5
123.11685	1.1
125.09631	0.7
126.05531	1.0
126.09222	0.5
127.03892	1.0
129.06992	0.6
130.08673	0.4
131.08566	2.2
133.10091	3.3
134.09619	0.6
135.11688	3.4
136.11203	0.4
143.08575	0.6
145.10132	2.0
147.11601	2.1
148.11188	0.7
149.13257	1.0
151.11240	0.5
157.10092	0.5
159.11693	1.4
161.13239	1.0
163.14880	0.5
169.12312	0.4
171.11627	0.8
173.13292	1.0
175.14857	0.5
185.13283	0.7
191.35648	0.4
203.17995	0.7
217.19408	0.5
248.86078	0.4
254.55121	0.4
256.61380	0.4
258.22107	0.8
264.23135	0.6
276.23218	3.6
287.10318	0.7
294.24213	5.3
312.25287	8.3
330.26334	30.1
331.26740	1.8
348.12955	1.4
348.27402	84.9
349.27744	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	348.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05502	3.6
55.72734	0.7
56.05023	4.2
57.03449	0.9
57.07063	1.1
57.95858	0.6
58.06577	0.7
60.04517	96.6
60.40236	0.6
64.09592	0.7
67.05495	12.5
69.03422	1.2
69.07067	2.5
70.06581	1.5
71.04976	1.4
71.81655	1.0
72.04509	2.4
74.06066	1.9
79.05479	8.7
80.05019	1.0
81.03413	2.0
81.07047	10.7
82.06573	3.4
83.04980	1.1
83.08621	2.6
84.04494	22.3
84.08105	1.0
85.02898	7.0
85.06548	2.0
86.06063	1.2
88.83534	0.7
90.05540	1.4
91.05459	10.1
93.07023	9.3
94.06566	2.1
95.04942	1.2
95.08599	8.7
96.08103	1.7
97.02875	1.1
97.06525	0.9
98.06041	1.4
99.04451	3.3
99.87247	0.7
100.11234	2.2
103.03919	6.6
105.03451	0.7
105.07016	4.2
107.04973	2.0
107.08599	5.3
109.02869	2.6
109.06499	1.0
109.10155	8.8
111.08092	0.8
112.07623	1.2
116.07043	0.8
117.06995	1.8
119.08577	3.1
120.08098	1.9
121.06465	1.0
121.10147	5.0
123.11710	2.0
126.05482	4.3
127.03886	4.5
129.06992	0.9
131.08583	2.2
133.10130	3.0
135.08098	1.2
135.11707	3.2
137.05930	0.8
138.06306	1.3
145.04956	1.4
145.10106	1.4
147.11705	2.1
149.09549	1.0
151.11168	2.9
157.10257	0.8
159.11664	1.5
161.05840	0.7
161.13222	0.9
169.12242	2.1
173.13150	2.2
182.15495	1.1
185.13286	0.9
186.07646	2.0
204.08669	2.1
211.77138	0.8
219.02890	0.8
247.08083	0.9
264.23260	0.8
270.24185	0.8
276.20483	0.8
276.23270	3.2
276.72708	1.5
286.04062	0.8
294.24280	6.2
300.09464	1.4
312.25299	9.0
330.26370	25.4
331.12817	0.8
331.26855	1.5
348.12997	7.0
348.27393	100.0
349.13010	1.0
349.27756	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	348.2528
Annotation	CAY10590
Peak:m/z	Relative Intensity
53.64774	0.3
55.05505	0.5
56.05006	0.2
57.07066	0.5
62.33780	0.2
67.05500	0.3
69.07059	0.6
71.08610	0.8
71.50636	0.2
71.79255	0.3
71.79639	0.3
79.05480	0.4
81.07040	0.7
91.05482	0.5
93.05772	0.8
93.07041	0.6
94.06559	0.3
95.04917	0.3
95.08604	0.5
105.07021	0.4
106.06541	0.3
107.07315	0.8
107.08526	0.4
118.06520	0.6
120.08062	1.2
122.06015	0.7
122.09664	1.3
127.07478	0.3
130.06509	0.5
132.08104	0.6
133.10112	0.3
134.05965	1.8
134.09592	0.4
136.06097	0.3
138.05392	0.2
144.08116	0.4
148.07555	2.2
148.11153	0.4
150.05507	1.6
162.09070	1.2
164.10722	1.6
165.07840	1.4
166.08655	1.3
176.07004	0.8
176.10677	0.9
179.09413	0.8
180.06529	1.1
190.12166	0.3
192.10106	0.5
194.08060	1.6
194.11757	0.7
201.11110	0.2
202.08592	0.5
204.13873	0.4
206.08025	2.3
206.11787	0.4
220.09660	3.4
233.62065	0.2
234.11255	2.1
234.18462	0.7
234.22099	0.6
236.12746	2.2
248.12804	0.5
248.20093	0.7
262.14478	0.3
276.23169	8.3
292.04294	0.3
302.24615	0.4
306.20633	0.4
312.19443	0.5
320.12646	0.3
330.20639	3.0
330.24319	0.5
348.21854	5.3
348.25284	100.0
349.21967	0.5
349.25684	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	348.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10402	0.7
55.05486	0.7
56.05017	0.8
61.02895	0.8
69.03402	1.9
70.06569	0.8
74.06052	3.4
84.04483	4.5
84.08116	0.8
85.02882	4.1
86.09695	5.2
88.03978	1.9
89.03875	0.8
91.05470	46.6
92.05805	1.0
94.74046	0.7
96.04439	1.3
97.02874	2.3
98.21422	2.7
105.07027	4.3
107.04947	1.7
111.04475	1.0
119.04923	66.6
120.05242	2.4
121.06463	3.6
122.09618	1.4
126.05524	4.1
127.03907	1.0
129.06551	1.5
130.06496	2.0
132.10152	2.5
136.06166	4.2
136.07526	2.3
137.05881	1.0
144.06537	9.0
145.04903	0.8
146.05956	1.0
151.07523	100.0
152.07887	4.8
163.03877	2.8
168.10065	1.0
169.04810	0.9
171.07690	1.6
188.07045	2.9
189.08656	7.4
199.07143	1.2
217.08209	6.0
227.17514	2.3
230.04640	1.5
298.12671	1.9
313.12671	1.1
330.16266	1.5
349.13907	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.05502	1.2
56.05028	2.2
57.03440	3.0
60.04516	8.7
61.40929	0.5
67.05478	1.6
69.03412	1.4
69.07065	1.0
70.51904	1.3
71.04984	1.5
73.02913	2.7
79.05483	1.1
80.05016	0.5
81.03405	3.3
81.07040	2.7
83.04964	1.5
84.04490	100.0
85.02888	27.4
85.04816	1.3
91.05453	1.5
93.07034	1.4
95.04936	0.6
95.08594	1.3
96.04482	1.3
97.02880	3.6
98.06043	1.2
98.20741	0.5
99.03853	0.8
99.04443	10.0
99.05020	0.4
100.04738	0.5
103.03926	32.1
105.03371	0.8
105.06960	0.9
107.08582	1.7
108.04460	1.9
109.02862	10.8
109.06543	0.6
109.10140	0.9
110.06006	1.6
113.06004	1.3
121.02833	3.9
123.11668	2.2
126.05494	21.1
127.03894	19.4
127.04844	0.9
133.10080	1.6
136.06131	0.6
137.05952	0.6
138.05452	1.2
143.06908	0.5
144.06560	1.7
145.04935	10.6
150.05463	1.5
151.11166	1.5
156.06554	2.2
163.05998	1.5
168.06563	4.2
169.04932	2.3
169.12172	0.9
186.07600	7.4
187.05983	2.2
204.08640	6.7
205.07033	0.7
209.08096	0.5
229.07079	1.7
247.08110	4.1
256.09637	1.0
268.11703	1.1
270.09763	0.6
286.12796	3.0
288.10709	0.5
294.24158	0.7
297.68094	0.5
304.18262	0.9
312.10739	1.3
312.25333	1.3
321.03958	0.5
330.11819	4.0
330.26270	3.4
348.12796	34.8
348.27206	3.9
349.13138	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27351	1.0
53.03948	1.1
55.01861	1.8
56.42009	1.0
57.03415	1.9
57.80943	1.2
61.02902	3.5
65.03926	13.3
69.03426	7.6
69.07033	1.6
71.04967	2.0
71.79822	2.0
72.08131	1.5
73.02896	1.0
81.03386	2.8
84.04477	4.2
85.02888	25.1
86.09703	2.1
91.03941	2.3
91.05466	2.8
93.03383	11.0
95.04947	1.2
97.02863	11.0
99.04428	1.8
109.02848	2.5
110.03620	4.0
111.04425	43.4
119.04932	1.9
123.04463	1.4
125.05972	32.5
127.03868	6.3
130.05026	1.0
130.06497	1.2
130.20508	1.1
136.06165	8.4
145.04955	8.4
151.03886	17.8
151.07475	5.4
163.03856	2.8
168.06535	2.4
169.04933	100.0
170.05264	3.4
180.08621	3.2
186.07629	1.3
186.11258	3.9
188.07043	4.4
201.12277	3.1
245.53201	1.2
273.10083	1.4
288.12250	10.9
348.14301	22.9
349.14365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01857	1.0
55.05494	0.6
57.03415	2.0
61.02913	2.4
69.03419	6.5
69.07028	0.8
69.75826	2.5
69.76237	1.0
70.06578	0.4
71.04964	1.6
72.08092	0.4
73.02900	1.8
81.03403	7.1
81.07037	1.1
83.04974	0.5
84.04491	11.2
85.02888	32.7
85.06538	0.4
86.09686	0.6
87.04452	0.7
91.03924	0.7
91.05465	11.9
93.07040	0.7
95.04954	3.3
95.08591	0.4
97.02881	6.7
98.07310	0.5
99.04436	6.0
103.03928	10.5
105.07004	1.1
105.67854	0.4
107.08562	0.7
109.02844	4.7
109.06504	0.8
119.04924	11.7
120.05292	0.5
123.08046	0.8
125.09703	0.4
126.05494	2.4
127.03889	18.3
133.06487	0.7
136.05171	1.4
136.06140	0.9
137.04607	0.5
137.05960	1.6
144.06583	0.5
145.04927	7.0
151.07515	100.0
152.07863	3.3
156.06503	0.6
163.03880	0.5
163.05969	1.0
165.09070	1.4
166.03455	0.4
168.13860	0.5
169.04890	0.6
169.08565	11.9
169.12144	0.5
175.07614	0.6
180.08653	1.9
181.08585	0.9
183.48643	0.5
186.07550	0.9
186.14917	0.8
187.05989	1.8
193.08519	1.5
235.09583	0.6
259.09598	0.8
271.08453	0.5
277.10742	1.6
348.12784	3.5
349.08829	2.6
349.12674	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2574
Annotation	CHEBI:91274
Peak:m/z	Relative Intensity
55.01855	2.1
55.05508	7.3
57.07065	34.0
65.03912	2.0
67.05492	15.4
69.03417	100.0
69.07046	10.2
71.04972	1.3
71.08619	45.2
71.82172	1.6
77.03881	1.3
79.05476	7.4
81.06594	2.5
81.07043	37.6
83.04962	3.4
83.08591	5.1
85.02888	14.6
85.06519	2.3
85.10162	26.2
88.09113	1.4
91.05466	19.9
93.07021	8.5
95.04954	4.1
95.08591	35.8
97.06506	5.8
103.05444	1.9
105.07021	27.8
107.04947	2.4
107.08569	8.1
109.06509	8.4
109.10130	5.6
111.04346	1.7
111.59937	1.2
113.05956	1.5
117.06988	9.9
119.04917	3.7
119.08567	17.7
121.06464	4.5
121.10104	2.3
123.08041	2.7
128.06198	3.1
129.06998	9.6
131.08549	11.5
133.06470	4.7
133.10089	10.2
135.08015	2.6
135.11723	1.7
137.05966	1.8
137.09552	8.3
137.13223	5.3
142.07764	5.8
143.08537	5.0
145.06470	2.4
145.10121	10.1
147.08038	4.6
147.11653	14.8
149.09578	6.8
155.14270	21.1
157.10077	13.3
159.08034	7.7
159.11620	2.6
169.10193	2.0
171.11736	2.2
173.09581	4.0
175.11157	36.1
176.11455	1.7
177.05450	3.7
177.09045	2.4
185.09644	2.1
193.12222	6.3
205.19569	1.7
211.16948	4.9
243.21173	2.1
245.19037	5.0
251.20099	1.5
253.88353	1.3
259.20596	1.3
261.22165	3.7
263.20013	9.3
301.24957	3.4
311.23724	5.3
329.24716	11.2
347.21939	3.7
347.25745	15.2
347.29630	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.4
57.07060	41.4
63.33472	2.8
67.05495	19.3
69.03036	5.4
69.03418	100.0
69.07064	15.1
70.00555	2.7
70.11590	2.7
71.08619	46.3
71.82464	4.9
76.00499	3.7
79.05476	9.0
80.19754	3.4
81.03402	4.6
81.07044	39.1
83.08620	6.1
83.74233	2.8
85.02889	12.5
85.10166	30.4
91.05475	23.4
93.07030	12.3
95.04945	5.8
95.08591	37.8
97.06491	3.4
99.04467	3.6
105.07006	20.0
107.04952	4.1
107.08583	6.2
109.06494	8.7
109.10166	7.4
117.07001	8.3
118.84179	3.2
119.04841	3.6
119.08554	17.5
121.06532	6.5
121.10134	5.2
129.06972	5.1
131.08568	11.5
133.06424	3.4
133.10155	4.6
137.09567	8.4
137.13319	3.6
142.07777	5.6
143.08551	3.9
145.10176	8.6
147.11676	13.1
149.09613	9.2
155.14285	20.4
157.10075	9.6
159.08032	8.9
173.09615	3.0
175.11180	38.3
177.09087	4.0
185.09616	3.8
193.12224	7.0
245.19008	3.6
263.20053	11.8
311.23688	4.5
320.12924	3.7
329.24747	8.2
347.25720	12.5
347.29572	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	347.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.1
55.05495	12.9
56.05010	4.4
57.07066	31.5
58.98112	4.0
59.04991	6.4
59.66577	3.7
67.05491	21.9
69.03410	17.8
69.07066	23.7
71.08624	35.6
71.81512	4.7
71.81915	4.5
74.22009	3.9
79.05484	21.3
80.05801	7.1
81.07047	40.4
82.06552	7.2
83.08591	11.5
85.02866	5.4
85.10180	19.2
91.05460	28.5
93.07021	17.2
95.04923	8.3
95.08596	39.6
97.06540	5.1
97.81979	3.7
105.07022	42.5
107.04939	59.4
107.08594	21.6
108.05282	27.0
109.06502	9.2
109.10141	6.0
113.06003	3.8
117.06989	13.4
119.04933	7.2
119.08562	31.3
121.06468	9.9
121.10123	9.4
123.11669	6.7
125.06006	4.8
129.06989	4.6
131.04854	4.5
131.08534	19.9
132.05649	5.4
133.06479	14.0
133.10118	17.3
135.04381	4.8
135.08025	9.2
136.06192	3.7
137.05959	20.0
137.09607	7.9
137.13142	6.1
142.07724	12.4
145.06461	8.0
145.10083	13.9
147.11670	48.3
149.09572	19.4
155.08411	4.8
155.14281	16.1
157.10115	20.4
159.08026	13.5
159.11661	8.5
160.08742	7.5
161.09622	9.3
165.12752	4.9
172.08784	9.4
173.09581	14.5
175.11162	100.0
193.12248	12.7
198.18474	28.9
199.18880	36.7
285.22104	55.7
301.25320	6.8
303.23187	46.5
304.23859	4.4
319.26178	6.7
329.24658	14.5
340.49921	3.6
347.25580	37.0
347.33383	13.1
348.25256	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	347.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.5
57.03419	0.9
64.40749	0.4
66.97264	0.5
69.03422	1.0
70.02948	0.5
70.06586	1.1
70.90095	1.4
72.08140	0.5
79.05513	0.5
82.99827	1.0
83.05004	0.5
84.04492	1.4
84.08117	1.5
85.02906	2.5
86.09692	1.2
89.03903	0.6
91.05457	0.7
95.04958	0.8
97.02885	1.2
97.70719	0.4
101.00864	7.0
103.03941	1.1
107.04939	0.6
113.03473	35.7
117.03342	0.6
119.01907	28.5
120.02012	1.7
121.06490	4.3
123.04450	1.1
124.07569	0.7
131.01877	1.5
135.04393	2.0
136.06181	8.4
136.07341	0.5
136.07639	0.5
137.02972	3.8
137.05997	0.5
138.09137	1.1
139.03902	1.2
139.98131	0.4
143.01877	62.9
144.01999	3.5
145.03558	0.5
145.04904	0.6
147.40857	0.5
155.01889	1.1
161.02936	100.0
162.03053	7.2
163.03896	6.4
167.03363	0.8
167.05467	0.4
169.04871	0.9
169.06071	12.1
173.02975	1.5
174.14981	0.5
179.03999	1.4
184.04533	5.7
185.02870	0.5
185.04616	1.0
185.06566	1.5
185.09288	1.6
191.03891	0.6
197.06627	0.6
203.03979	46.1
204.04118	2.7
209.06453	0.6
215.06586	15.5
216.06804	0.7
221.05014	2.1
224.17735	0.4
227.07599	2.5
245.05099	0.5
263.06183	1.7
263.80588	0.5
268.39835	0.5
287.09738	7.8
288.09973	0.9
305.10785	0.8
347.07697	0.7
347.11884	6.5
348.06912	1.4
348.12329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2735
Annotation	Himbacine
Peak:m/z	Relative Intensity
50.52158	0.3
51.02371	0.3
51.29833	0.3
52.79744	0.3
53.03935	1.6
55.05500	0.4
55.38042	0.4
56.05016	1.1
57.07064	2.1
67.05488	0.5
67.23846	0.3
69.07066	0.6
71.04346	0.7
71.08614	0.7
77.03904	0.4
79.05476	0.5
81.07027	0.7
82.06564	2.6
85.10183	0.3
91.05460	10.3
93.07024	17.4
94.07382	0.4
95.04949	4.2
95.08585	0.9
103.05449	11.7
104.05807	0.6
105.04487	0.5
105.07034	0.4
107.04934	1.0
109.10130	0.8
114.60321	0.3
117.59866	0.3
121.06482	100.0
122.06809	2.9
125.46011	0.3
164.10606	0.6
208.20584	0.3
213.09831	0.4
226.21619	19.4
227.22064	0.5
231.10701	0.4
300.82175	0.4
346.27347	85.0
347.27841	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	346.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.3
54.48807	3.3
55.01864	4.5
55.05496	41.3
56.96559	3.1
57.03425	6.5
57.07050	4.2
59.05002	4.0
67.05492	97.2
69.07055	50.7
70.06565	4.3
70.18762	3.1
71.04949	11.7
75.51476	3.5
79.05482	50.4
81.07040	99.2
81.07526	4.7
83.04980	8.4
83.08604	26.4
85.06535	9.3
91.05471	29.5
93.07033	48.2
95.04943	11.1
95.08588	47.9
97.06496	18.8
97.10132	19.8
98.97565	9.6
105.03438	4.3
105.07022	28.8
107.04952	6.4
107.08581	58.2
109.06534	9.6
109.10136	53.7
110.10458	4.1
111.08065	10.3
116.98584	4.7
117.06984	11.4
118.60502	3.7
119.08563	26.1
121.06459	6.0
121.10103	24.6
123.08076	6.7
123.11673	6.3
125.09602	20.3
131.08507	17.2
133.10101	34.7
134.99712	3.8
135.08035	9.6
135.11681	12.4
137.05927	4.6
137.09625	5.4
138.34682	3.2
143.08502	5.0
145.06537	4.4
145.10104	19.1
147.11668	13.3
149.09596	15.7
149.13235	29.8
151.03867	4.5
151.11105	4.7
155.10645	11.4
157.10100	3.8
158.99583	4.4
159.11635	21.1
163.11206	7.9
173.11714	73.4
173.13086	6.5
175.11095	5.1
177.12720	15.7
179.14310	6.0
185.19513	3.2
189.11195	20.2
195.13789	65.1
213.14832	44.6
233.11713	6.3
233.15387	4.0
239.18071	4.4
247.65897	4.2
257.18985	14.2
263.00485	4.4
275.20053	100.0
276.20294	8.1
293.21082	24.1
301.06943	7.9
329.21161	4.7
346.20227	9.2
346.26471	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	346.2369
Annotation	Dehydrodictysine
Peak:m/z	Relative Intensity
55.05506	1.6
57.07066	5.9
64.03213	0.3
67.05497	2.6
68.05006	0.7
69.07066	1.8
70.02922	1.1
71.08238	0.6
71.08618	8.2
71.60340	0.7
76.95112	0.3
79.05482	3.0
79.20544	0.3
80.05018	0.3
81.07050	4.4
82.06548	0.7
83.08604	0.7
84.04468	0.3
85.10171	4.7
91.05472	6.7
93.07024	0.7
95.08580	3.9
96.04477	3.4
98.06065	0.4
103.05457	5.7
105.07013	7.1
106.06554	1.0
107.04924	2.8
117.06993	1.3
118.06499	0.7
120.08080	3.9
128.03453	0.6
128.06245	0.5
129.06998	3.9
130.06508	1.0
131.04926	1.9
131.08521	0.4
137.13266	0.4
141.06895	0.3
143.08553	0.5
144.08061	4.2
145.06490	0.6
146.09625	12.6
155.14220	1.2
156.08072	1.0
158.09688	0.3
164.10684	0.3
168.08134	0.3
169.08815	0.6
170.09641	0.7
173.96387	0.3
174.09157	1.6
184.11182	0.8
192.10155	6.2
192.17450	0.4
194.19102	0.4
198.18527	2.3
208.16928	3.9
274.01062	0.4
282.22086	2.9
300.23181	26.2
301.23459	0.7
334.04523	0.4
336.13101	0.3
346.23721	100.0
347.24030	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	346.128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78473	0.4
57.03432	0.7
60.04514	3.0
62.06290	0.4
71.04983	0.7
71.25536	0.4
71.68925	0.8
79.05445	0.8
81.07044	0.6
85.06512	1.8
86.09707	0.5
91.05428	0.8
95.04897	0.4
97.06487	0.8
105.03390	0.7
105.06998	0.5
121.06469	0.5
127.07520	0.7
128.06216	0.6
137.05952	4.1
138.09122	5.5
141.06978	0.9
143.08537	0.5
146.05995	0.8
152.06169	0.7
153.05457	0.9
153.06921	1.2
155.08498	1.0
165.06961	1.8
167.04900	0.7
167.08499	0.8
168.05684	1.6
169.06340	0.6
171.07951	1.0
178.07671	0.5
181.06488	1.3
183.08017	0.8
184.05147	1.3
193.06493	1.3
195.04390	0.8
196.05182	1.5
197.05942	1.1
199.07338	1.0
203.50743	0.4
208.05267	0.4
209.05937	1.7
210.06648	0.6
211.03822	0.5
211.07527	2.2
212.04651	4.3
213.05409	2.0
213.10234	0.8
216.04141	0.7
220.05112	0.6
221.05730	0.6
223.03911	2.1
224.04803	0.5
224.07886	0.4
225.08868	0.6
226.06186	1.1
227.03360	5.0
227.06946	3.9
236.04617	1.3
237.05402	1.8
238.05968	0.9
239.07022	3.4
240.04126	1.5
240.07800	0.7
241.04997	2.6
241.09558	0.8
243.06480	1.3
243.10150	0.7
244.08443	0.6
251.07031	1.0
252.07742	1.6
253.08586	2.0
254.05695	4.9
255.06480	56.1
256.06897	3.4
257.08109	0.6
259.10739	1.2
267.06454	1.9
269.08002	0.9
269.12842	1.1
272.09195	0.6
273.13470	0.5
279.06339	0.7
285.07434	0.7
297.07428	1.4
299.09082	5.1
302.17407	3.6
311.05637	0.7
311.08984	4.4
314.07764	17.4
314.13220	0.7
315.08096	1.2
315.13321	3.5
317.10056	0.9
328.11786	0.9
329.10129	100.0
330.10464	6.8
343.57535	0.6
346.12823	2.6
346.20023	3.2
346.25583	0.9
347.12357	0.5
347.15976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2056
Annotation	Hyperguinone B
Peak:m/z	Relative Intensity
53.03937	3.0
55.05494	11.2
57.07069	6.4
62.23381	2.1
67.05494	13.1
69.07058	27.4
70.06592	6.6
70.91599	5.9
71.04971	3.4
71.08640	4.1
79.05480	27.8
81.07049	19.4
83.08596	4.6
85.06542	4.4
87.04456	6.1
88.07624	6.3
91.05462	16.8
93.07024	27.4
93.61530	2.5
95.04977	9.3
95.08593	24.5
96.08933	3.3
97.10159	9.2
102.09202	4.3
102.94778	2.5
102.99660	2.5
103.05460	5.5
105.03388	7.1
105.06998	18.3
106.07341	3.5
107.04941	26.3
107.08595	20.7
109.06510	4.2
109.10139	24.5
115.05456	7.4
116.13218	2.4
117.06987	9.2
119.08549	6.0
121.05682	4.7
121.06490	43.4
121.10128	11.3
122.03672	2.5
123.11726	5.9
124.05167	6.2
125.05978	3.4
128.06189	3.2
129.06989	10.0
131.04865	3.4
131.08534	10.7
133.06491	6.8
133.10133	3.7
135.08011	6.8
135.11682	19.3
137.05956	2.7
141.06985	6.0
143.04921	5.7
143.08565	3.5
144.05643	5.5
145.06483	10.2
145.10117	4.9
147.04335	3.1
147.08043	6.1
147.11673	3.2
149.05978	13.2
149.13237	2.7
151.07526	2.8
152.04674	3.7
155.08539	3.8
156.05733	3.0
157.06502	11.4
158.07240	4.5
159.08078	20.9
160.05145	5.4
161.05940	15.5
163.07568	2.7
167.07010	75.8
169.10057	3.0
171.04382	2.6
171.08061	5.7
173.05951	11.2
173.13210	3.7
175.07492	24.9
177.05475	45.5
178.06258	30.7
179.08612	3.3
181.08592	7.2
183.08009	4.6
185.09625	5.3
187.07507	33.2
189.09088	7.4
189.70087	2.7
191.07091	6.8
191.14343	4.7
192.07809	6.4
193.08563	38.8
196.08862	3.1
197.09499	3.4
197.15320	12.2
199.07640	3.5
201.09088	9.4
203.07010	19.4
204.07726	5.1
205.08597	21.4
206.09111	3.4
207.10141	20.2
208.76569	2.7
209.08029	18.0
211.07553	3.8
211.11206	3.0
213.09169	4.2
215.10567	6.9
217.08575	21.9
218.09358	7.2
219.10152	49.2
221.07901	2.9
221.11722	8.1
223.09633	8.2
225.09102	3.2
227.10545	2.9
231.10153	16.7
233.11690	9.3
235.09616	100.0
239.10654	4.6
239.16394	3.3
243.10083	4.1
245.11696	8.2
247.13077	2.9
249.11224	9.3
259.13324	5.0
261.11255	17.4
269.15320	7.2
271.13281	13.4
271.16809	5.1
275.12601	2.7
281.17459	7.4
284.29425	15.3
286.15686	3.7
288.17191	6.0
289.14362	7.0
295.16830	12.9
301.17822	5.5
327.19528	70.0
345.09521	4.3
345.20276	53.5
345.31912	7.8
346.20203	4.3
346.33109	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	345.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
54.74896	0.9
55.01866	8.7
55.05503	9.9
56.96548	1.3
57.03426	2.5
57.07064	35.7
61.02917	2.3
62.86457	1.1
64.98969	0.9
67.05495	17.8
68.99767	3.5
69.03422	2.5
69.07054	17.4
69.38453	0.9
70.06590	2.3
70.44180	1.2
70.44518	4.4
71.01340	25.8
71.04979	2.3
71.08619	33.8
71.69714	0.8
71.70161	1.0
79.05483	5.8
81.03401	4.5
81.07043	30.9
83.01324	1.5
83.04987	2.8
83.08612	4.9
85.02900	8.0
85.06523	2.2
85.10168	15.5
89.02388	1.0
91.05466	5.4
93.07014	5.8
95.04969	5.2
95.08590	29.9
97.02890	1.2
97.06530	1.2
97.10152	2.0
99.04421	7.1
105.03371	1.5
105.07005	4.4
107.04935	1.4
107.08576	4.4
109.02885	4.3
109.06502	2.7
109.10159	5.7
111.04431	2.7
111.11720	1.0
113.02380	1.5
113.06001	7.5
113.55087	1.0
117.06942	1.4
119.08565	4.4
120.08089	1.9
121.02811	1.1
121.10143	2.4
123.04397	6.7
123.08037	1.6
123.11658	1.4
125.02335	3.9
125.05926	1.1
126.03125	1.4
127.03912	8.8
127.07526	3.7
131.08557	2.0
133.10112	3.6
135.08069	1.2
135.11681	2.0
136.90910	1.0
137.05956	13.1
137.13232	4.5
139.03857	1.5
141.66705	0.9
145.10286	1.2
147.08029	1.4
148.47844	1.0
151.03850	1.4
153.05525	1.4
155.14281	38.8
156.14590	2.4
158.91333	1.1
161.06024	1.1
161.09610	1.6
175.03888	1.6
175.14752	1.3
185.13025	1.0
187.03891	1.5
189.16331	1.3
191.14227	1.3
193.04865	2.0
197.15335	100.0
198.15723	5.2
201.05476	1.0
203.03416	4.6
207.02846	2.1
211.16777	1.4
215.03392	3.9
217.15852	1.3
223.09555	1.2
226.11203	2.0
227.11217	1.2
235.16916	4.0
237.14821	16.8
237.18449	1.4
238.15202	1.2
239.16379	48.7
240.16721	2.5
243.10150	1.3
244.12349	1.1
253.17960	4.0
263.16443	8.0
271.09570	1.0
281.04620	1.9
281.17447	43.3
282.17688	1.8
299.18713	5.7
309.16956	3.5
325.18024	2.4
327.04993	2.2
327.18024	43.0
328.18445	2.5
328.97195	1.0
345.09256	4.3
358.56680	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
55.01858	0.4
55.05494	0.4
58.06590	3.0
58.59312	0.2
59.06905	0.3
59.16527	0.2
60.04510	0.4
65.03922	0.4
65.39304	0.2
67.05479	0.5
69.03408	0.7
69.07043	0.8
70.06584	2.7
71.81504	0.4
76.02209	0.5
79.05492	1.1
81.03400	0.4
81.07053	1.1
83.04949	0.4
84.04461	0.2
85.02866	0.5
86.09216	0.4
86.09686	3.4
87.10040	0.3
91.05463	1.8
93.03419	0.3
93.07026	0.4
94.04171	2.4
95.04967	0.6
95.08571	0.3
103.05431	0.6
105.03376	0.4
105.07034	0.4
106.00256	0.2
106.77021	0.2
107.04923	0.9
107.08577	0.5
109.06460	1.2
109.10164	0.3
111.04407	0.7
114.05519	1.5
114.09151	0.3
115.05411	1.6
116.05804	0.3
116.07078	1.0
119.04935	0.4
119.08555	0.6
121.02846	0.4
121.06512	1.2
122.02718	0.8
122.03616	7.4
123.04389	0.3
123.08038	0.4
123.11668	0.3
125.06010	0.3
125.09692	0.3
131.04898	1.4
133.02887	0.6
135.04408	0.4
137.05954	100.0
138.06293	3.2
143.04893	1.8
144.05199	0.3
147.04401	0.6
147.08051	0.3
148.05130	0.4
148.46956	0.2
149.05966	1.3
151.03897	0.6
151.07535	0.8
153.05447	0.2
153.06953	0.3
159.04375	0.8
160.05170	0.6
161.05951	3.1
161.07201	0.4
163.07489	0.8
165.05713	0.3
165.07005	1.8
165.09142	0.5
167.07025	0.4
172.05112	0.2
175.07526	2.9
176.04707	0.5
176.07864	0.5
177.05431	0.5
177.06931	0.3
177.09161	0.3
178.07729	0.7
179.08569	1.5
181.06422	0.5
182.07286	0.8
183.13770	0.4
189.07050	0.4
190.06186	0.3
191.06999	4.0
191.08630	0.4
193.06491	1.1
193.10703	0.3
194.07246	0.8
195.08025	0.6
196.08832	0.3
197.05959	0.5
203.06949	1.5
205.06444	1.0
205.08459	0.4
206.07249	0.8
207.08054	1.7
208.08649	0.4
210.06711	1.5
211.07460	0.8
213.09175	0.3
213.33600	0.2
221.05960	2.2
221.07910	0.4
222.06706	0.7
223.07573	1.2
223.09447	0.3
224.08308	0.9
225.05487	0.4
225.09052	2.1
227.07025	0.5
233.05963	0.8
234.06752	1.7
235.07462	1.3
235.65875	0.2
236.07890	0.4
237.09027	1.9
238.06161	1.0
239.06921	0.4
239.10561	1.2
241.08521	0.5
243.06589	0.4
249.09088	1.6
250.06229	0.4
251.06943	0.8
252.07828	1.0
253.08545	3.6
254.09087	0.3
255.06433	0.6
255.10127	0.3
262.06287	0.4
263.06891	0.4
265.08545	3.0
266.09232	0.7
267.10104	3.4
269.08075	0.5
270.08786	0.7
273.11456	0.3
277.08582	2.1
278.08994	0.6
281.07941	0.3
282.08759	0.4
284.10593	0.3
285.11194	3.5
294.08792	2.2
295.09625	1.0
296.09702	0.4
297.11157	2.5
299.12909	0.4
300.13092	0.5
309.11191	4.2
310.11697	0.3
313.10651	0.5
315.12515	0.3
327.12103	1.5
329.10153	0.3
345.07306	0.9
345.13217	2.0
345.18781	4.3
346.08569	0.3
346.12894	0.8
346.19550	0.5
347.46124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0962
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
57.13786	0.2
68.99751	0.2
70.17645	0.4
70.18040	0.6
79.05472	0.2
81.07005	0.2
96.62428	0.2
98.21426	0.2
98.81587	0.2
102.20976	0.2
107.04888	0.5
109.02824	0.2
111.00743	0.3
114.34205	0.2
123.04409	0.2
124.01542	0.3
124.05106	0.2
135.04417	1.1
137.02252	0.3
137.05962	2.2
139.00166	0.3
145.02814	0.2
147.04327	0.5
148.05122	0.6
149.05875	0.6
150.05602	0.3
150.06735	3.7
151.00229	0.3
151.03798	0.7
152.00955	0.4
153.01834	1.5
157.06389	0.3
163.03790	0.3
165.01765	0.3
166.99661	0.3
170.01933	0.2
175.03917	0.3
179.03290	0.3
181.01303	2.6
185.06006	0.4
191.03378	0.2
193.01254	0.7
197.00699	0.5
197.04372	0.2
197.06042	0.3
198.01505	0.5
213.05391	0.8
215.03392	0.2
217.04892	0.4
219.02841	0.2
223.09511	0.2
225.05380	0.3
229.05026	0.4
231.06447	0.4
241.04868	1.2
243.02878	0.4
245.04506	0.2
253.04947	1.4
254.05423	0.2
257.04266	0.3
258.05240	1.3
259.05969	1.1
269.04410	1.4
270.05096	0.4
271.05914	0.2
281.04440	3.1
284.06772	0.9
285.03873	1.3
285.06995	0.3
286.04666	7.8
287.05450	3.7
297.03754	0.4
298.04718	1.8
299.05347	1.3
300.06216	1.1
301.03485	0.9
301.06982	14.3
302.07693	2.5
309.03836	0.7
311.05444	0.2
312.06262	1.0
313.07019	4.2
314.04156	5.6
314.07532	0.2
315.04861	2.2
316.05698	2.2
327.04971	5.0
328.05185	0.3
329.06494	21.8
330.07263	32.3
331.07608	1.3
338.38770	0.2
345.09622	100.0
346.09964	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	344.2217
Annotation	Polysignine
Peak:m/z	Relative Intensity
57.07065	0.7
67.05480	0.9
68.99773	2.1
69.03413	0.6
69.07034	0.6
71.07478	0.8
71.07848	0.9
71.08613	0.7
81.07058	0.9
85.02883	0.4
87.33743	0.5
95.04964	0.6
95.08599	0.7
105.07047	0.5
107.04891	0.5
107.08616	0.5
109.10144	0.4
111.00782	1.7
112.52537	0.4
116.25337	0.4
121.02814	0.8
144.20203	0.4
147.04370	1.1
153.01814	4.2
154.02182	0.5
163.03847	1.8
169.06490	0.4
170.05931	0.5
173.02206	0.8
173.05998	0.4
175.03886	0.8
178.35698	0.4
183.04385	0.5
183.07965	0.4
183.17450	0.9
185.05844	0.5
187.03888	1.3
191.03314	1.1
197.05971	1.2
199.03864	3.4
200.07045	0.7
201.05571	2.2
202.04958	1.3
205.08748	0.5
213.05486	2.4
214.06145	4.1
215.03456	0.9
216.06496	8.1
217.05032	0.9
217.07321	1.1
218.08199	0.4
219.02873	0.9
225.05423	1.4
226.21591	0.6
229.05025	0.6
230.08070	5.6
231.06535	0.9
231.08850	15.1
232.09236	1.2
243.02779	2.2
244.09615	1.1
253.04921	7.4
271.05878	0.5
281.04398	17.4
282.05389	0.4
285.03912	3.8
298.04568	4.0
298.07663	0.5
299.05521	4.7
309.03827	2.8
312.19516	1.6
314.17450	2.4
327.04935	24.6
327.19437	4.4
328.19418	0.6
329.06522	0.7
329.19855	1.2
330.07346	1.0
344.04752	1.7
344.08707	7.6
344.22156	100.0
345.06247	2.6
345.09592	3.2
345.22678	6.0
356.08862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1852
Annotation	Norlaudanosine
Peak:m/z	Relative Intensity
56.05027	0.4
58.06591	75.2
70.06578	0.5
70.27331	2.0
81.03428	0.6
85.02901	1.3
86.09695	0.6
91.05491	1.5
95.04959	1.1
107.04942	3.3
109.06508	0.5
115.05441	3.4
117.07027	0.8
119.04942	1.4
122.03656	0.8
123.04498	0.7
125.06013	0.5
137.05957	26.9
138.06253	0.6
138.22917	0.3
143.04898	14.3
145.06496	1.0
145.10158	0.5
146.10529	0.4
147.04427	0.5
149.05994	0.9
151.07521	6.6
160.05186	1.6
163.11162	1.4
164.11540	2.3
165.09123	1.3
174.09142	0.8
175.07524	14.0
177.09084	1.2
179.08574	1.2
181.06557	0.4
192.10167	3.5
193.11015	2.0
206.11684	0.4
207.08000	1.8
209.09637	0.6
211.07686	0.4
235.07521	1.1
239.10626	1.7
241.08823	0.4
241.12018	0.9
252.07768	0.7
263.06967	0.5
267.10138	2.6
269.11728	1.5
280.07242	0.7
284.10181	0.6
295.09622	1.2
299.12714	8.0
301.14340	3.2
312.15799	0.8
327.12119	0.8
344.18509	100.0
345.18832	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	1.0
57.03418	1.4
58.06588	53.0
60.04219	0.7
60.04512	12.3
61.02924	1.1
65.03888	0.7
67.05489	1.4
69.03405	1.3
69.07082	0.9
70.06575	2.2
71.04998	0.6
71.79807	0.9
72.08140	1.3
72.73864	0.6
74.06034	0.8
79.05476	1.6
81.03387	1.1
81.07035	0.8
85.02888	5.6
86.09693	2.0
89.06013	7.4
91.05463	8.7
93.07039	1.1
94.94418	0.7
95.04923	1.7
95.08620	0.8
97.02882	1.8
105.06998	1.7
107.04961	0.8
109.06483	0.9
115.05433	2.6
117.06970	1.4
119.04920	21.3
119.08546	1.0
120.05246	0.7
121.06534	0.8
122.03614	1.2
123.04403	1.4
123.08118	0.7
127.03903	0.7
131.04860	0.7
133.07701	0.6
133.08562	4.0
136.07571	0.8
137.02328	0.9
137.05952	23.3
137.09669	0.7
143.04889	10.1
143.08517	0.8
144.41521	0.7
145.04810	0.9
145.06474	1.1
147.04379	100.0
148.04689	2.9
149.05971	1.4
151.07498	5.0
153.00075	0.8
160.05049	0.9
165.05447	55.5
166.05847	1.6
175.07513	10.0
177.09113	1.8
177.11182	1.4
179.08630	0.9
180.08598	1.1
181.06471	0.7
182.02664	1.7
187.07379	0.7
189.02054	0.7
192.10161	3.8
193.10999	0.8
207.08037	1.7
211.07448	1.0
220.05171	1.3
235.07538	3.1
238.04948	1.1
239.10570	1.3
241.08287	0.8
241.11986	0.9
255.06453	0.8
263.07007	8.6
264.07098	1.0
267.10324	1.6
269.08148	1.2
269.11499	0.9
280.09695	2.8
295.09521	4.4
298.10739	1.8
299.12924	4.7
301.10870	1.3
301.14349	3.1
308.22125	0.9
312.12140	1.1
326.10297	0.8
326.13354	3.4
326.23166	8.6
327.20068	3.2
344.11374	2.0
344.14850	10.0
344.18509	76.4
344.24100	5.7
345.06039	6.4
345.15161	0.8
345.18680	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	344.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
61.02908	1.2
62.67012	0.5
69.03418	3.6
69.38011	0.3
69.46061	1.5
69.46484	2.9
71.04971	0.6
71.56837	0.4
76.57928	0.4
77.14550	0.4
81.03408	0.9
85.02894	15.5
86.03232	0.6
91.03952	0.4
91.05461	3.4
97.02882	3.3
109.02878	1.5
115.57295	0.4
119.04922	15.3
120.05270	0.6
123.04407	1.6
127.03898	2.5
143.67909	0.4
145.04939	4.0
147.04382	100.0
148.04710	3.9
165.05452	62.2
166.05807	2.7
180.08714	1.9
182.08072	1.1
182.17834	0.4
309.09537	1.3
344.13364	1.3
364.72479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20053	0.5
55.01862	0.5
55.36967	0.4
57.03429	0.9
61.02903	2.1
64.82997	0.5
65.03941	0.5
69.03414	4.1
70.06563	0.7
71.04621	1.3
71.04969	0.7
71.41472	0.4
73.02872	0.5
73.27717	0.4
81.03404	1.3
85.02892	16.9
86.09700	0.6
91.03932	0.8
91.05466	3.8
97.02863	3.9
99.04411	1.1
109.02859	1.1
119.04922	17.0
123.04400	2.0
127.03898	1.9
145.04938	4.2
147.04382	100.0
148.04732	3.6
163.03870	0.6
165.05452	56.5
166.05779	1.9
180.08659	2.4
182.08099	1.0
182.11600	0.5
288.14279	0.5
309.09741	0.7
326.13916	1.0
344.14511	1.2
344.18558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.05498	0.8
57.07064	8.2
58.06587	2.0
58.70303	0.1
67.05492	1.3
69.07037	0.5
69.53343	1.3
71.08232	0.2
71.08617	4.7
75.68002	0.1
79.05466	0.2
81.07048	1.8
83.08604	1.6
85.06522	0.2
85.10169	3.1
87.95188	0.1
95.07987	0.2
95.08596	4.4
97.10145	0.5
98.21392	0.3
99.11717	0.2
109.10141	3.0
123.11706	0.8
132.08080	0.1
144.08060	0.4
165.16322	0.3
167.79471	0.1
168.08104	0.2
175.03918	0.1
183.17418	3.8
205.08618	0.2
221.07889	0.1
223.09599	0.2
240.23178	100.0
241.23515	5.3
287.37897	0.1
297.04016	0.2
326.21085	0.5
343.04538	1.0
343.11679	0.3
343.18930	0.3
343.29480	1.3
344.22266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03931	2.9
55.01855	4.1
55.05499	12.7
57.03424	8.1
57.07069	8.2
59.04984	4.4
65.03917	1.4
67.05494	21.1
69.03419	10.0
69.07059	7.5
70.29232	5.4
71.01360	1.0
71.04979	14.5
71.08616	1.1
79.05488	15.7
79.42456	1.0
81.03410	1.9
81.07043	23.4
83.04959	4.8
85.02861	1.6
85.06527	3.4
85.10128	1.4
90.58694	1.0
91.05461	25.2
91.49228	1.1
93.07030	51.4
94.07342	1.7
95.04952	42.9
95.08592	60.2
96.08931	2.0
97.06509	11.6
103.05465	2.1
105.07018	63.5
107.04966	3.1
107.08572	43.3
108.05714	1.3
109.06503	14.2
109.10133	4.9
115.05423	3.8
117.06998	22.2
119.04951	1.2
119.06046	1.3
119.08562	20.8
121.06496	12.9
121.10136	13.5
122.07302	1.2
123.04426	1.7
123.08053	18.9
123.11677	2.0
128.06186	2.6
129.06989	5.1
130.07770	10.3
131.08563	8.0
131.80923	1.0
133.06461	3.7
133.10098	11.9
135.08032	20.9
135.11691	11.8
137.05969	2.4
137.09586	4.8
141.06958	1.6
142.07741	3.8
143.08554	7.8
144.09183	1.2
145.06422	2.1
145.10101	60.2
146.10426	2.0
147.08011	11.6
147.11700	3.7
149.09634	5.5
149.13298	1.2
151.07518	34.3
153.09087	1.9
155.08498	2.8
155.23959	1.1
156.09369	1.5
157.10083	7.9
158.07198	1.4
158.10686	1.1
159.08022	3.0
159.11674	4.0
161.09612	7.7
161.13347	2.5
163.07494	1.9
163.11168	49.7
164.11517	1.9
164.26236	1.1
165.09081	13.4
165.51102	1.2
167.07106	1.3
169.10130	2.9
171.11678	3.7
173.09598	5.4
173.13246	3.0
175.11142	3.8
177.09091	4.3
179.07013	3.3
179.10605	1.6
181.10086	2.1
181.12245	2.6
183.11673	1.5
185.09578	2.5
185.13249	2.3
187.11124	4.6
189.09064	1.7
189.12747	8.5
191.03325	5.9
191.10703	1.9
191.14256	1.9
195.11705	1.6
197.13257	2.6
201.12601	1.7
203.14262	6.8
205.08597	2.3
207.10117	2.6
207.13829	4.2
209.13232	1.9
209.15372	2.3
215.14229	1.9
217.12390	2.0
221.13235	1.9
221.15331	25.3
223.09634	3.7
223.14925	1.5
225.12787	2.0
233.15390	2.4
240.23207	2.8
241.15944	1.8
243.13680	1.7
245.15387	1.3
263.16302	8.4
265.19672	1.3
269.15350	2.5
269.18527	1.2
286.19202	4.7
287.16452	2.2
287.19907	2.5
307.20477	2.0
325.18094	1.5
325.21524	8.9
326.18167	1.4
343.08182	2.4
343.18906	8.9
343.22629	100.0
344.22815	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.02351	1.3
53.03931	3.2
55.01855	3.6
55.05504	13.0
57.03425	6.7
57.07063	9.5
57.46093	1.4
59.04980	4.2
61.96993	1.3
65.03924	1.5
67.05499	22.3
69.03413	7.7
69.07079	6.5
69.07367	1.2
71.04978	15.1
71.08574	1.5
71.70231	2.0
71.70580	1.8
72.39722	1.3
77.03901	1.3
79.05484	20.1
81.03413	2.7
81.07043	23.5
83.04956	6.2
83.08606	5.0
85.06520	2.4
85.10188	1.4
88.33728	1.3
91.05463	29.7
93.07030	48.2
95.04949	43.9
95.08592	64.5
96.08897	1.3
97.06517	14.5
100.27446	1.4
103.05447	2.9
105.07018	55.5
106.07301	1.4
107.04923	3.7
107.08581	42.0
109.06510	13.0
109.10118	4.2
111.04469	1.3
115.05434	5.3
117.07000	23.9
117.70035	1.1
119.08568	24.1
120.26734	1.2
121.02885	2.0
121.06483	11.5
121.10133	11.9
122.07250	2.0
123.08052	23.0
123.11652	1.5
125.05963	1.7
125.09602	1.6
128.06213	2.3
129.06999	6.0
130.07776	11.7
131.08574	8.2
133.06490	4.5
133.10110	12.4
135.08022	21.1
135.11671	13.2
137.05978	3.5
137.09592	4.5
142.07777	3.7
143.08568	11.1
145.08949	3.1
145.10103	60.3
146.10490	2.5
147.08018	9.7
147.11678	5.5
149.09558	6.5
151.07521	34.7
153.09047	2.0
155.08485	1.6
155.10629	2.5
156.09300	1.8
157.10097	8.0
159.08031	4.3
159.11682	6.8
161.09601	7.6
161.13243	3.5
163.07510	3.4
163.11165	48.4
165.09105	13.3
166.07886	1.5
169.10135	2.0
171.11691	4.5
173.09570	3.2
173.13235	3.5
175.11194	4.0
177.09103	4.9
179.07005	3.2
179.10544	1.4
181.10107	1.5
181.12210	3.8
183.11711	3.6
185.09659	1.6
185.13261	3.8
187.03928	2.2
187.11171	6.1
187.14722	1.6
188.04285	1.8
189.12657	9.2
191.03407	1.9
191.10828	1.5
191.14307	4.3
195.11664	2.5
197.13182	3.6
199.11209	2.7
200.04657	1.7
201.05135	1.4
201.12793	2.4
202.05354	2.7
203.14310	6.2
205.08568	4.0
207.10098	1.9
207.13795	5.5
209.13232	3.8
209.15395	5.5
213.12852	1.6
215.03423	2.0
215.14253	2.7
221.15320	21.8
222.15656	2.2
223.09627	2.5
223.14780	2.7
225.12617	2.4
225.16415	1.5
227.14323	2.0
233.15352	3.4
240.23245	4.4
243.13737	2.7
245.15419	1.4
263.16431	4.9
267.17560	1.5
274.19150	1.9
283.20544	1.9
286.19208	2.6
287.16354	2.6
287.19702	1.7
297.22357	1.6
307.20547	2.7
315.18536	17.9
325.18005	2.5
325.21448	10.6
343.04544	4.9
343.18927	10.7
343.22668	100.0
343.26477	7.0
344.09143	1.4
344.23016	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	343.2262
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03930	3.1
55.01862	4.5
55.05509	11.9
57.03423	5.8
57.07059	5.4
57.29276	1.5
59.04982	3.5
65.03924	1.7
66.75761	1.4
67.05487	18.8
69.03434	7.3
69.07047	5.2
70.40865	7.5
71.04979	16.2
74.85834	1.3
75.65141	1.3
77.03908	2.0
79.05486	14.2
81.07042	16.1
83.04967	3.0
85.06535	2.4
91.05458	19.1
93.07030	45.8
95.04461	1.0
95.04951	39.1
95.08592	57.6
97.06509	11.4
101.07081	1.5
105.07014	50.4
107.04912	2.9
107.08574	35.1
109.06512	11.2
109.10176	3.5
115.05469	4.1
117.06246	2.2
117.07008	23.7
119.08575	17.5
121.06493	11.3
121.10121	11.1
122.07263	2.0
123.08055	15.3
125.05972	3.4
126.71247	1.5
128.06184	2.0
129.06973	3.8
130.07776	8.5
131.08568	7.2
133.06441	5.4
133.10132	13.7
135.08043	19.1
135.11665	12.4
137.05948	1.3
137.09552	3.1
142.07745	3.1
143.08534	8.8
145.06511	1.9
145.10103	54.6
147.08028	8.1
147.11664	3.0
149.09561	4.7
151.07506	27.9
152.07832	1.7
153.09064	3.9
156.09410	1.8
157.10129	4.6
159.07971	2.1
159.11694	7.4
161.09604	6.7
161.13239	4.0
163.11169	45.3
164.11534	2.2
165.09131	14.1
169.10127	3.4
171.11618	2.7
173.09595	2.4
173.13258	2.7
175.11192	3.4
177.09038	4.2
178.14317	1.5
179.07056	3.1
181.12149	3.3
182.10852	1.6
183.11696	2.4
185.13277	2.3
187.11194	4.9
189.12717	7.6
191.10701	2.2
191.14352	2.4
195.11551	1.6
197.13246	3.0
201.12726	1.8
203.14285	6.6
207.11980	1.9
207.13809	5.4
209.13391	2.7
209.15341	4.0
215.14255	2.8
217.12286	1.6
221.15321	27.3
227.14227	2.7
231.13562	1.8
233.15421	1.5
243.13725	2.0
263.16324	6.7
269.15469	3.7
274.19376	1.6
286.19217	1.9
287.16693	1.9
287.19955	1.5
307.20657	1.4
315.18692	1.7
325.18103	2.4
325.21426	9.2
343.19135	4.1
343.22653	100.0
344.22888	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	343.2261
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.16591	1.1
53.03928	2.5
55.01855	3.6
55.05503	8.4
57.03430	6.0
57.07066	7.4
58.07405	1.2
59.04975	2.6
67.05492	14.8
68.48275	1.1
68.68451	1.1
69.03414	5.1
69.07048	4.3
70.20649	4.9
71.04977	9.3
71.08606	3.0
79.05486	12.5
81.03400	2.3
81.07036	18.1
81.37683	1.0
82.06557	1.4
82.07344	1.4
83.04960	3.1
83.08591	3.7
84.04475	4.3
85.02898	1.9
85.06525	1.9
85.10149	1.3
91.05470	14.8
91.36997	1.1
93.07027	36.9
95.04386	1.7
95.04951	26.4
95.05560	1.4
95.08592	42.3
96.08909	1.2
97.06516	9.7
103.05479	1.3
105.03362	1.4
105.07016	38.6
107.04940	1.6
107.08572	29.9
109.06490	7.0
109.10120	3.1
110.05990	1.2
115.05402	2.5
117.06988	14.7
118.07262	1.4
119.05982	1.0
119.08568	15.0
121.06485	9.2
121.10134	10.5
123.08054	14.9
125.05966	1.3
128.06195	2.7
128.07072	1.4
129.06989	2.1
130.07753	8.1
131.08517	4.1
133.06461	3.1
133.10097	9.5
135.08035	12.9
135.11641	9.3
137.05922	2.0
137.09598	3.0
142.07768	2.1
143.08543	6.0
145.10104	40.9
147.08008	7.7
147.11679	3.6
149.09599	4.5
151.07521	24.6
153.09081	1.9
155.08475	1.3
156.06528	2.7
156.09380	1.5
157.10106	4.9
159.07985	1.9
159.11652	4.2
161.09583	3.7
161.13135	1.6
163.11166	31.2
165.09081	9.1
169.10071	1.5
170.10831	1.7
171.11667	1.6
173.09512	1.8
173.13196	2.6
175.11099	1.9
177.09084	2.7
181.10159	1.8
181.12193	3.5
182.10890	1.1
183.11655	1.8
185.09625	1.2
185.13220	1.6
187.11143	1.8
187.14804	1.5
188.04068	1.2
189.12732	5.7
191.14247	2.2
197.11667	1.9
201.05122	1.4
201.12682	2.4
202.05334	1.5
203.14279	4.6
207.11896	1.2
207.13762	4.1
209.13330	1.6
209.15240	1.7
213.20366	2.1
221.15309	18.3
225.16426	1.1
230.05629	1.4
233.15384	2.9
240.23253	1.4
241.15945	1.8
243.13770	1.4
245.15265	1.5
263.16443	4.4
269.15317	2.3
274.19241	1.9
286.19293	1.9
287.16464	2.6
287.19727	2.0
307.20590	1.4
313.17880	1.2
315.18579	9.2
325.21524	8.6
326.86661	1.0
343.18903	6.1
343.22720	100.0
344.23099	5.7
348.12549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
53.77711	1.2
55.01863	17.1
55.05505	16.8
57.03414	2.9
57.07069	24.4
61.02922	1.8
65.03922	1.9
67.01870	1.2
67.05498	18.2
68.19023	1.3
69.03410	4.2
69.07060	38.6
70.07386	1.5
70.18162	5.3
71.01337	14.3
71.04971	1.4
71.08621	25.9
71.96956	1.2
72.26522	1.3
79.05490	12.2
81.03426	7.7
81.07037	23.6
83.01334	19.7
83.04967	3.9
83.08604	11.4
84.04463	1.5
85.02883	5.7
85.06532	1.4
85.10168	8.9
88.03977	2.9
91.05468	7.1
93.03381	2.9
93.07037	13.2
95.01284	1.4
95.04936	6.4
95.08589	20.2
96.08801	1.3
97.02884	11.4
97.06516	8.6
99.00780	2.0
99.04436	2.2
105.07016	5.5
107.04949	4.6
107.08575	11.6
109.02859	10.1
109.06491	2.4
109.10141	4.5
111.00784	9.5
111.04417	9.1
111.08070	3.0
113.02371	3.2
115.03856	1.4
115.05420	1.3
117.07018	2.0
119.08502	1.6
121.06480	1.7
121.10110	2.4
123.04385	3.4
124.03946	1.5
125.02338	17.6
127.03893	10.5
131.08531	2.8
133.10094	1.6
135.04352	3.2
135.07986	1.8
135.11673	16.2
137.02327	7.2
137.05975	1.4
137.13263	7.9
139.00276	1.7
139.03870	4.9
143.03377	26.5
143.08502	1.4
149.13290	1.8
151.03912	2.3
153.01819	6.3
153.05493	2.1
153.12720	19.7
154.99789	1.6
155.03358	14.9
155.14288	14.2
157.04887	1.6
159.15964	1.4
163.03868	1.7
164.11714	1.2
165.05432	2.3
167.03381	3.2
170.04347	1.6
171.02893	3.1
173.04431	100.0
173.13185	1.6
181.01384	1.5
181.04990	1.8
183.04730	1.5
189.05408	1.4
189.12793	1.6
191.03362	1.4
191.14325	2.1
199.02368	2.8
199.05989	3.8
207.13789	1.9
209.15277	2.5
211.09572	2.5
219.13759	3.4
223.09618	3.0
225.14786	15.7
237.14767	2.6
239.16359	2.0
240.23183	4.3
249.14827	1.9
251.16342	3.8
255.15817	7.3
261.14841	1.8
265.14227	1.8
267.15839	4.7
269.17459	1.9
279.15851	8.5
281.13776	3.4
295.15417	5.0
297.16891	37.9
298.17303	1.4
307.15430	5.4
315.17868	2.9
325.16296	45.6
343.04489	3.0
343.17911	29.3
343.26297	10.4
344.08789	1.7
352.70380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92854	1.5
53.03947	3.8
55.01854	3.7
55.05487	1.5
57.03426	9.8
57.07063	1.9
58.06593	39.3
58.11843	1.3
59.06933	1.3
61.02914	12.7
67.05470	1.4
69.03419	32.7
69.48071	5.3
69.48496	8.7
71.04971	5.3
73.02915	3.6
77.37607	1.2
79.05489	4.8
81.03405	15.4
81.07020	9.5
81.07423	1.3
83.01343	1.4
83.04975	6.4
85.02892	89.2
85.06524	2.8
87.04476	3.8
89.42335	1.1
91.03931	6.8
91.05467	5.0
93.07034	12.8
95.04955	30.7
95.08575	8.2
96.77261	1.2
97.02879	30.9
97.06466	3.2
98.21458	3.2
99.04421	7.8
103.03843	1.6
105.06995	11.1
107.08581	12.8
109.02849	10.6
109.06506	26.8
109.10107	1.9
115.05412	2.1
117.07017	4.0
119.08574	6.3
121.06528	7.7
121.10120	16.3
123.08051	2.9
125.05952	10.2
127.03904	21.4
130.07791	3.8
135.11653	13.2
137.05942	18.1
137.09590	2.3
137.13257	4.3
143.04909	5.2
145.04938	25.8
145.10114	18.5
147.07956	1.4
147.11665	9.4
151.07549	2.1
159.59189	1.2
161.06000	1.3
161.09683	1.3
163.11159	100.0
164.11473	3.2
165.12735	17.5
175.07497	9.3
175.11066	2.4
177.12825	1.6
181.12204	82.7
182.12547	1.6
192.10365	2.1
205.12181	4.2
223.13281	6.2
224.01483	1.3
228.22966	1.3
258.08899	1.4
266.08884	4.3
283.09274	2.5
284.10370	1.3
295.09543	1.8
298.11505	9.3
299.12524	1.8
301.14197	1.8
343.04398	2.0
343.17316	31.5
344.18494	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01865	1.7
55.05485	1.5
56.05037	0.4
57.03426	2.8
57.07065	1.2
58.06586	7.5
59.04985	0.5
61.02911	3.1
65.03940	0.4
67.05482	1.1
69.03419	13.5
69.07041	1.1
70.06574	0.5
70.33571	0.8
70.33965	0.8
71.01308	0.4
71.04983	2.5
73.02906	2.4
79.05481	3.1
81.03403	5.0
81.07040	8.5
83.01285	0.5
83.04971	6.1
85.02892	29.7
85.06520	0.4
86.09680	0.4
87.04445	1.6
91.03945	1.7
91.05466	4.0
93.07030	9.4
95.04951	16.9
95.08588	1.3
96.05273	0.4
97.02876	8.3
97.06503	2.7
99.04459	1.7
103.03904	1.4
105.07014	7.5
107.04955	2.2
107.07895	0.7
107.08578	10.2
109.02860	2.7
109.06500	2.5
109.10159	0.5
111.04408	0.5
111.08064	0.7
115.05422	0.8
117.06998	2.9
119.04911	0.5
119.08566	4.5
121.06494	4.0
121.10122	11.2
123.04357	0.5
123.08041	1.1
125.05972	11.3
127.03890	6.9
128.06194	0.4
130.07770	3.2
131.08511	0.5
133.06454	0.8
133.10098	1.6
135.08041	0.9
135.11668	6.9
137.05963	3.8
139.03920	0.5
143.04897	1.7
143.08524	1.2
145.04936	7.6
145.10097	18.5
147.08038	1.5
147.11668	0.5
148.08884	0.8
149.05965	0.7
151.07541	1.1
161.09581	1.4
163.11154	100.0
164.11525	3.8
165.09093	1.5
165.12738	0.7
167.06972	0.8
173.04507	0.5
175.07559	2.1
175.11108	1.2
181.12206	16.5
182.12648	0.5
183.10126	1.3
189.02272	0.4
191.03453	0.6
191.07001	0.4
193.12285	0.5
205.12206	1.3
211.09586	0.7
217.12222	0.4
223.13295	2.5
229.10526	0.5
235.07588	0.3
248.50677	0.4
263.07037	2.0
267.09863	0.4
268.07047	0.5
283.09528	0.7
289.14276	0.4
295.09464	1.3
297.11072	0.5
299.12677	0.9
307.15408	0.9
325.10617	0.6
325.16446	0.4
326.13901	0.4
343.04538	1.0
343.13077	1.2
343.17529	3.3
344.14838	0.7
344.18515	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	343.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25919	0.6
55.01852	0.7
57.07050	0.6
57.11400	0.6
58.06588	3.8
65.03925	1.5
67.05482	0.6
68.99773	0.7
69.03417	0.9
69.59010	5.5
72.08133	0.7
79.05480	1.4
81.03386	0.9
81.07037	1.1
85.02857	1.4
86.09677	1.1
89.06018	1.8
89.66880	0.7
91.05466	8.3
93.07040	0.7
94.04163	3.2
95.04971	0.5
103.05437	7.2
104.06241	1.8
105.03356	0.9
105.07018	1.4
107.04925	1.6
107.07034	1.3
107.08590	0.7
109.02798	0.9
109.06510	0.7
110.37978	0.5
111.04423	4.3
112.03789	0.5
115.05448	6.9
117.07017	3.8
119.04913	1.0
119.08558	6.1
121.02844	64.3
122.03682	8.1
123.04409	1.3
128.06221	1.3
129.06993	3.6
131.04919	10.7
132.05721	5.7
135.08101	0.8
137.05952	100.0
138.06326	3.2
141.06956	1.8
143.04926	1.5
145.02820	3.5
145.06465	1.7
147.08023	9.2
151.07555	1.0
157.06442	1.4
158.07253	1.1
160.05162	5.1
161.05849	1.1
163.03880	1.2
163.05322	0.6
163.07530	14.0
163.11172	1.2
163.13261	2.7
164.07994	0.7
164.13623	4.1
169.06474	2.0
175.07515	75.6
176.07875	2.4
181.05005	3.1
186.06718	3.3
187.07530	2.5
188.08168	1.5
189.09090	1.6
191.03394	1.8
201.09042	2.6
205.10074	1.1
223.07462	0.6
226.07059	35.0
227.07419	1.7
233.09644	0.9
237.09082	0.7
251.07016	0.8
261.09036	0.8
265.08533	1.8
265.12201	0.6
269.08212	0.7
280.09671	2.6
283.05917	0.7
283.09439	0.7
284.10336	1.1
293.11490	1.0
297.07581	2.2
297.11542	1.8
298.11502	0.9
312.09525	1.0
325.14368	7.1
343.08170	2.1
343.12900	5.9
343.15918	0.8
344.14743	1.5
344.18591	2.8
349.22894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0808
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
53.03937	0.3
54.15473	0.2
55.01859	0.9
55.05497	0.2
58.06577	0.3
65.03913	0.3
67.05489	0.7
68.99779	1.2
69.03413	0.4
69.31716	0.2
70.06546	0.3
70.19405	1.1
70.19696	0.2
71.04949	0.2
72.09248	0.2
79.05478	2.3
81.03411	0.5
81.07038	0.9
85.02876	0.7
86.09706	0.3
89.03909	0.4
91.05463	2.3
93.03373	0.4
93.07046	0.6
95.04945	1.8
95.08595	0.4
105.03344	0.4
105.07013	0.7
107.04946	3.6
107.08577	0.6
108.05270	0.4
109.02823	0.3
109.10164	0.3
111.08060	0.2
115.05415	0.4
116.01673	0.2
117.03366	0.4
117.06993	0.2
119.04921	3.6
119.08546	0.3
121.02876	0.5
121.10064	0.3
123.04411	11.7
123.08086	0.2
124.04783	0.4
125.05972	0.2
127.03917	0.2
131.04918	0.7
133.06531	0.2
133.10110	0.3
135.04398	7.2
135.08087	1.1
137.02315	3.7
137.05928	1.4
142.03188	0.4
145.02844	1.1
147.04385	8.6
147.11653	0.2
148.04726	0.5
149.05893	0.4
153.01793	0.4
153.05360	0.4
160.08046	0.2
161.05942	0.5
162.02155	0.3
163.03886	8.1
163.07498	0.9
163.11156	0.7
164.04350	0.3
165.05461	2.3
170.02687	0.2
175.03860	1.2
175.07484	0.8
177.05487	0.2
177.09138	0.3
179.03369	3.5
181.04893	0.4
181.08601	0.2
181.12062	0.2
187.03841	0.7
189.05461	0.2
191.03358	100.0
192.03822	5.0
203.03363	3.2
205.04933	2.0
205.08499	0.5
207.02834	0.2
221.04404	4.7
223.07083	0.3
223.09560	0.5
226.09264	0.3
233.04379	1.3
237.08943	0.7
238.09444	1.3
241.44589	0.2
249.08643	0.5
249.11047	0.3
251.07014	0.3
253.08423	0.3
254.08946	0.9
264.07367	0.3
264.10843	0.4
265.08539	1.4
266.08896	3.7
267.10306	0.2
268.06815	0.2
280.10721	1.1
281.07962	0.5
281.11185	6.5
282.08469	3.0
283.09274	0.3
296.10385	0.4
297.03656	0.6
297.10751	4.5
308.10080	0.3
311.12643	0.7
312.13065	7.8
325.06793	0.3
343.04327	6.4
343.08032	32.5
343.16971	4.4
344.04706	0.8
344.08347	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0808
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
53.03929	0.4
55.01852	0.8
55.05496	1.4
57.03414	0.9
62.64852	0.3
63.04706	0.3
65.03934	0.5
65.37807	0.2
67.05480	1.0
68.99773	0.9
69.03412	0.5
70.06567	0.3
71.07756	0.8
77.53262	0.3
79.05473	1.9
81.03401	0.7
81.07034	1.1
83.08612	1.7
85.02884	0.8
89.03905	0.4
91.05445	2.1
93.03384	0.6
93.07018	0.9
95.01281	0.5
95.04949	1.4
95.08591	1.0
97.02873	0.4
100.11237	14.0
105.03383	0.3
105.06992	0.6
107.04938	2.7
107.08574	0.6
109.02864	0.5
109.06464	0.4
111.01931	0.3
111.04435	1.1
116.01694	0.4
117.03319	0.5
117.05463	1.7
117.13897	0.3
119.01290	0.4
119.04916	4.6
119.08577	0.5
121.02859	0.3
121.06448	0.5
121.10126	0.4
123.04410	12.6
124.04665	0.4
125.05968	0.3
127.03881	0.4
131.04849	0.3
131.08519	0.4
133.06425	0.3
133.10120	0.3
134.19290	0.3
135.04398	5.7
135.07994	1.8
137.02324	3.6
137.05951	2.2
139.11217	0.3
142.03142	0.3
145.02823	0.9
145.10100	0.3
147.04379	10.4
148.04691	0.3
149.02322	0.7
149.05919	0.4
162.02245	0.3
163.03886	6.9
163.07507	0.5
163.11095	1.4
164.04567	0.3
165.05484	2.5
175.03879	1.0
175.07501	0.8
178.07297	0.5
179.03352	5.1
179.08395	0.3
181.04926	0.3
181.08553	0.5
181.12206	1.0
187.03902	0.4
189.05411	0.3
189.08992	0.3
190.07306	0.3
191.03360	100.0
192.03891	4.9
192.08832	0.7
193.04907	0.4
195.07710	0.3
203.03357	3.8
204.03763	0.3
204.05579	0.3
204.08153	0.4
205.04701	1.9
205.06546	0.6
205.08217	1.6
206.06805	3.0
208.08347	0.4
209.16461	2.3
210.09961	0.3
211.07407	0.4
219.08047	1.0
220.08333	3.3
221.04387	6.5
222.06487	0.3
223.07072	1.3
223.09459	0.8
224.07973	0.3
226.09357	0.6
227.17514	0.6
230.07880	0.4
233.04401	1.1
233.07986	0.6
234.06320	3.4
234.08534	0.6
236.07962	0.6
237.09140	0.5
238.09447	1.6
239.06764	0.3
240.07256	0.8
247.07420	0.4
248.07895	2.2
249.07664	0.5
250.05911	0.5
250.08334	0.6
251.06844	2.0
251.08647	2.0
253.08441	0.4
254.08904	1.0
265.08350	1.5
266.08902	11.2
267.09232	0.3
268.06836	0.4
269.11224	0.3
278.07678	0.4
279.08185	0.3
280.10468	3.4
281.11142	1.7
282.08493	0.8
283.09097	1.1
283.11609	1.0
284.13528	0.5
293.10059	0.7
297.10568	1.0
297.13602	2.3
298.11478	1.9
311.10968	3.0
312.13174	2.1
325.06964	0.5
325.12994	0.4
343.08057	46.3
343.17450	1.5
343.30637	12.1
344.08435	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
71.80021	1.7
82.90419	1.1
90.70844	1.0
100.47708	1.0
107.08562	1.5
119.01899	2.5
121.84605	0.9
133.10173	1.0
177.00941	7.8
178.01015	1.1
183.00044	1.2
183.66360	0.9
183.76028	1.0
205.08507	2.3
219.01959	14.3
220.02090	4.8
221.01666	2.3
222.97754	1.1
223.09563	2.2
234.99953	9.1
240.98895	1.3
253.01022	1.9
258.99945	24.8
260.00067	4.2
261.00259	1.0
261.03000	16.4
262.03107	1.6
263.02878	1.9
264.98953	2.3
277.01022	24.4
278.01141	4.1
279.00726	1.3
282.99948	57.5
284.00076	11.1
284.99640	1.2
301.00998	100.0
302.01132	18.4
302.04556	1.5
302.06134	1.6
303.00986	2.2
308.50809	1.9
319.02023	6.8
320.97330	1.6
324.02591	5.5
325.00803	10.5
326.01254	2.3
338.84738	1.2
338.98022	1.4
343.02048	63.5
343.18896	6.0
344.02261	10.9
360.98996	1.3
361.03177	17.9
362.03094	2.4
366.03665	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	342.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03449	1.6
55.05492	5.6
57.06789	2.9
57.07066	55.0
67.05484	13.4
69.07051	8.2
69.57964	9.2
69.58381	3.7
71.04971	3.9
71.08615	61.5
79.05477	3.4
81.07039	38.2
82.06578	2.3
82.07387	1.7
83.08593	2.4
85.06527	2.2
85.09657	2.6
85.10165	37.3
91.05463	3.5
93.07027	14.3
95.08591	46.5
96.04474	34.4
99.00777	2.2
100.03961	10.9
105.06990	3.1
107.08575	9.7
109.10120	3.2
110.17428	1.4
114.05497	4.2
123.77894	1.6
126.86296	1.3
133.10178	1.4
135.11670	51.1
137.13229	8.6
142.04968	6.2
145.10167	2.3
155.14270	60.9
156.14627	2.2
160.06013	4.8
175.11096	1.7
191.03404	2.2
202.59142	1.3
226.21593	14.1
235.12115	1.4
236.20030	5.9
243.23041	1.5
251.20007	3.1
255.51440	1.6
282.20651	4.6
289.25198	100.0
290.25540	6.3
296.22260	1.5
342.22699	77.1
342.26056	3.6
343.18832	4.9
343.23050	10.7
343.26645	2.3
351.56329	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79165	2.4
55.01852	8.5
55.05491	5.9
57.07070	30.2
59.04987	4.5
62.06075	3.2
67.05505	15.2
69.03407	4.6
69.07035	8.0
70.87403	4.5
70.87797	5.7
71.04977	6.9
71.08625	31.9
79.05456	6.7
81.03405	3.0
81.07049	20.3
83.04968	19.3
83.08569	3.2
85.06514	14.7
85.10162	20.0
91.05455	9.0
93.07038	15.5
95.04965	16.8
95.08598	32.9
105.06995	11.3
107.08583	14.3
109.06490	7.5
109.10143	15.6
115.05457	3.2
117.07008	3.3
119.08517	6.6
121.06514	2.8
121.10143	3.5
123.08072	4.4
126.38062	2.2
128.25348	2.4
133.10117	5.6
135.08012	2.4
135.11649	8.5
137.09605	33.7
143.08543	3.5
145.10123	4.0
151.07474	2.5
153.12717	3.9
155.10646	100.0
155.14246	27.7
156.14645	3.0
163.11180	3.2
165.12703	7.6
174.18526	3.6
181.12128	3.3
212.23778	2.9
230.24814	3.3
235.20522	7.3
289.25089	3.3
295.84503	2.4
307.26254	39.9
308.26785	4.0
325.27396	3.2
342.20758	6.7
342.37256	96.4
343.19049	4.6
343.22824	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	342.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.01836	1.1
55.05495	3.7
57.03427	1.0
57.07063	12.4
59.04975	1.5
60.04503	3.3
61.39566	0.9
67.05504	6.2
68.05008	2.3
69.07068	6.6
69.84099	0.9
70.02928	4.2
70.06570	4.2
71.04974	1.1
71.08617	14.3
79.05507	2.0
80.04987	2.2
81.07034	9.2
82.06110	1.4
82.06570	12.8
83.04942	1.5
83.08593	2.7
84.04487	13.5
85.02876	3.2
85.10169	7.3
88.03978	40.9
88.07616	2.0
91.05433	1.2
93.07023	1.8
95.04932	3.0
95.08588	11.8
96.08099	2.8
98.06036	1.0
98.20612	1.6
105.06991	2.3
106.06541	1.5
107.08578	1.4
109.10154	6.8
110.06022	8.9
116.03468	1.3
119.08535	1.4
121.10105	1.2
123.04407	1.1
123.70904	1.1
124.07578	4.9
126.05471	1.6
128.07059	5.6
133.10066	1.2
135.04326	1.0
142.08618	17.5
144.06554	3.4
145.04967	1.6
145.10080	1.6
152.06966	1.0
155.14244	3.6
156.06506	5.3
160.06078	1.3
170.08109	21.8
172.06044	2.3
188.09137	15.7
189.09215	0.9
191.03383	5.2
198.07584	1.5
198.18491	4.8
205.08595	1.1
212.07233	1.0
216.54987	1.0
223.09604	1.6
236.20056	4.4
240.23193	1.0
252.06430	1.1
264.19470	1.2
266.08090	5.3
267.08978	1.2
268.09534	2.0
278.21021	1.6
282.20590	1.9
296.22131	2.1
310.10602	2.4
310.20047	1.0
324.21631	4.5
342.13425	4.8
342.22699	100.0
342.33606	16.5
343.08005	2.1
343.19028	1.8
343.22971	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	342.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.2
56.46677	0.8
57.07064	10.9
58.06582	2.4
59.04978	0.8
61.02899	2.1
67.67013	0.8
69.03412	3.3
70.06564	3.3
70.68449	1.9
81.03406	1.9
83.08600	3.2
84.08143	0.9
85.02896	15.7
86.09662	1.1
89.06017	31.3
91.05456	3.3
94.04185	1.4
97.02877	3.9
98.03179	0.7
101.09646	13.7
103.05443	3.2
105.07020	1.1
107.04971	1.1
107.07056	29.9
109.02936	1.0
111.04450	0.9
111.90136	0.8
115.05442	3.4
117.06960	1.3
119.08556	2.3
121.02843	13.7
122.03629	3.6
127.03896	2.2
128.06262	0.7
129.06978	1.7
131.04897	5.5
132.05685	3.2
137.05962	45.6
141.06979	1.5
143.04932	0.9
145.02812	1.1
145.04938	2.4
145.06442	1.0
145.12247	0.8
147.08041	4.3
160.05171	2.1
163.07516	8.1
163.13275	100.0
164.13628	3.5
168.60326	0.8
169.06378	0.9
175.07523	35.2
181.04817	0.7
183.14825	1.0
186.06758	2.1
187.07542	1.5
201.09187	1.3
226.07094	9.4
235.02107	0.9
248.08432	0.7
261.08911	1.2
265.08578	3.4
267.06470	1.5
279.10162	0.9
283.06073	1.0
297.07535	3.9
297.11380	2.2
299.08804	1.0
311.09241	1.1
325.14386	3.9
342.09689	1.4
342.13336	1.9
342.16959	4.7
343.08109	3.5
343.12576	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.5
53.03918	0.8
54.03465	0.3
55.01853	1.5
55.05498	5.5
56.05022	2.3
57.03431	0.4
57.06792	0.4
57.07066	7.7
65.03926	0.5
67.05493	5.0
68.05004	0.7
69.03401	0.6
69.07052	3.9
69.99616	2.3
70.02937	2.0
70.06567	0.4
71.01340	0.9
71.04964	1.0
71.08238	0.6
71.08620	9.6
72.04497	1.4
73.02894	0.8
73.06528	1.1
74.02414	1.4
79.05484	2.9
80.05000	2.5
80.97746	0.4
81.07038	6.9
82.02916	4.2
82.06572	2.9
83.01318	0.7
83.04940	1.1
83.08592	1.4
84.04499	4.6
84.08133	0.8
85.02882	1.5
85.10165	4.7
86.02423	0.6
86.09664	0.4
88.03979	9.0
89.26001	0.3
91.05490	2.1
91.06004	0.3
92.04988	1.0
93.07027	2.6
94.06563	1.8
95.04958	0.9
95.08588	8.0
96.04486	2.7
97.02844	0.8
97.06507	0.5
97.10130	0.5
98.06036	5.7
98.09685	1.1
98.20644	0.3
99.00813	2.7
100.03953	1.7
105.07018	1.4
106.06559	0.8
107.04917	0.6
107.08559	1.2
108.03839	0.4
108.04451	2.1
108.08063	0.9
109.02820	0.5
109.05236	0.6
109.10123	0.4
110.06029	4.4
110.09634	0.5
111.04416	0.6
112.03957	1.1
112.07611	0.3
112.11210	0.3
114.05521	0.5
116.03443	0.5
116.07070	4.5
116.10720	0.4
117.07003	0.5
118.06527	0.4
119.08575	1.0
120.04437	4.4
120.08052	0.5
121.05231	0.8
121.06460	0.4
121.10106	0.8
122.05991	1.3
122.09697	0.4
124.03928	12.4
124.07558	0.5
125.05988	0.4
126.05477	0.5
126.09103	0.4
128.03410	2.6
128.10651	1.0
129.36087	0.3
131.08553	1.1
132.08058	0.3
132.18222	0.3
133.10110	0.6
133.90070	0.4
134.04482	0.6
134.05981	2.2
134.09674	0.4
135.11633	0.7
136.03909	4.7
136.07562	1.5
137.13217	0.4
138.05444	3.4
140.03386	3.5
142.04956	3.9
143.03365	0.7
145.10086	0.4
146.09630	0.5
148.07550	0.5
150.09119	0.4
152.03401	1.2
152.07021	1.6
153.01842	0.4
153.12724	0.8
154.05016	2.7
155.14301	2.0
156.02875	1.0
162.05466	0.6
162.09109	0.6
166.04971	1.4
170.04485	2.9
170.11711	3.1
173.04422	2.6
173.13217	0.9
180.06500	2.1
180.17580	0.3
182.02985	0.4
182.04489	4.4
187.03870	0.6
188.04091	0.5
188.05573	2.7
188.12794	7.9
188.14429	0.5
189.15044	0.4
190.15912	0.8
191.14328	0.5
192.17465	1.1
198.18521	0.8
200.05510	4.3
200.14214	0.6
208.06010	2.8
208.16911	2.3
210.18530	3.6
218.15395	1.1
226.07059	6.0
226.17981	3.1
227.16371	1.2
234.18546	1.2
236.16405	4.2
237.17157	0.7
246.14925	0.4
250.17941	1.0
260.16464	0.9
264.15927	1.2
270.20599	2.6
270.23923	0.6
278.17493	1.0
282.17032	3.6
282.24216	1.1
296.18610	2.2
297.16989	0.8
306.17004	1.3
324.18011	9.5
324.24728	0.4
325.16299	0.7
342.19083	100.0
342.26157	50.5
343.04623	0.7
343.19638	2.4
343.26486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1696
Annotation	Norsecocularine
Peak:m/z	Relative Intensity
55.01864	1.7
55.05496	1.7
56.75508	1.2
58.02950	1.6
58.06593	8.5
64.04192	1.1
67.92623	1.2
70.06582	1.3
70.94524	3.9
72.04507	1.3
80.05798	1.3
81.03384	1.5
81.07034	3.8
83.08610	2.0
85.02895	3.4
91.05455	3.0
92.05805	1.3
93.07007	1.4
95.04976	2.0
99.04478	1.5
99.82225	1.2
100.11236	4.7
103.03934	1.9
105.03384	2.5
106.26141	1.2
107.04922	2.5
111.04455	1.3
114.09133	3.2
118.59759	1.3
119.08543	2.2
122.09540	1.1
127.03881	2.2
134.10323	1.2
135.04395	1.8
137.05949	5.0
138.06320	1.8
142.08661	2.9
147.04381	2.3
150.06654	1.3
162.06660	2.3
163.03828	3.1
163.07336	1.8
163.11221	1.8
165.06989	3.7
166.07668	1.4
176.06230	1.1
177.06976	4.2
178.07713	3.0
179.08527	4.2
181.06453	1.5
182.07224	1.2
184.16957	1.6
189.06950	2.3
190.07741	2.7
191.03363	11.6
191.08534	11.5
192.08961	1.4
193.06535	1.6
193.10049	1.6
194.07220	3.0
195.08014	3.0
198.79422	1.4
201.19571	1.6
203.08577	3.3
204.05708	3.9
204.08084	6.6
205.06461	18.5
206.07051	2.7
207.08018	9.4
208.08792	3.8
209.05923	2.1
209.09613	4.6
210.06754	2.4
211.07458	4.1
217.06381	1.3
218.07257	3.3
219.08022	26.9
220.08571	2.7
221.06000	7.9
221.09554	3.8
222.06842	9.2
222.08907	2.8
223.07507	4.0
224.04706	2.0
224.08267	6.6
225.09044	6.8
226.10017	1.7
232.07585	3.5
233.05959	18.8
234.06647	2.9
234.10393	14.6
235.07509	19.7
235.11052	1.5
236.08246	9.6
237.09067	32.7
238.06197	1.9
238.09525	2.1
239.06935	6.3
239.10526	1.8
240.07838	1.7
241.08524	2.5
247.07579	12.6
248.08246	1.9
249.05368	2.0
249.09343	2.9
249.11513	3.8
250.06148	9.6
250.09773	16.2
251.06973	8.3
251.10567	4.1
252.07471	1.6
252.11433	10.4
253.08606	17.4
254.09357	7.1
255.10121	3.3
263.06998	1.6
264.07642	3.4
264.10199	2.8
265.08572	100.0
265.12155	35.1
266.08932	6.2
266.12076	4.0
267.06540	7.7
267.10013	3.7
268.10944	12.3
269.11404	1.5
278.08063	3.1
278.23166	1.6
279.10168	16.8
280.10870	82.0
281.08099	37.5
281.11331	4.8
282.08603	8.1
282.11340	5.2
282.14578	2.3
283.09839	1.9
283.13269	19.3
292.09772	4.1
296.10297	51.4
297.11050	16.8
298.11737	2.3
299.09097	2.2
299.12445	1.9
300.15887	9.7
310.10739	13.6
311.09250	4.0
311.12726	84.2
312.13031	7.5
324.12457	1.7
325.14124	2.2
342.09897	3.1
342.13290	11.6
342.16974	68.1
342.20480	3.0
342.27487	3.2
343.07941	3.5
343.17331	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	342.1693
Annotation	Norsecocularine
Peak:m/z	Relative Intensity
60.04497	1.8
64.85439	0.7
66.02247	0.8
70.27311	4.4
93.08792	0.9
100.62877	0.9
191.08585	1.1
205.06461	3.5
207.08014	1.2
209.09503	1.3
217.06448	2.9
217.08852	2.6
218.07301	1.3
219.08012	2.9
221.05963	2.1
222.06718	1.2
225.09091	3.4
232.08797	8.8
233.05946	12.2
234.06424	1.2
235.07553	1.9
236.08325	2.8
237.09053	22.4
247.07503	2.0
248.08321	15.0
248.10619	1.3
249.05406	3.8
249.08923	3.6
251.10529	2.9
253.08545	11.8
254.08714	1.1
263.06821	2.1
263.10645	17.9
264.07715	3.4
265.08545	47.9
266.09113	1.8
267.06534	1.9
267.10059	2.1
268.10922	1.8
276.07355	1.0
277.04947	3.7
279.10257	5.4
280.10876	84.3
281.08084	39.9
281.11188	5.3
282.08664	2.3
283.09320	1.0
284.10422	0.9
289.08478	1.4
292.07260	3.0
296.10382	51.0
297.10898	1.7
299.12723	1.0
307.09586	14.9
308.09872	1.2
311.12720	100.0
312.13110	4.4
324.12234	10.0
342.16943	42.9
343.17368	1.7
350.18695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
54.03451	1.0
56.05011	1.8
58.06572	1.0
58.19357	0.4
59.94777	0.3
60.04509	0.7
63.15126	0.4
65.67227	0.3
66.03082	0.4
67.05483	0.6
68.04996	0.6
69.07069	2.7
70.06567	1.5
71.79955	0.6
74.06055	0.6
79.05470	0.5
80.04994	1.1
82.02930	2.4
83.06069	1.2
84.04474	1.5
84.08150	0.5
85.02872	1.1
85.37022	0.4
86.09698	3.0
91.05437	0.7
93.07032	0.6
94.02923	1.2
95.04931	0.8
95.08615	0.5
96.04462	0.7
96.08085	1.3
97.07635	2.2
99.05563	5.6
102.05510	1.9
105.06998	0.5
107.04946	0.7
107.11011	0.5
108.04468	1.5
108.05193	0.4
109.02880	0.6
111.05548	22.0
115.17383	0.4
116.07039	0.4
118.00593	0.4
119.04930	0.5
120.06522	0.5
121.06469	0.4
122.09659	4.4
125.06166	0.6
125.07086	10.5
126.05499	6.0
127.03958	0.6
127.05009	3.1
130.04968	0.6
137.05936	2.4
139.05000	37.6
139.12289	3.3
140.05334	0.4
147.04402	3.1
148.04741	3.7
149.04932	1.0
150.05156	0.9
150.09116	6.5
152.10664	1.6
153.06554	4.0
163.03951	1.0
163.11188	0.6
165.90515	0.5
167.11771	18.4
168.10168	1.1
168.12219	0.6
175.07608	0.5
175.40724	0.5
181.04918	0.7
191.03392	0.5
195.11261	100.0
196.09744	0.7
196.11559	4.0
223.07272	1.0
223.10751	7.7
238.04849	0.8
265.08679	0.5
266.04495	1.6
267.06512	0.9
278.14841	1.2
279.13293	1.6
280.05966	0.5
281.06720	4.0
292.06100	0.8
294.04065	0.8
296.16043	1.8
297.11188	0.9
299.09070	1.0
309.06250	11.2
310.06552	0.8
311.09244	1.0
324.05139	0.9
324.08820	10.1
324.15454	28.0
325.08920	1.0
325.15796	1.9
342.09653	1.5
342.13312	2.7
342.16959	2.5
342.22073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
55.01866	1.8
57.03410	4.6
61.02892	3.3
69.03419	17.3
70.06576	4.9
71.04969	4.8
71.47110	2.9
73.02903	5.8
74.06087	1.9
81.03407	12.5
83.04972	1.9
84.08144	2.9
85.02888	85.4
86.09686	1.7
93.07034	2.1
97.02883	26.4
97.03467	3.1
99.04433	41.4
103.03925	98.6
104.04240	1.7
105.35107	1.9
109.02866	16.6
111.04443	2.7
121.06475	30.9
127.03892	100.0
129.94066	1.6
138.09082	8.7
139.03821	3.0
145.04927	68.1
147.04398	2.1
163.03847	6.8
163.05983	70.6
164.04149	1.6
179.03362	3.3
180.03728	4.4
180.06503	4.1
180.08792	8.6
187.06007	4.9
205.07086	4.6
271.08109	9.2
289.09030	6.2
307.10150	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	342.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12245	1.1
53.03926	3.3
55.01869	2.6
57.03413	2.4
60.73682	1.1
61.02919	2.7
69.03416	15.1
69.70882	2.3
69.71289	9.0
70.06565	4.8
71.04974	4.5
72.08147	1.2
73.02897	3.6
75.45079	1.0
75.83232	1.2
81.03398	11.3
83.04961	1.8
84.08124	2.4
85.02890	79.7
86.03227	1.3
91.03938	1.6
94.06544	1.6
97.02881	25.1
99.04438	39.1
101.02338	1.3
103.03925	93.4
109.02853	15.4
110.07129	1.6
111.04414	4.1
116.07055	1.5
117.05489	2.5
121.02821	1.8
121.06490	18.4
123.04392	1.8
127.03893	100.0
128.04233	2.4
135.04404	1.8
136.06117	1.4
138.09125	3.5
139.03868	3.1
145.04932	64.8
146.05263	1.9
147.04404	2.3
151.16505	1.2
152.06996	1.4
163.04010	6.1
163.05992	68.9
164.06320	2.4
179.03363	2.3
180.03714	2.7
180.06529	3.9
180.08769	4.2
181.04930	2.9
187.06007	4.0
195.25983	1.2
205.06969	6.5
253.07079	1.6
266.84155	1.2
271.08069	7.8
289.09149	4.9
307.10187	22.6
307.13409	2.0
308.10574	1.4
342.20877	1.2
343.09396	1.7
343.14365	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60488	0.6
59.66044	0.6
60.04514	38.3
71.08599	0.7
85.02928	0.7
85.70356	0.6
94.16964	0.6
134.79480	0.6
137.05980	0.9
138.06302	0.8
153.06937	1.2
155.08556	0.7
165.06966	8.4
165.08218	0.9
166.07722	9.0
167.08519	0.6
175.07584	0.7
176.06216	0.9
177.06953	2.1
177.42194	0.6
178.07657	4.0
179.08505	5.0
181.06436	8.9
181.10036	1.1
191.03316	0.8
191.49171	0.6
192.05669	1.3
193.06436	7.5
194.07230	13.6
195.07947	3.5
196.08727	1.0
205.06436	3.1
206.07230	2.7
207.04404	0.6
207.07874	1.0
208.08801	40.5
209.03914	0.9
209.05942	36.6
209.09457	4.7
221.05942	4.5
222.06647	5.0
223.07416	3.2
224.08281	63.8
225.05452	2.9
225.08627	2.2
237.05486	1.5
237.09113	1.5
238.09804	1.3
239.10623	49.7
240.11012	1.3
249.05373	2.4
250.06172	2.3
251.06985	1.6
252.07814	2.3
253.04898	2.0
254.05641	1.7
265.08554	100.0
266.08749	4.3
268.07242	4.6
283.09598	42.8
284.09943	1.9
310.14914	0.6
321.40808	0.8
326.11942	0.8
327.07129	0.7
342.09869	3.2
342.13406	1.0
342.17636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
58.06585	1.5
66.67651	0.7
67.05482	0.7
68.99775	1.0
69.20668	0.6
70.06567	0.6
71.47608	1.3
71.47932	0.8
72.04487	2.6
73.56109	0.7
79.05465	1.7
84.08128	0.7
85.02891	1.3
86.09680	0.7
91.05477	1.4
95.04954	1.6
100.11240	1.2
107.04919	2.7
107.08543	0.8
119.04948	3.6
123.04422	10.3
135.04381	4.5
135.08038	0.8
137.02341	3.3
137.05933	2.4
147.04378	8.0
153.08110	0.7
163.03889	5.4
163.07504	0.7
165.05469	1.8
165.06984	2.3
166.07788	1.9
167.08513	2.1
175.03894	0.7
176.06154	1.8
177.06952	4.1
178.07706	1.0
179.03363	3.7
179.08534	3.1
181.10077	1.1
189.06934	2.3
190.07739	2.0
191.03366	70.6
191.08502	8.3
192.04123	2.4
193.06454	2.1
194.07254	4.9
195.07993	2.3
203.03366	2.3
204.05701	7.1
204.08060	9.5
205.06468	28.1
205.08403	1.2
206.07011	1.6
207.08043	6.3
208.08766	2.9
209.06058	0.7
209.09581	3.8
210.06828	1.1
211.07506	2.1
218.07281	1.7
219.08012	28.0
220.08487	1.3
220.27242	0.7
221.04321	3.1
221.06329	4.3
221.08092	1.3
222.04605	0.9
222.06723	12.0
222.09087	5.0
223.07556	3.4
224.08264	1.8
225.09140	4.0
229.07643	0.7
232.07516	7.6
233.05997	28.6
233.08081	1.0
234.06561	2.9
235.07542	6.1
236.08342	4.5
237.09077	19.0
238.06197	1.8
239.07028	3.8
239.09164	1.0
240.07706	0.8
241.08577	1.2
247.07516	19.5
248.08270	1.0
249.05409	2.2
249.07927	2.0
250.06181	15.5
250.08641	20.9
251.06827	1.9
251.10814	1.4
252.07750	2.0
252.11401	2.9
253.08553	8.5
253.11118	1.0
253.12080	0.8
254.09288	3.4
254.11618	1.2
255.10068	1.3
260.06873	1.3
263.07034	2.2
264.07657	2.4
264.10266	3.0
265.08566	100.0
266.08829	4.7
267.06528	3.8
267.10321	3.4
268.10922	3.3
277.07233	4.3
278.08133	6.0
279.10123	25.8
280.10895	31.8
281.08105	13.8
281.11139	2.2
282.08676	7.9
282.11273	10.7
283.13275	5.3
292.09686	8.0
296.10284	11.9
296.12860	13.6
297.11102	18.4
300.15771	3.3
310.07263	0.9
310.10638	24.3
311.12756	32.4
312.13022	0.9
324.12286	3.9
325.14456	1.3
342.09677	4.2
342.13293	14.1
342.16977	18.5
343.04514	1.5
343.08047	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	341.1739
Annotation	Myricanene A
Peak:m/z	Relative Intensity
55.01858	0.2
55.05509	1.4
57.07068	2.0
67.05490	1.4
69.07054	1.8
70.71172	0.6
70.71563	0.4
71.08608	0.8
79.05470	0.4
81.07044	1.2
83.04945	0.2
83.08581	0.4
91.05446	0.7
93.07024	0.4
95.04955	0.4
95.08572	0.7
102.47527	0.2
103.05434	0.6
105.07016	0.7
107.08561	0.4
109.10123	0.3
115.05463	1.2
116.06252	0.3
117.07015	1.0
118.56117	0.2
119.04851	0.3
119.08576	0.3
121.06512	0.3
121.10123	0.2
127.05386	0.2
128.06201	0.3
129.07004	0.5
131.04912	2.2
133.02838	0.2
133.06470	0.4
133.10133	0.3
137.05957	0.7
138.27512	0.2
139.03731	0.2
139.05400	0.3
141.06970	1.1
143.04887	0.3
144.05710	1.1
145.06488	2.1
145.10117	0.3
147.04381	0.7
153.06970	0.5
155.04936	1.2
155.06024	0.3
155.08562	0.5
157.06410	1.1
159.04388	4.4
161.05942	0.4
165.06981	0.6
169.06433	0.6
171.04346	1.1
172.05176	1.6
173.05943	3.7
175.03864	1.0
175.76141	0.2
179.03386	0.3
181.06499	0.4
183.04393	1.3
183.08018	0.5
185.05943	1.6
187.03874	7.4
187.07478	0.6
188.04285	0.4
189.05400	0.5
193.04932	0.6
193.06474	0.5
195.07980	0.2
197.05948	2.4
198.06261	0.2
199.03871	4.0
199.07460	0.4
200.04648	8.2
201.05432	7.1
202.05826	0.4
207.02769	0.3
207.07977	0.3
211.07541	1.4
213.05429	7.8
214.05872	0.3
215.03307	1.3
215.07004	0.3
217.04903	1.3
221.05994	1.0
221.09592	0.3
223.07520	0.3
225.05421	3.1
225.08981	0.3
227.03392	0.4
227.07016	0.4
228.04198	0.5
229.04915	1.6
231.02827	0.2
237.05344	0.4
237.09100	0.2
238.06305	0.3
239.06967	5.4
240.07687	0.3
241.04892	0.2
241.08507	0.4
243.09993	0.2
245.04420	0.6
249.09070	0.2
251.06985	0.5
251.10840	0.2
252.23201	0.6
253.08578	1.0
265.08521	0.3
267.10144	0.2
279.09900	0.2
295.22693	0.2
311.16235	1.0
313.17902	6.6
314.18271	0.3
328.59509	0.2
339.16006	0.3
340.78137	0.3
341.17419	100.0
342.17755	6.1
342.21924	0.3
357.16858	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1742
Annotation	Myricanene A
Peak:m/z	Relative Intensity
53.03923	0.2
55.01846	0.5
55.05500	1.9
57.07066	2.1
62.84062	0.2
67.05490	1.7
67.99655	0.2
69.07059	2.4
71.08607	0.9
71.54749	0.4
79.05478	0.5
81.07038	1.7
83.08583	0.3
85.10151	0.2
91.05435	1.2
93.07024	0.5
95.04970	0.5
95.08590	0.7
103.05424	0.6
105.07004	0.4
107.08575	0.4
109.10136	0.4
110.36120	0.2
112.48826	0.2
115.05411	1.2
116.06223	0.3
117.07001	0.9
119.08634	0.2
121.06428	0.3
121.10110	0.3
122.06940	0.2
123.11656	0.3
127.05431	0.3
128.06227	0.4
129.06975	0.6
131.04892	2.6
131.08534	0.3
133.02824	0.3
133.06458	0.2
133.10086	0.3
137.05927	0.8
139.05408	0.2
141.06949	1.8
143.04863	0.4
144.05669	1.7
145.06468	2.0
147.04384	0.9
153.06949	0.4
155.04828	1.2
155.06013	0.3
155.08507	0.6
157.06470	1.0
159.04393	3.9
161.05942	1.2
165.06927	1.0
168.05672	0.4
169.06508	1.5
171.04388	1.4
172.05191	1.3
173.05948	4.5
175.03899	1.1
175.07431	0.3
179.03352	0.3
179.08545	0.3
181.06441	0.5
183.04349	1.4
183.07990	0.7
184.05109	0.2
185.05956	1.2
187.03865	10.8
187.07484	0.4
188.04259	0.4
189.05469	1.3
193.04887	0.6
193.06505	0.7
195.08018	0.4
197.05942	3.1
199.03856	4.7
199.07556	0.4
200.04637	9.9
201.05414	7.7
202.05739	0.4
205.06468	0.3
207.08043	0.4
209.05867	0.3
211.07507	1.4
213.05424	7.8
214.06010	0.7
215.03383	1.3
215.06993	0.5
217.04907	2.4
221.05916	1.0
223.07513	0.3
225.05435	4.2
225.09064	0.5
226.05925	0.2
227.03392	0.4
227.06992	0.6
228.04115	0.4
229.04961	1.6
235.07472	0.5
237.05379	0.3
239.06992	5.3
240.07587	0.5
241.05009	0.4
241.08432	0.3
245.04385	0.6
251.06937	0.4
253.08595	0.8
263.10437	0.3
265.08524	0.2
279.10181	0.3
311.12485	0.2
311.16296	0.6
313.17914	12.9
314.18277	0.7
339.15726	0.3
341.17410	100.0
342.17770	6.5
342.21939	0.3
357.17044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23004	0.3
51.47661	0.3
55.05489	1.2
57.07069	3.8
59.12223	0.3
60.59925	0.3
67.05481	0.8
67.96156	0.3
69.07069	1.5
69.39767	0.3
69.50412	3.0
71.08624	2.0
81.07024	1.1
82.06561	0.5
83.08611	0.4
84.04487	0.9
85.10168	0.4
93.07060	0.3
95.08585	1.0
98.20663	0.7
98.29317	0.3
103.05436	0.5
105.06991	0.5
115.05430	1.0
115.65897	0.3
117.06990	0.9
128.07056	0.3
131.04903	1.3
133.06444	0.5
137.06013	0.4
141.06924	0.6
143.04886	0.8
144.05664	2.9
145.06480	4.5
147.04375	0.4
151.51276	0.3
155.04907	0.7
155.06052	0.6
156.06534	0.6
159.04416	0.6
161.05952	4.0
169.06416	0.8
171.03070	0.4
171.04402	2.6
172.05179	1.1
173.05949	5.9
174.07483	0.6
175.03842	0.4
181.06497	0.4
183.04355	1.2
183.08051	0.3
184.05069	0.4
185.05861	0.6
187.03871	26.1
188.04195	1.0
189.05435	9.3
196.79634	0.3
197.05963	2.0
198.06804	0.3
199.03865	0.4
200.04645	31.1
201.05426	11.9
211.07549	0.7
212.20114	0.6
213.05441	0.9
217.04967	0.5
223.60558	0.3
225.05312	0.5
239.07191	0.4
253.08290	0.3
281.09644	0.4
313.17920	100.0
314.18243	5.9
341.17490	4.4
341.21158	0.3
342.17429	0.3
342.18289	0.4
342.22681	3.8
360.34479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67272	0.3
55.05484	1.2
57.06825	0.4
57.07064	4.2
57.93492	0.4
59.59233	0.3
59.83472	0.3
63.48667	0.3
67.05473	1.0
69.07051	1.7
69.61462	0.7
69.61867	2.1
71.08604	1.9
79.05467	0.7
81.07024	1.4
83.04936	0.3
83.08575	0.4
85.10141	0.3
91.05476	0.8
91.36032	0.3
93.07011	1.0
95.05003	0.4
95.08572	1.4
97.02869	0.4
103.05437	0.6
105.06979	0.7
107.08570	0.5
110.78552	0.4
111.04401	0.6
113.16161	0.3
115.05439	1.1
116.06241	0.5
117.06987	0.9
118.27396	0.3
119.08573	0.4
121.06507	0.5
131.04919	1.6
131.08531	0.4
137.05940	1.3
141.06917	0.5
142.08643	0.7
143.04861	0.8
144.05670	2.4
145.06454	4.3
147.04318	0.5
147.07991	0.3
149.09608	0.4
155.04897	1.2
157.06557	0.5
159.04301	0.7
161.05937	4.2
168.05644	0.5
169.06470	1.1
170.08060	0.7
171.04396	3.3
172.05106	1.0
173.05952	6.1
175.03854	0.7
181.12149	2.6
183.04402	1.0
184.05067	0.3
185.05957	0.4
187.03870	26.4
188.04211	0.6
189.05428	9.3
190.05730	0.6
195.96834	0.4
197.05937	2.2
200.04646	31.2
201.05420	12.4
213.05406	0.4
215.06926	0.5
235.43073	0.3
297.18546	0.4
305.21091	0.3
313.17908	100.0
314.18262	6.7
341.17331	0.9
341.20944	0.8
341.24619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04780	0.2
55.05502	1.0
57.07067	4.0
67.05487	1.0
69.07060	1.9
69.82110	2.2
70.06561	0.3
70.41988	0.3
71.08631	1.4
79.05493	0.4
81.07043	1.4
82.06523	0.3
83.04960	0.4
83.08613	0.4
84.04478	0.3
85.10178	0.5
85.79346	0.3
91.05422	0.4
93.07019	0.4
95.04970	0.3
95.08582	0.8
98.21418	0.4
100.89236	0.3
103.05455	0.4
105.07036	0.5
106.26804	0.3
107.08562	0.4
109.10152	0.3
115.05444	1.0
117.06998	1.3
131.04895	0.9
137.05971	1.0
142.08636	0.5
143.04892	0.4
144.05673	2.8
144.08344	0.3
145.06465	3.9
155.04877	1.2
155.06026	0.5
155.14215	0.3
159.04439	0.6
161.05943	3.5
161.09622	0.4
169.06476	1.0
170.08040	0.8
171.04359	2.2
171.28166	0.3
172.05168	1.1
173.05980	5.1
181.06497	0.6
183.04416	0.7
184.05167	0.6
185.06044	0.4
187.03876	25.6
187.11006	0.3
189.05452	9.7
190.05876	0.4
197.05954	2.1
200.04654	28.7
201.05415	12.0
202.05754	0.5
214.06232	0.6
215.03226	0.3
215.06776	0.4
222.15775	0.4
237.28641	0.3
269.10934	0.4
279.01624	0.3
287.11667	0.4
297.18292	0.3
302.57599	0.3
313.17926	100.0
314.18277	5.2
341.06433	1.1
341.17352	1.6
341.21045	0.7
341.24460	0.4
342.26212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1741
Annotation	Myricanene A
Peak:m/z	Relative Intensity
50.39598	0.3
50.96119	0.3
52.57655	0.3
53.03878	0.3
53.64903	0.3
55.01814	0.6
55.05447	1.9
55.37979	0.3
56.96499	0.4
57.07008	4.4
57.07308	0.4
60.06721	0.3
67.05434	2.1
69.07059	2.9
69.86089	1.1
69.86520	1.1
70.06532	0.8
71.08616	2.4
72.08103	0.6
74.26389	0.3
79.05414	0.9
81.07034	2.4
83.08581	0.6
84.08078	0.3
85.10101	0.6
87.85804	0.3
91.05401	0.9
93.06950	0.7
95.04877	1.3
95.08581	1.7
98.05952	0.3
98.09656	0.6
98.21471	0.4
103.05414	0.7
105.06933	1.1
107.08528	0.5
109.10094	0.7
115.05405	2.0
116.06172	0.6
117.06937	1.4
119.04832	0.4
121.10056	0.4
128.06175	0.4
129.06943	0.6
131.04892	2.6
131.08435	0.5
133.06361	0.8
133.10048	0.5
137.05888	1.4
139.03828	0.5
141.06943	1.6
143.04811	0.8
143.08536	0.4
144.05699	3.5
145.05322	0.3
145.06453	6.3
145.10036	0.7
147.04321	0.6
153.06833	0.5
155.04883	2.2
155.05975	0.5
155.14174	0.6
157.06398	1.1
159.04379	2.8
161.05939	4.1
165.06874	0.7
169.06474	1.5
171.04375	3.3
172.05179	1.9
173.04536	0.4
173.05954	7.6
173.09476	0.4
174.06284	0.4
175.03816	1.1
177.35191	0.3
181.06404	0.3
183.04329	1.3
183.08014	0.6
184.05205	0.4
185.05875	1.0
187.03874	28.0
187.07336	1.0
188.04152	1.0
189.03796	0.6
189.05441	10.7
193.06435	0.6
197.05942	2.7
199.03836	2.3
200.04648	32.5
201.05424	14.5
202.05760	0.8
205.06418	0.4
211.07433	1.3
213.05429	4.4
214.06044	0.5
215.03354	0.7
215.06842	0.4
217.04892	1.6
219.07933	0.5
221.05916	0.6
225.05438	1.9
225.09074	0.4
228.04016	0.3
229.04811	1.0
237.05241	0.4
239.06993	2.7
253.08452	0.5
265.08536	0.3
269.17352	0.4
281.09482	0.8
309.16647	0.3
311.12634	0.5
311.16202	0.3
313.17920	100.0
314.18280	9.5
314.21164	0.2
341.17429	53.5
342.17682	5.5
342.21915	0.6
357.16867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
55.05479	0.7
64.51309	0.6
65.03938	0.6
70.31823	2.5
79.05467	2.3
81.07040	1.9
85.02872	0.6
91.05439	3.6
93.06999	0.8
94.04191	3.6
95.04957	0.8
95.08551	0.7
100.11237	1.2
103.05456	1.3
105.07011	6.5
107.04932	1.8
107.08563	0.6
109.06483	1.9
112.76649	0.5
115.05403	3.6
117.07045	1.5
119.04910	0.6
119.08544	2.7
120.45764	0.5
122.03623	6.3
128.06204	1.8
129.06966	1.7
131.04915	1.6
131.08546	0.7
132.05681	2.1
133.06470	6.1
137.05948	100.0
138.06253	1.4
141.06950	0.5
144.05666	0.8
145.06435	0.9
146.03572	0.6
147.04359	1.6
147.08026	3.1
149.05948	1.4
151.07545	0.6
155.04895	1.0
156.05629	1.1
157.06453	0.6
159.08017	2.8
160.05182	2.0
161.05948	12.8
162.06648	0.6
163.07520	0.7
167.07028	0.9
168.05931	0.6
171.08110	0.8
172.05186	1.7
175.07509	27.6
176.07845	1.1
177.05406	0.5
177.09073	0.6
184.05193	1.2
185.05951	1.1
187.07501	11.2
189.06958	1.3
189.09087	0.8
190.07632	3.6
191.08531	7.7
199.00996	0.5
199.07536	8.2
202.07761	2.7
203.08540	5.1
204.09172	0.7
205.06508	0.7
207.08063	0.7
208.08752	0.7
217.08588	1.1
218.07280	2.2
219.07999	12.9
220.08707	2.7
221.05887	0.8
221.09514	0.9
231.08012	6.0
232.08795	1.5
235.07457	1.6
236.08290	2.4
237.09087	1.0
246.06610	0.9
247.07521	6.1
248.08226	3.1
248.76797	0.5
249.09074	1.2
251.10634	15.6
252.10805	0.7
253.08354	0.8
255.12639	0.5
259.07535	4.0
260.08255	0.9
261.09027	1.3
263.10532	2.8
264.07709	1.6
265.08575	1.4
275.06967	0.7
276.07770	2.2
277.08545	2.5
279.10123	14.8
280.10602	1.6
281.08096	1.0
283.13641	0.6
291.10095	6.2
292.10788	2.2
295.13196	1.4
296.10410	1.1
308.10510	0.7
309.11115	1.0
309.89984	0.5
311.09052	0.9
311.12714	18.6
312.13034	1.0
323.12686	4.3
341.06616	1.1
341.13791	3.3
341.20718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05491	0.7
58.06590	0.8
65.03908	0.7
67.05486	1.2
69.66052	1.6
69.66463	5.0
71.04988	0.6
76.67793	0.7
79.05461	2.6
81.07018	2.6
87.55045	0.7
91.05462	5.2
93.78577	0.6
94.04153	2.8
95.04951	0.9
95.08613	0.8
103.05446	1.8
105.07031	4.8
107.04915	1.6
107.08566	1.2
109.06515	2.6
109.10091	0.9
115.05420	2.7
115.46108	0.6
117.07014	1.1
119.04908	1.2
119.08560	2.0
121.06488	1.1
122.03621	6.7
123.04389	0.7
128.06183	2.0
129.06982	2.3
130.06516	5.1
131.04897	1.4
131.08449	1.0
132.05685	1.7
133.06471	4.8
137.05949	100.0
138.06303	1.1
140.64444	0.8
143.04901	1.0
145.06448	1.1
147.04393	0.8
147.08029	3.8
149.05981	1.9
156.05695	1.0
157.06564	0.7
159.08012	3.1
160.05142	2.4
161.05946	9.6
165.06981	1.2
166.05002	1.7
171.07986	0.9
172.05165	1.3
175.07510	27.6
177.08961	0.9
184.05193	1.1
187.07515	10.0
189.09099	1.6
190.07747	3.3
191.08521	9.3
199.07498	8.9
202.07779	3.6
203.08485	5.1
205.06458	1.1
207.08058	1.5
208.08882	1.2
217.08478	1.0
218.07240	2.9
219.08040	13.0
220.08713	2.7
231.07965	5.3
232.08827	1.1
233.09579	0.9
235.07491	2.1
236.08340	2.1
237.09085	2.7
247.07477	5.3
248.08243	3.4
249.09148	1.7
251.10631	13.2
253.08376	1.8
259.07516	3.9
260.08231	1.4
261.09048	1.7
263.10602	4.4
264.07843	2.0
265.08502	5.5
276.07800	1.3
277.08575	2.1
279.10092	11.0
280.10876	6.8
281.07965	5.1
291.10236	6.2
292.10889	2.5
295.13257	1.0
296.10391	5.8
308.10275	1.1
311.12708	24.5
323.12726	3.6
341.06601	6.3
341.14029	2.3
341.26468	1.0
342.16922	2.7
352.81396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2839
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
53.60721	0.8
55.01875	0.7
55.05505	3.3
56.05016	2.2
57.03431	1.1
57.06821	1.0
57.07067	12.3
60.08154	5.2
67.05499	5.5
68.05002	1.0
68.70386	0.6
69.07056	9.3
70.02953	1.6
71.04991	0.7
71.08621	5.6
71.79430	0.8
73.06543	0.8
76.03994	1.6
79.05492	1.7
80.05024	1.2
81.07040	6.0
82.06551	2.2
83.08599	2.6
84.04480	1.1
84.08123	11.0
85.10165	3.4
86.09670	2.0
87.04467	0.7
93.07025	1.8
94.06537	0.7
95.08585	6.1
96.08067	0.9
97.10133	2.1
107.08560	1.5
109.10171	3.4
112.11227	7.5
119.08504	0.8
121.10118	1.3
123.11681	0.8
158.11757	3.3
226.21614	10.6
238.21475	1.5
276.26892	3.2
294.27863	44.0
295.28262	2.6
314.31284	0.8
340.28415	100.0
340.39285	21.2
341.21002	0.8
341.28653	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	340.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15886	0.8
53.03919	0.8
55.01861	2.4
55.05503	31.0
57.03416	2.0
61.02901	2.3
67.05494	6.3
69.03425	9.4
69.07056	5.2
70.91908	1.4
70.92251	1.7
73.02895	1.3
79.05467	3.8
81.03389	2.8
81.07050	7.5
83.04980	1.7
83.08604	31.6
84.26407	1.0
85.02889	16.6
97.02867	3.8
97.10152	65.7
98.09679	2.3
98.10449	1.3
100.11242	2.7
101.09603	1.3
105.07015	1.4
107.04938	37.6
107.08564	8.6
107.25442	0.9
109.02863	1.8
111.89207	1.1
112.07528	1.0
114.09161	1.7
123.04429	1.1
125.09610	100.0
126.09981	2.0
127.03901	1.3
137.05945	4.3
142.08597	1.0
143.10652	86.6
144.10976	2.5
145.04889	1.8
146.03149	1.1
161.11717	23.4
177.05515	2.2
178.05905	1.2
182.15361	1.4
191.03409	1.2
193.04910	1.6
199.50912	0.9
207.06560	2.0
229.68901	1.0
235.05888	7.6
244.50793	1.0
264.86975	1.1
309.21631	1.5
340.08044	5.6
340.25806	2.3
341.10083	3.7
341.13922	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1175
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
70.06575	0.4
98.21381	0.5
105.07022	0.4
137.05940	3.4
138.74356	0.2
161.05940	0.5
167.91298	0.2
168.08089	0.6
175.07481	0.7
177.05418	0.4
178.05757	0.5
179.87050	0.3
181.08853	0.3
187.07494	0.5
191.08556	0.4
192.08087	0.3
196.07555	1.6
199.07500	0.4
199.09976	0.4
200.10692	0.4
201.07893	0.4
208.07492	0.3
208.11179	0.2
209.08379	0.5
212.06955	0.3
219.07979	0.4
220.07559	0.6
221.08284	0.4
222.05466	1.3
222.09015	0.4
223.09811	0.5
224.07010	1.2
224.10692	0.6
226.08615	0.8
228.10158	1.3
236.07025	1.6
237.07800	3.6
238.08397	1.1
240.06575	0.3
241.07439	0.5
242.08139	0.7
243.08875	0.2
247.06245	0.3
248.06937	0.5
249.07750	0.7
250.04965	0.9
250.08627	2.4
251.05676	0.3
251.09019	1.0
252.10176	2.2
253.10896	0.4
254.08080	5.9
255.08720	0.6
256.09543	1.3
262.08551	0.3
263.09579	0.3
264.06512	1.5
265.07288	4.9
266.08093	1.6
267.47076	0.2
268.09592	0.6
269.10400	0.4
270.07584	0.5
276.06580	0.5
278.04797	0.2
278.08109	1.4
279.08820	4.7
280.09628	7.5
281.10220	0.8
282.07574	5.9
283.07977	0.5
292.06046	2.8
293.06744	2.0
294.07608	1.1
294.10419	0.3
296.09155	1.5
297.09924	5.8
298.10501	0.6
306.07309	0.3
307.08337	3.2
308.09113	25.9
309.09717	4.2
310.06998	1.0
311.12750	0.4
312.12265	0.4
322.10501	0.4
324.08594	0.4
325.09396	14.4
326.09879	0.6
340.11740	100.0
341.12079	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	339.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	36.4
55.59887	4.2
57.03428	10.3
57.07065	59.3
57.09096	4.2
67.05486	37.8
69.07054	51.0
69.49516	54.4
71.04966	21.4
71.08282	5.8
71.08620	58.8
79.05466	19.1
81.07043	67.5
83.08596	30.6
84.01267	4.9
84.08115	5.4
85.10161	17.8
91.05435	15.7
93.07020	28.2
95.08587	59.6
97.10149	20.5
98.21458	8.4
105.06991	24.0
107.08573	21.8
109.06493	5.9
109.10126	20.4
111.08074	5.5
112.11221	4.9
119.08516	8.6
120.10429	4.8
121.10118	21.3
123.08002	15.0
123.11643	5.4
131.08499	4.8
133.10124	22.7
135.11679	13.8
137.13165	6.6
149.13191	13.4
151.11154	93.2
155.14301	41.8
233.22554	11.9
235.20555	43.0
294.27896	35.0
303.26706	15.6
321.27841	18.6
335.58221	5.1
339.10611	8.4
339.20447	16.0
339.29034	100.0
340.28436	84.5
340.39648	6.9
351.90948	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	339.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	19.5
57.03423	6.0
57.07064	53.0
67.05486	29.1
69.07047	28.1
69.54185	54.6
69.54592	11.7
71.04978	26.5
71.08607	45.0
79.05466	20.6
81.07057	47.3
83.08603	9.2
85.10162	27.0
91.05457	9.1
93.07023	34.0
95.04951	8.1
95.08598	47.7
97.10108	7.6
98.20700	11.3
105.07002	17.8
107.08579	27.0
109.10136	17.5
119.08575	14.5
121.10146	32.3
123.08023	12.7
123.11732	7.8
133.10077	31.9
135.11650	19.4
137.13219	12.4
147.11659	11.7
149.09595	7.1
149.13229	12.9
151.11159	100.0
151.12277	12.1
155.14259	46.6
157.06461	13.8
164.11826	9.1
166.39088	6.1
171.72586	5.8
178.03654	6.2
211.74406	7.0
233.22620	21.5
234.78023	6.3
235.20518	58.2
261.94922	7.3
283.16888	36.3
284.17673	9.7
303.26813	17.1
311.19617	7.3
316.54788	7.0
321.27930	26.2
339.19418	28.1
339.23065	13.2
339.28510	19.9
339.34439	6.8
340.23157	7.9
347.36465	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	339.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
54.42375	0.5
55.01862	0.6
55.05489	2.2
57.07058	0.8
59.04996	0.7
61.02900	0.8
65.03932	1.0
67.05493	11.2
69.03410	1.8
69.07071	0.6
70.06561	0.6
71.04980	23.5
71.33698	0.6
71.34045	1.1
71.87656	0.5
79.05469	1.8
81.03390	0.8
81.07040	24.8
83.04987	0.5
85.02899	3.4
85.06525	4.2
86.09718	0.5
89.03912	0.9
91.05473	8.6
93.07014	0.5
95.04919	0.6
95.08576	2.0
97.02853	1.1
97.10158	0.6
99.08066	0.7
105.07002	1.0
106.56686	0.5
107.04903	0.7
115.05379	0.5
117.03375	1.5
119.04926	22.3
120.05267	1.1
123.04390	1.9
123.11686	6.1
133.06464	1.5
135.04417	2.2
136.06158	2.8
141.11600	1.2
141.12721	35.3
145.02826	3.9
147.04382	100.0
148.04750	4.5
148.05795	0.7
149.06004	0.5
159.13782	25.5
163.03877	9.6
164.07106	0.6
165.05481	1.0
177.01932	0.5
177.05455	8.3
177.14833	13.8
187.03873	0.8
203.03362	13.8
204.03647	0.8
215.03337	0.6
219.02840	2.4
231.02882	1.5
233.04338	0.8
237.05498	0.9
238.05289	0.6
239.79379	0.5
249.05415	0.5
261.03940	1.4
279.04953	3.1
291.04922	1.1
293.04254	1.1
311.05270	1.1
321.03748	1.4
339.04709	3.5
339.08609	0.5
339.10959	0.8
339.15518	1.8
339.19284	1.0
340.05066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1069
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
65.03902	0.8
67.05537	0.4
69.28434	0.4
70.46457	1.8
83.89643	0.4
91.05459	7.6
92.73768	0.4
115.96059	0.4
119.04920	23.4
120.05273	0.7
147.04381	100.0
148.04710	3.6
153.64186	0.4
168.14516	0.4
182.52434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06468	0.2
60.13832	0.2
61.32341	0.2
65.03936	0.7
69.48618	2.0
83.04964	0.6
91.05466	7.4
91.53593	0.2
92.05781	0.3
95.31863	0.2
109.74797	0.2
111.04473	0.4
119.04922	20.7
120.05243	0.8
125.97959	0.2
131.24527	0.2
142.45749	0.2
147.04382	100.0
148.04707	3.3
165.05463	0.6
219.02827	0.7
241.61069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1068
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
56.24485	0.3
57.44270	0.4
60.01431	0.3
60.97044	0.3
65.03926	1.1
71.58899	0.9
74.98739	0.3
83.04979	0.4
91.05458	10.0
92.05749	0.5
119.04919	25.5
120.05282	1.0
135.32623	0.3
145.02838	1.1
147.04382	100.0
148.04689	3.0
155.52658	0.4
177.05443	1.2
199.14665	0.4
230.75677	0.4
322.05246	0.8
339.04810	0.7
339.08432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17203	0.9
69.59007	3.0
69.59431	4.7
72.08144	1.0
79.05476	2.1
81.03402	0.8
91.05469	4.5
94.97965	0.8
95.04955	1.3
103.05444	1.3
105.07011	100.0
106.07352	3.4
111.04385	1.0
119.04915	14.1
120.08101	1.5
122.09646	63.7
123.09995	2.1
128.50520	0.8
135.04359	1.8
141.09177	0.9
145.02757	1.4
147.04382	52.6
163.03882	6.8
164.04259	4.2
176.07034	1.3
338.09341	2.4
339.04700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0837
Annotation	Thiazostatin A
Peak:m/z	Relative Intensity
62.10422	4.4
63.92528	5.4
71.80418	7.6
85.94236	4.7
94.92989	17.5
95.15285	4.6
96.24660	4.9
160.07494	14.6
182.60089	5.4
188.54955	5.3
204.87073	15.9
293.98511	5.0
339.08578	100.0
343.46796	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	339.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12285	0.4
65.03912	0.8
70.32683	0.9
70.33104	1.4
91.05460	8.5
97.06516	0.5
99.21801	0.5
100.17246	0.4
117.03327	0.5
119.04920	22.4
120.05279	0.8
135.04338	0.5
137.04936	0.5
139.03880	0.5
141.09093	0.6
141.22644	0.4
142.09377	1.0
145.02853	1.4
145.22057	0.4
147.04382	100.0
148.04712	3.6
163.03854	2.7
164.04132	1.0
165.04434	1.2
177.05438	1.9
186.89644	0.5
337.35611	0.4
339.04916	1.0
340.11594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.273
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.05492	14.5
57.07065	23.8
59.04982	4.1
67.05495	29.1
69.07070	15.3
70.42000	12.1
71.08611	26.5
79.05461	10.0
81.03403	4.9
81.07032	34.5
83.04952	4.9
83.08600	6.6
85.10152	13.0
91.05466	16.9
93.07015	25.7
93.42698	3.4
95.04949	5.4
95.08584	39.3
97.06507	4.4
97.10143	6.4
101.55581	3.2
105.07001	23.8
107.08572	26.0
109.10149	25.8
119.08558	100.0
119.57270	3.0
121.10123	28.2
123.08055	4.0
124.48666	3.6
131.08531	9.8
133.10112	12.9
135.11693	4.8
137.09570	8.5
147.11638	9.3
149.09586	71.7
155.10707	3.4
155.14302	17.7
192.33133	3.2
193.81949	3.6
207.17352	3.6
219.20944	6.8
223.20488	10.1
239.19908	4.5
242.35617	3.7
251.20102	5.0
259.24142	9.1
261.25739	5.9
279.29703	3.1
289.25183	12.7
301.25217	7.6
307.26212	61.1
319.26288	30.2
337.21506	3.9
337.27191	13.8
338.10147	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	337.252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33040	7.0
54.79827	7.1
55.05499	30.5
57.07059	17.2
66.69958	7.1
67.05496	52.1
67.33773	7.4
68.53246	6.4
69.07059	50.4
70.56614	7.0
70.65307	31.7
71.04979	34.6
79.05485	25.4
80.35285	7.4
81.07051	76.6
81.67548	7.9
83.08598	12.2
83.13896	8.2
83.30618	8.9
86.62093	7.7
89.06021	9.7
89.90692	7.7
91.05459	38.8
93.07037	53.7
95.04958	22.7
95.08598	100.0
96.08952	9.5
97.10154	9.8
105.07008	81.1
107.08570	48.0
109.06512	18.7
109.10134	42.0
117.07040	16.4
119.08571	91.8
121.10126	91.5
123.08035	15.2
123.11692	64.1
128.79567	8.4
129.06996	17.7
130.07701	8.1
131.08560	51.9
133.10115	43.8
135.08041	33.2
135.11597	9.6
142.07732	21.6
143.08543	29.4
145.10075	59.3
147.11652	21.5
149.09518	8.5
155.08511	15.0
157.10107	53.8
158.10829	10.4
159.11679	25.9
161.09607	31.2
161.13283	10.3
169.10107	17.8
170.10762	7.9
171.11707	31.9
173.13255	27.2
175.11224	9.5
175.14795	26.3
177.16322	9.0
181.10074	10.9
183.11668	30.4
185.13202	15.9
187.14789	16.6
197.13206	41.6
199.11079	8.2
199.14888	9.5
201.12764	13.9
201.16409	20.6
209.13255	8.0
209.80759	8.4
211.14845	10.6
215.14255	12.5
223.14717	17.5
239.17934	15.8
253.19615	16.4
257.19034	9.2
279.20972	15.9
281.19009	10.1
319.23993	13.7
337.24673	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	337.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	0.9
53.03934	2.6
55.01633	1.0
55.01854	6.0
55.05498	21.4
57.03427	15.6
57.07064	19.8
59.04976	1.3
61.02911	3.4
67.05492	19.3
69.03417	17.2
69.06686	0.9
69.07053	14.2
69.77028	0.7
71.01339	4.3
71.04985	10.0
71.08606	1.4
73.02908	9.6
73.06542	3.2
73.38482	0.7
75.04481	1.4
79.05476	28.9
81.03391	4.1
81.07039	35.0
83.04964	9.1
83.08611	7.3
85.02888	12.1
85.06522	25.0
86.06851	0.7
87.04443	4.3
87.08108	1.7
89.06009	0.9
90.88937	0.8
91.05459	16.7
93.07030	17.1
95.04936	5.0
95.08591	12.4
97.02863	2.5
97.06514	6.1
97.10152	2.2
98.21474	2.8
99.04455	5.3
99.08066	3.9
103.03918	4.6
103.07567	2.4
105.04559	0.9
105.06998	4.0
107.04978	1.0
107.08569	10.8
109.06496	21.6
109.10136	2.0
111.04435	5.0
111.08060	35.4
113.06004	1.4
115.03886	4.5
115.07549	3.3
117.06997	3.4
121.10117	1.3
123.08050	4.0
125.09609	6.1
127.07526	15.3
129.05432	2.3
129.09085	3.2
133.04935	0.9
133.10104	30.9
134.10439	0.9
135.07155	0.8
135.08012	5.4
137.09540	0.9
141.09062	3.0
145.08586	1.6
149.09593	100.0
150.09959	2.7
153.09081	24.6
156.20631	0.8
165.09129	1.0
171.10144	29.9
189.11192	10.9
190.12160	0.9
230.27425	1.1
230.29529	1.1
297.93549	0.8
337.27252	7.1
344.79379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1639
Annotation	8'-Hydroxyzearalanone
Peak:m/z	Relative Intensity
50.01629	2.6
50.84560	2.3
55.01844	2.9
55.05506	30.7
57.07063	15.0
63.88959	3.0
67.05488	24.2
69.07057	41.4
71.04959	4.7
71.08618	9.5
71.81129	3.3
79.05470	6.8
81.03371	4.0
81.07037	27.1
83.08607	15.1
85.06537	3.6
85.10170	4.0
88.74070	2.8
91.05458	5.0
93.07026	8.1
95.04951	15.9
95.08601	13.3
95.73815	2.5
95.93022	3.0
96.05738	5.7
97.06513	4.1
97.10162	3.8
102.52207	2.7
103.31219	2.7
105.07018	10.7
107.04959	5.0
107.08567	8.7
109.02840	5.3
109.06503	6.8
109.10141	13.7
119.01283	3.1
119.08563	4.3
123.04451	5.3
123.08062	4.9
123.11665	7.0
131.04930	3.4
131.08447	2.9
133.10127	5.0
135.04414	6.0
135.11653	3.9
137.02336	6.2
137.09552	6.9
143.04871	5.9
149.02327	7.3
149.06033	4.1
149.09558	3.3
151.03879	4.1
152.78940	3.2
161.02341	8.1
161.05965	5.0
163.03860	29.9
165.01808	64.3
165.09099	9.2
167.03403	11.7
175.03917	3.9
179.03366	44.6
180.11401	28.6
181.01280	100.0
181.04814	2.9
181.06419	3.0
185.05939	6.0
189.05469	6.3
191.03365	28.5
193.04944	7.1
195.02861	36.9
197.05975	4.3
199.07532	4.5
203.07079	8.3
205.04921	8.3
207.02856	78.2
208.03281	3.1
209.11653	3.6
213.05505	3.3
215.07007	5.2
217.04982	16.0
217.08443	3.9
223.13193	5.2
227.06969	4.5
231.06465	11.2
241.08481	3.2
245.08073	3.2
255.13876	7.0
265.12256	6.8
273.14804	13.4
280.09756	5.1
283.13266	13.7
292.06100	3.5
301.14301	22.8
319.15335	21.3
319.22711	5.0
319.26218	3.8
337.23746	5.0
337.73752	3.8
338.06546	5.2
338.10269	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	337.0912
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
50.67379	0.4
50.99854	0.4
53.03926	1.0
55.05485	0.5
60.28571	0.4
63.02361	0.4
65.03902	1.4
67.05491	2.2
69.03423	2.2
69.07053	0.6
69.50732	1.2
69.51154	3.0
70.41792	0.3
76.36710	0.3
79.05455	1.3
81.03376	0.7
81.07050	0.9
81.94035	0.4
83.04966	0.8
85.02875	0.6
89.03902	6.4
91.05464	0.9
93.03400	0.9
93.07003	0.7
95.04387	0.6
95.04952	10.5
95.08589	0.5
97.02882	0.5
107.04929	2.8
107.08578	0.6
109.02849	0.7
111.04417	4.0
117.03355	8.9
119.08590	0.4
121.02831	1.2
126.09137	1.2
127.03885	0.6
135.04385	19.7
136.23114	0.4
137.02315	12.1
137.03319	0.5
139.03874	7.1
145.02817	12.9
147.07991	0.5
155.03378	5.7
163.03873	100.0
164.04192	2.3
166.05000	2.2
167.03368	3.2
181.04953	3.4
194.04518	0.7
212.05585	0.6
263.03375	1.2
291.02692	0.5
291.17569	0.4
294.05191	1.8
301.11716	1.0
306.29321	0.5
309.07440	1.1
337.03104	0.8
337.09570	10.9
337.17621	0.6
337.21362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17391	0.8
54.39560	0.8
68.29417	0.8
69.94370	4.5
77.94823	0.9
81.28515	0.8
84.75960	0.8
94.92999	6.3
96.92828	4.9
98.21319	1.6
98.92576	0.8
116.34901	0.9
119.64451	0.7
128.31540	0.8
150.91933	3.9
156.88507	22.9
174.89561	21.0
204.86969	3.9
206.86826	3.4
208.86636	2.2
216.90623	1.0
246.91571	1.1
258.91791	1.1
260.00290	0.9
276.92758	4.0
318.90250	1.9
318.93713	15.6
336.94791	100.0
337.95233	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0913
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.03928	0.4
62.78164	0.3
63.02356	0.3
63.51016	0.3
70.32658	1.3
77.03897	0.3
79.05476	1.0
89.03903	7.7
89.17944	0.3
89.56618	0.3
95.04951	4.2
107.04946	2.5
111.04433	0.6
117.02528	0.6
117.03363	9.1
121.02837	0.8
135.04399	20.6
136.04742	0.6
139.03868	0.7
145.02823	13.1
146.03172	0.4
151.22533	0.3
163.03879	100.0
164.04211	3.3
181.04951	1.6
319.08295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01855	4.4
55.05500	61.3
57.03434	4.8
57.07062	31.6
58.06594	1.8
59.04958	1.6
65.03902	2.0
67.05493	63.1
68.05814	2.0
69.07055	92.7
70.06590	1.9
70.07394	2.7
70.91896	4.9
71.04974	3.4
71.08620	16.2
72.04498	4.1
72.08141	2.9
79.05481	17.4
81.07041	100.0
82.07364	2.0
83.04969	4.4
83.08607	60.6
84.08123	4.3
85.06512	2.3
85.10170	8.2
86.06042	6.8
86.09672	2.1
89.06017	6.3
91.05445	12.1
93.07027	25.7
94.07358	2.4
95.04943	2.9
95.08594	96.2
96.08929	5.5
97.06525	13.1
97.10155	44.8
97.11169	1.8
98.10500	2.1
99.08070	2.0
100.07615	14.5
105.06381	1.9
105.07007	12.2
107.08572	19.0
108.08900	2.3
109.06504	4.1
109.10140	53.3
111.08067	8.4
111.11724	14.3
114.09168	9.3
119.08572	13.3
121.10121	20.0
122.10451	3.3
123.11684	27.3
125.09603	4.4
125.13242	3.9
128.10677	8.0
133.10106	14.2
135.11661	19.4
137.13243	12.9
139.11154	3.3
140.10704	2.3
142.12241	5.7
147.11655	9.7
149.13245	10.4
151.09636	7.7
151.14801	4.5
153.12688	3.4
156.13762	4.7
161.13158	8.8
163.14738	5.7
165.12747	2.3
165.16345	2.0
170.15349	5.5
175.14795	6.4
177.16345	3.8
179.14236	2.3
179.17937	3.1
181.15773	2.3
184.16966	3.3
189.16364	3.4
191.17889	2.9
193.15820	1.9
198.18452	2.9
203.18111	2.5
205.19485	4.2
211.91605	2.3
212.20050	3.7
219.20990	2.4
221.22711	4.1
224.20003	2.2
226.21671	2.5
235.20599	3.5
235.24193	4.3
238.21591	2.9
240.23068	3.4
254.24576	2.3
263.23694	1.9
266.24771	2.3
301.28851	26.6
319.29922	80.1
320.30185	8.2
331.82736	2.0
336.26440	9.2
336.32584	57.6
337.30841	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69580	1.4
53.03928	2.5
55.01870	3.3
55.05502	51.0
56.05838	1.5
57.03178	1.3
57.03430	9.3
57.06830	2.2
57.07067	26.7
65.03923	3.2
67.05492	78.7
68.05824	7.8
69.03407	1.8
69.07056	66.0
69.62562	15.0
70.06585	2.7
70.07396	3.1
71.04969	2.2
71.08612	19.0
72.04504	1.9
72.08140	3.7
79.05015	2.1
79.05478	28.6
80.05806	4.0
81.07041	100.0
82.07375	7.4
83.04964	3.4
83.08605	49.6
84.08113	3.7
84.08899	2.1
85.06498	2.4
85.10169	8.0
86.06041	5.7
89.06003	11.3
91.05467	15.8
92.05771	3.7
93.06486	2.5
93.07030	33.7
94.07343	6.7
95.04928	4.6
95.08592	85.3
96.08926	9.1
97.06524	9.8
97.10150	32.1
98.09705	3.5
99.08046	2.7
100.07593	11.9
105.07009	20.8
106.07339	2.1
107.08569	18.3
108.08912	3.2
109.06480	4.3
109.10143	42.5
110.10471	5.1
111.08044	7.5
111.11684	10.2
114.09138	5.3
119.08537	12.7
120.08911	3.0
121.10134	23.2
122.10439	5.3
123.08053	3.2
123.11691	19.4
124.12038	2.3
125.09605	5.8
125.13261	2.7
128.10684	3.2
131.08530	3.4
133.08577	2.5
133.10097	14.7
135.08087	1.9
135.11681	18.9
136.12061	2.1
137.09595	3.7
137.13203	8.0
139.11147	3.6
142.12288	3.1
145.10120	2.0
147.11662	10.9
149.09610	2.6
149.13223	9.1
150.13571	2.8
151.09624	10.7
151.11041	2.6
151.14784	3.3
153.12689	2.9
155.14282	1.9
156.13826	3.6
159.81776	1.5
161.13188	10.0
163.14784	5.5
165.12735	1.8
165.16429	3.5
168.13718	1.5
170.15329	3.5
174.13538	1.5
175.14735	7.2
177.16321	2.2
179.14294	1.7
189.16409	2.8
193.15714	2.5
198.18550	1.8
205.19472	2.2
207.17584	1.5
207.20970	1.8
212.20003	2.3
219.20982	3.5
221.22639	2.8
226.21536	1.8
235.20653	1.8
235.24243	3.3
240.23254	3.5
249.22035	2.4
251.20049	1.5
251.44995	2.0
254.24825	3.6
262.22388	2.7
301.28833	26.4
302.29102	2.5
319.26587	3.1
319.29913	47.6
320.30289	6.3
336.26135	39.7
336.32462	36.6
337.26770	6.9
337.32883	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	335.2938
Annotation	DTrE
Peak:m/z	Relative Intensity
55.05507	8.1
57.03413	2.6
57.07063	21.5
67.05492	13.0
69.07057	7.7
69.53445	13.9
69.53867	3.0
71.08623	24.0
72.08121	5.1
73.08464	2.0
78.86550	1.3
79.05463	5.8
81.07045	22.8
82.07357	1.8
83.08585	2.9
85.10170	14.7
87.04303	1.4
89.05971	2.1
91.05431	3.7
93.07006	5.0
95.04964	2.9
95.08592	24.2
97.10120	2.7
98.05998	3.8
105.07008	3.1
107.08530	3.6
109.06461	2.2
109.10110	4.2
119.08516	2.6
119.91064	1.3
121.10118	2.1
131.08450	1.6
133.55634	1.6
135.11630	3.0
137.13188	3.1
147.11635	2.9
149.09663	1.8
155.14296	9.6
209.37970	1.4
224.72531	1.5
238.72058	2.0
308.69147	1.6
317.28238	1.4
335.25760	6.8
335.29245	100.0
336.29434	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	336.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.4
55.05502	7.4
56.42415	1.9
57.07065	40.8
66.05045	1.8
66.66096	1.7
67.05495	16.7
68.60521	1.7
69.07053	13.7
70.06548	3.3
70.72231	6.9
71.08617	50.5
72.08137	1.8
79.05486	3.5
81.07039	39.4
83.04977	2.3
83.08586	4.1
84.26589	1.8
85.10163	28.1
86.09724	2.3
91.05478	5.5
93.07027	5.3
95.08591	35.6
105.03369	2.9
105.07017	2.5
107.04913	4.4
107.08591	3.6
109.06496	2.5
115.05422	3.1
119.04967	2.1
119.08540	2.6
123.04387	4.0
129.06972	3.8
133.06508	3.0
135.04405	8.1
135.11687	3.3
137.05962	8.6
137.13255	6.0
143.04970	3.8
147.04385	12.2
149.05927	6.0
151.07547	5.1
153.12689	4.8
155.14284	79.7
157.06471	3.0
161.05981	8.6
163.03871	11.8
164.07021	3.2
165.05443	36.4
165.07449	4.5
166.05785	1.7
166.07677	3.5
167.07056	3.3
169.87216	1.9
174.06682	3.7
175.07523	6.2
177.05496	2.2
179.07043	2.3
181.04915	16.1
185.50865	1.7
189.05458	14.2
189.09074	2.8
191.06975	3.8
203.06967	6.7
207.06540	11.6
217.08614	2.6
221.18790	2.0
228.93770	1.9
263.49295	2.1
267.31433	2.6
273.18591	4.1
283.16870	2.5
291.19525	13.2
301.18033	14.9
319.18988	100.0
320.19281	4.1
336.02158	3.3
336.08755	5.9
336.21597	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	336.2526
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
53.03932	0.7
55.01860	0.7
55.05502	1.3
56.05019	2.0
57.07067	4.8
61.99326	0.5
63.79441	0.5
67.05487	2.4
68.05008	1.7
68.20390	0.6
69.07050	2.4
69.89897	3.1
70.02921	1.9
70.06561	1.0
71.08611	6.2
79.05465	1.1
81.07043	4.9
82.06556	1.0
83.08613	0.7
85.10185	2.8
91.05466	2.5
93.07024	5.1
94.06529	1.2
95.04944	1.5
95.08595	4.7
96.04466	0.9
96.35835	0.6
98.06039	1.1
103.05434	1.8
105.07052	0.7
107.04943	0.6
107.08572	0.8
109.06474	0.6
109.10117	0.7
112.07593	0.6
120.08063	0.9
121.06479	33.6
133.10057	0.7
135.04387	3.3
146.09613	1.2
155.14302	0.9
163.03888	1.3
163.07625	0.7
164.10686	4.4
182.11734	7.8
185.06026	1.1
192.17465	2.2
198.18466	7.0
203.08559	0.7
209.05972	0.6
210.18495	26.7
211.18779	1.4
258.22092	0.8
266.05710	0.6
267.06619	1.1
289.08536	1.7
300.23245	1.6
318.24203	9.4
319.09445	0.9
336.25266	100.0
337.10535	0.7
337.25610	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	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.77085	0.6
53.03931	2.9
55.05500	17.5
56.05854	0.6
57.03148	1.0
57.03424	17.6
57.07053	2.8
60.83561	0.6
65.03914	2.3
67.05492	63.5
68.05820	2.2
69.07056	13.8
70.07395	0.8
71.04977	0.9
71.08583	0.7
79.05479	30.5
80.05807	1.1
81.07040	59.1
82.07375	2.2
83.04971	1.1
83.08596	5.5
84.93793	0.6
85.06526	1.4
91.05463	16.3
93.07029	33.0
94.07315	1.1
95.04956	3.3
95.08588	44.5
96.08906	1.6
97.06511	2.2
97.10147	1.9
98.20720	1.7
105.07013	9.9
107.08571	17.1
108.08884	0.7
109.06488	1.5
109.10139	18.1
111.08056	1.2
117.06979	3.4
118.15937	0.6
119.08559	9.2
121.10118	12.9
123.08078	1.4
123.11683	5.6
131.08525	5.2
133.10109	5.9
134.10471	0.7
135.10759	0.7
135.11679	9.0
137.13240	1.5
145.10100	3.7
147.11642	2.8
148.11867	0.6
149.13239	3.5
149.78046	0.6
159.11670	2.9
161.13251	3.3
163.14787	1.8
173.13240	2.3
175.14796	1.0
187.14835	1.2
201.16206	0.8
212.31691	0.7
243.21034	1.9
261.22128	3.2
289.11032	0.8
317.24823	1.7
335.25745	100.0
336.26074	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03932	2.5
55.01858	0.9
55.05265	1.2
55.05505	14.0
57.03432	16.5
57.07055	2.1
65.03916	3.1
67.05493	71.3
68.05809	1.3
69.07059	15.8
71.04984	1.9
79.05482	28.7
80.05811	1.1
81.07045	59.0
82.07372	1.8
83.04959	1.6
83.08605	6.3
85.06546	1.2
91.05466	14.1
93.07033	37.0
94.07360	1.2
95.04948	3.2
95.08596	55.3
96.08920	1.8
97.06508	3.0
97.10144	2.6
98.21446	2.2
99.08080	1.5
105.07021	10.6
107.08585	17.6
108.08961	1.0
109.06506	1.3
109.10146	17.8
110.10488	1.3
110.63398	1.0
117.07005	4.5
119.08559	7.7
121.10117	15.1
123.08059	1.6
123.11697	6.4
131.08533	6.0
133.10118	5.6
135.11668	10.4
137.13213	2.7
137.59253	1.1
138.08142	0.9
145.10138	4.6
147.11603	4.7
147.73270	1.3
149.13234	5.6
159.11644	2.6
159.43623	0.9
161.13223	4.2
163.14793	2.3
173.13260	3.1
187.14771	1.4
199.64020	0.9
222.54221	1.0
235.14786	1.0
243.20998	1.1
261.22064	6.8
281.42932	1.0
335.25745	100.0
336.26062	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	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	2.4
55.01857	1.4
55.05501	20.8
57.03428	16.4
57.07058	2.6
65.03929	3.3
65.68683	0.5
67.05493	77.8
68.05845	1.0
69.03426	1.1
69.07054	21.6
69.74471	2.5
69.74899	2.1
71.04970	1.7
71.08607	1.2
72.65031	0.6
77.03915	0.8
79.05479	42.3
81.03414	1.6
81.07041	63.9
82.07393	1.2
83.04983	1.2
83.08607	8.7
85.06517	1.4
85.10182	0.9
89.62730	0.5
91.05462	20.3
91.06026	1.3
92.05795	0.9
93.07027	41.2
94.07362	1.7
95.04944	6.3
95.08588	51.4
96.08937	1.0
97.06519	3.4
97.10165	2.6
98.20750	1.4
98.98447	0.8
99.08106	0.9
105.04511	0.7
105.07007	13.1
107.04939	1.0
107.08575	20.8
108.08953	0.7
109.06516	1.7
109.10141	19.5
111.08082	1.6
117.07024	3.7
118.82339	0.5
119.08554	10.1
121.06496	1.1
121.10120	17.5
123.08062	1.8
123.11697	5.5
125.09625	0.8
131.08560	6.0
133.10104	8.5
135.08038	0.6
135.11665	8.1
137.09647	1.2
137.13243	1.8
137.74693	0.6
143.08586	0.8
145.10092	5.9
147.07944	0.9
147.11668	5.5
149.09561	1.0
149.13240	4.1
150.44298	0.6
151.11169	0.8
152.07796	0.6
157.10065	0.8
159.11656	4.2
161.13242	3.1
163.11096	0.5
163.14789	1.5
169.10066	0.6
173.13281	3.2
175.11183	0.7
175.14804	1.2
177.12802	0.6
185.13126	0.6
187.14752	1.4
243.21048	1.3
259.70483	0.6
261.22101	2.3
317.24661	1.1
333.24744	0.6
335.25763	100.0
336.26028	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	335.2059
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
53.03947	7.3
54.35962	1.0
55.05494	6.9
55.39312	1.1
57.03428	5.1
57.07064	22.5
59.69588	1.2
66.03476	1.3
67.05508	6.9
69.03420	11.5
69.07059	6.7
71.04983	4.2
71.08621	43.3
71.54859	2.8
81.03407	100.0
81.07042	23.3
82.03761	2.6
82.06580	2.5
83.04980	2.4
83.08614	4.7
84.08141	1.8
85.02892	18.3
85.06512	1.8
85.10164	20.4
88.11247	1.9
90.94846	1.1
92.77514	1.2
93.07037	2.4
93.15170	1.3
94.13964	1.2
95.04942	2.6
95.08589	27.5
95.09180	1.8
97.02898	1.7
97.06487	1.5
97.84720	1.1
99.04444	10.7
100.11244	8.1
105.07006	2.6
107.08595	3.8
109.02866	92.3
109.10153	4.0
110.03175	1.9
111.04428	2.8
119.08556	2.2
121.10165	2.8
123.11720	1.6
127.03900	11.3
133.10101	2.0
137.13251	5.1
141.11504	3.3
145.04953	5.7
145.10124	2.4
147.11708	1.9
149.09654	1.2
155.14282	46.1
155.25034	1.1
156.14685	2.6
159.11687	1.5
160.15811	1.3
163.06026	4.2
165.05420	1.2
170.15405	6.3
173.15359	4.0
182.15396	3.5
198.14938	3.7
199.18031	1.6
209.16542	2.0
210.14891	4.0
212.66199	1.7
213.16313	1.6
218.66211	1.7
252.92357	1.5
262.21506	6.0
299.18649	3.8
314.27945	2.8
317.19510	11.0
317.25076	1.7
325.74619	1.6
326.27866	1.9
335.22412	1.6
335.25949	2.1
336.08698	1.6
336.13089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01872	1.2
55.05502	18.2
57.03428	17.4
57.07071	6.0
63.04519	0.7
64.65174	0.7
65.03935	2.6
67.05492	63.2
68.05827	0.9
69.03424	1.6
69.07056	19.0
69.07411	1.3
71.04983	7.3
71.08633	2.6
71.81487	1.1
79.05479	35.8
81.03384	1.2
81.07043	64.5
83.04975	3.0
83.08614	8.4
85.06543	2.4
85.10166	0.8
91.05466	27.2
91.06026	1.5
93.07030	45.2
95.04951	10.3
95.08595	48.2
96.08920	0.8
97.06498	4.8
97.10149	2.0
102.48082	0.9
103.44273	0.7
105.07014	32.2
106.07396	0.9
107.04935	0.8
107.08578	29.2
109.06486	3.8
109.10142	23.5
111.08121	1.9
115.05434	1.1
116.06245	2.5
117.06992	9.0
119.08567	29.5
119.09377	1.8
121.06503	1.5
121.10129	20.3
121.10934	1.1
123.08060	3.9
123.11658	7.2
128.06256	1.9
129.06952	4.2
130.07787	1.9
131.08537	25.8
132.08881	1.3
133.10112	29.0
135.08041	4.8
135.11649	11.2
137.09656	3.0
137.13292	1.2
141.07034	1.4
142.07751	5.0
143.08543	9.3
144.09354	1.8
145.10098	18.0
145.11172	1.1
147.07997	2.1
147.11682	8.6
149.09612	4.3
149.13214	7.1
151.11203	1.2
151.14877	1.2
155.08521	4.4
156.09348	4.9
157.10109	10.9
157.11188	0.9
158.10925	4.8
159.11661	8.9
161.09576	3.8
161.13271	3.8
163.11165	2.0
163.14819	2.1
165.07040	2.2
167.08577	1.7
169.10056	4.8
170.10959	1.4
171.11661	9.0
173.13239	19.7
175.11234	1.4
175.14790	7.6
179.08528	1.4
179.14383	1.2
180.09340	1.5
180.96729	0.8
181.10112	2.3
182.10880	1.1
183.11713	2.8
185.13240	4.2
187.14780	9.1
193.10162	3.3
194.10779	1.3
195.11679	4.8
196.12549	1.3
197.13298	5.2
199.14795	7.4
201.16481	1.3
201.28986	0.9
207.11758	3.4
208.12515	1.3
209.13237	4.5
211.14838	4.5
212.15610	3.3
213.12790	1.9
215.14337	1.1
221.13243	4.5
223.14807	1.7
225.16379	1.0
235.14830	1.9
237.16254	1.6
243.17528	1.0
243.21184	2.0
249.16515	1.2
251.17944	1.9
252.18861	1.2
261.22076	5.7
265.19638	1.1
277.19623	3.6
289.11295	0.9
292.21756	1.9
294.62253	0.8
317.24844	3.4
335.25916	100.0
336.26135	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	335.133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62227	0.7
53.03944	4.9
55.01862	1.0
57.03413	2.4
57.32532	0.8
57.38173	0.8
61.02908	3.1
67.05495	0.9
69.03083	1.1
69.03423	16.0
71.04974	5.4
71.68539	1.0
81.03401	26.9
83.04960	1.1
83.20162	0.7
85.02889	62.1
85.69939	0.7
86.03210	1.4
95.04948	0.8
97.02847	3.5
99.03784	1.5
99.04437	30.5
103.03924	66.4
104.04230	1.3
109.02859	22.7
109.10157	0.8
127.03892	100.0
128.04218	2.3
133.02847	1.6
145.04935	11.4
155.07040	1.5
155.10564	0.8
163.03755	1.1
163.06003	1.7
179.03334	3.2
181.07564	0.9
187.05989	9.6
233.10165	2.2
245.09119	0.8
253.07013	3.3
271.08105	1.9
287.10126	6.8
288.10580	1.0
317.11234	4.3
335.12433	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36486	0.8
53.00276	1.2
65.03932	2.0
67.05495	6.2
69.03410	1.0
69.07059	100.0
69.46686	8.8
69.47100	2.5
71.85255	1.0
78.23460	0.8
79.05473	2.2
80.04996	1.7
81.03399	1.0
81.07047	8.8
83.04973	1.2
86.06044	3.8
91.05438	1.3
92.04984	4.3
93.07024	1.8
94.06558	2.8
95.04945	1.8
95.08611	2.2
96.08096	1.4
97.06517	17.6
105.07009	2.4
107.08576	2.7
109.06496	1.3
109.10143	4.6
110.06039	0.9
112.44862	1.0
119.03647	1.1
121.06515	1.1
121.10074	1.2
122.06024	7.9
124.07545	1.8
128.06210	1.1
131.07281	1.3
131.08563	1.3
131.78506	0.9
132.04494	0.9
133.10132	2.2
137.05957	3.5
138.05482	6.1
140.07039	8.3
144.08052	3.1
145.08861	2.1
145.10037	1.7
146.09599	3.8
148.03888	1.5
150.05481	83.7
151.05797	1.2
151.11168	1.3
152.03459	1.1
152.07031	1.4
157.08847	3.6
158.09589	1.5
160.07593	1.4
161.08345	3.4
162.09161	2.2
164.03378	1.4
166.04982	33.1
167.07219	1.3
172.07578	1.6
172.11185	5.4
173.08318	2.6
174.09175	1.9
174.12752	7.0
176.03413	8.0
178.05035	1.4
185.08321	2.3
186.07568	1.7
188.10828	1.9
190.12224	4.5
194.04477	3.6
200.10693	7.1
202.12262	9.1
204.06429	0.9
212.95869	0.9
213.10217	1.5
216.10156	4.6
218.08263	2.3
218.11731	31.0
218.13712	1.9
222.14859	1.9
227.11728	1.4
228.10181	17.2
229.13094	2.2
230.11597	1.2
234.11249	3.8
240.27319	1.1
243.11366	1.2
244.09721	2.8
245.12927	2.6
246.11234	26.8
256.09756	1.2
257.09152	1.7
261.08707	1.1
262.10785	1.5
271.10837	3.8
272.09140	3.7
273.12256	3.8
274.10745	3.1
287.10275	8.1
289.11749	11.3
291.13373	1.6
299.10217	5.9
317.11288	36.8
317.18756	1.9
335.12350	33.8
335.19775	7.7
336.12759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0731
Annotation	GroPIns
Peak:m/z	Relative Intensity
56.16221	1.8
56.67414	2.1
62.20705	2.4
70.39098	7.8
70.39510	4.6
78.75999	2.2
90.29172	1.9
115.32481	2.0
118.29730	2.0
137.23624	1.9
145.87466	1.9
156.64709	2.2
182.92500	2.2
217.68697	2.0
251.85132	2.2
335.07321	100.0
336.07639	4.7
357.33383	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95932	1.3
62.82032	1.3
70.44652	5.3
78.00999	1.6
81.72112	1.2
127.94996	1.2
146.24957	1.3
162.03113	1.6
335.07333	100.0
336.07755	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	334.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01870	5.4
55.05502	11.9
56.37143	1.8
57.00986	1.8
57.03418	9.5
57.07057	9.8
61.77580	1.8
65.03899	1.6
67.05130	2.3
67.05489	41.8
69.07047	16.0
69.34956	1.7
70.16827	9.8
71.04986	2.5
71.08621	16.6
72.04502	65.5
79.05476	20.4
81.07040	45.6
83.04966	2.4
83.08604	5.3
85.06512	3.6
85.10220	1.9
89.06053	3.0
91.05460	16.8
93.07027	30.6
95.04942	16.1
95.08591	48.8
97.06492	6.2
97.10138	2.2
98.98441	2.9
99.08073	5.5
100.07602	3.3
105.07014	16.5
107.08571	21.4
109.06498	24.8
109.10141	15.2
111.56703	1.7
114.09128	17.9
117.07024	2.8
119.08535	12.6
121.06457	4.3
121.10121	11.4
123.08093	3.1
123.11671	5.5
128.10735	7.2
131.08522	9.1
133.10123	11.4
135.08081	3.6
135.11717	8.9
137.09549	2.3
137.13274	2.0
142.12267	5.4
145.10086	4.4
147.08020	3.7
147.11676	6.7
149.13232	9.3
151.09639	1.8
155.14214	1.9
159.08047	1.9
159.11652	5.8
161.13242	4.5
163.11183	3.8
165.12721	100.0
166.13150	3.4
173.13286	7.5
175.11235	4.6
179.14278	2.1
180.13823	2.7
182.15408	13.7
184.13310	2.4
187.14789	3.1
191.14311	7.4
194.15352	2.5
197.13136	1.8
201.12787	5.9
212.16403	12.2
220.16917	13.8
229.19537	2.4
229.64648	2.1
236.20044	40.6
237.20467	3.7
261.22079	3.7
271.20581	8.2
289.10925	2.0
289.21585	9.2
316.26312	10.4
317.24747	3.9
334.14883	2.2
334.24139	2.6
334.27368	72.0
335.25638	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26318	0.4
55.01854	0.9
55.05484	1.6
56.05024	2.5
57.03412	0.5
57.07067	5.0
65.03902	0.4
67.05496	2.2
68.05000	1.3
69.07058	3.6
70.02930	1.8
70.05475	2.3
70.06589	2.5
71.08624	6.9
72.04495	0.4
72.08152	0.5
73.23143	0.4
79.05478	2.3
80.05008	1.3
81.07040	10.4
82.06576	1.9
83.04972	0.9
83.08591	0.7
84.04481	1.3
84.08144	0.7
85.10166	3.1
89.48932	0.4
91.05482	2.2
93.07016	1.2
94.06554	1.8
95.04932	1.2
95.08590	4.7
96.04474	0.5
97.06543	0.6
97.10179	0.4
98.06031	2.9
98.98466	0.9
105.07040	0.8
107.04922	1.3
107.08578	0.7
108.08087	0.6
109.06504	7.7
109.10154	0.6
111.04408	0.6
112.07585	1.1
117.07020	0.5
117.07805	0.4
119.04939	0.5
121.02879	0.6
121.06481	1.0
121.10098	0.4
131.08472	0.5
135.04367	0.5
137.05956	19.5
138.06259	0.5
145.06473	0.5
146.05833	0.5
155.14308	1.4
162.09113	4.3
164.07018	0.7
172.07568	1.0
176.56500	0.5
180.10168	8.8
181.10486	0.6
185.08261	0.5
192.17465	1.2
198.18513	9.9
199.18953	0.4
206.18965	2.3
210.18507	10.8
211.18816	0.6
224.20067	5.0
225.15761	0.6
289.11130	0.6
298.21652	0.6
316.19644	1.3
316.22836	1.4
333.75974	0.4
334.23718	100.0
335.24017	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	334.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93595	0.4
53.48427	0.4
55.05512	0.4
56.05019	1.4
57.03439	0.5
57.07067	1.9
65.03923	1.7
67.05482	1.6
69.07049	0.5
71.06494	0.7
71.06867	0.8
71.08628	1.7
79.05476	1.4
80.79732	0.3
81.07049	4.3
82.06575	4.4
83.08598	0.5
85.10162	1.0
91.05470	42.9
92.05806	1.0
93.07023	1.2
95.08607	2.4
97.10136	0.3
107.08604	0.5
109.06512	2.9
109.10153	0.6
115.80025	0.4
119.04926	21.6
120.05269	0.5
123.04405	0.9
133.10132	0.4
137.05960	69.0
138.06296	2.1
164.07095	1.7
165.12816	0.4
180.10130	1.7
198.18510	27.5
199.18820	1.1
210.18512	0.9
278.21185	0.6
334.23727	100.0
335.23883	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	334.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69773	0.5
53.03925	1.0
55.01862	1.1
55.05511	5.0
57.03416	1.8
59.04984	0.7
61.02908	2.4
65.31499	0.5
69.03416	6.9
70.06590	0.7
70.63255	0.5
71.04971	2.2
71.19052	1.0
71.19395	1.2
72.08107	0.7
73.02907	0.7
77.32604	0.6
79.05473	1.8
81.03400	2.4
81.06587	1.0
81.07047	14.3
83.08612	6.0
84.08140	1.1
85.02361	1.0
85.02890	17.8
85.06534	2.7
85.95369	0.5
91.03957	1.4
91.05472	0.9
93.07026	0.7
97.02874	6.3
98.06033	1.5
98.09698	2.8
99.04430	1.8
99.08080	1.5
103.03917	2.4
108.08111	3.2
109.02839	2.1
109.06506	13.2
110.06030	0.6
110.06792	0.6
110.09692	0.7
126.05489	0.8
126.09135	41.8
127.03907	7.1
127.07540	13.9
127.09485	1.3
136.07567	1.3
137.05952	2.7
145.04903	2.8
154.08604	54.3
155.07007	27.9
155.08986	1.6
156.07367	1.0
169.40884	0.6
172.09663	100.0
173.10054	2.7
221.10364	0.5
308.15869	0.5
316.13965	0.7
317.11090	0.8
334.14896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2782
Annotation	Garcinielliptone N
Peak:m/z	Relative Intensity
51.73728	2.3
51.90170	2.4
55.05491	11.3
57.07066	62.7
67.05491	24.5
69.07052	24.5
69.97141	17.1
71.08617	81.7
79.05476	15.0
81.07036	100.0
83.08600	9.6
85.02883	12.0
85.06515	3.3
85.10161	48.6
89.06003	6.3
91.05469	9.4
93.07020	24.7
95.04939	4.0
95.08586	69.3
97.06493	5.1
97.10161	2.7
98.21472	3.6
98.98431	18.7
99.04378	2.7
105.07015	37.6
107.08554	17.2
109.06499	7.7
109.10123	12.6
111.04398	3.4
117.06998	5.8
119.08549	20.7
121.06493	8.8
121.10106	5.6
123.08059	15.0
123.11672	5.3
125.99865	2.9
129.06926	3.0
131.08568	10.0
133.10126	9.9
135.08011	6.8
135.11674	8.9
137.09625	3.5
137.13248	15.5
145.10104	7.7
147.11676	5.0
151.09599	4.3
155.14268	51.2
159.11662	9.0
161.13202	19.4
161.45134	3.2
165.12621	3.5
177.12778	6.0
179.14307	10.9
197.15414	6.4
211.16951	5.9
220.74236	2.8
223.16911	2.9
231.06648	3.9
237.22063	13.2
246.62395	2.7
247.20587	7.5
249.22243	4.3
259.20602	9.3
265.21573	92.9
266.22061	4.6
273.22159	3.4
275.23737	4.2
277.21573	16.0
278.83331	2.5
315.26828	15.6
333.27896	98.9
333.32056	4.7
334.28159	10.2
343.59436	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	333.2781
Annotation	7,10,13,16-Docosatetraenoic acid
Peak:m/z	Relative Intensity
53.00286	1.4
55.05503	13.3
57.03418	4.8
57.07066	64.6
59.04985	17.1
61.18629	1.1
63.91922	1.4
67.05491	33.6
69.03425	1.5
69.07058	24.2
69.71872	10.5
70.01695	1.2
71.04971	2.7
71.08617	83.8
72.04504	10.7
73.54926	1.3
75.00954	1.2
79.05476	14.1
81.07041	64.4
82.07387	2.2
83.04933	1.4
83.08595	8.8
85.02888	100.0
85.06519	3.6
85.10163	49.9
86.03202	1.8
86.10485	1.7
89.06013	12.1
91.05465	14.1
92.01997	1.4
93.07030	15.8
95.04971	8.4
95.08589	62.2
96.08926	2.7
97.06522	6.7
97.10145	3.4
98.98445	11.9
99.08045	2.7
105.07003	18.5
107.04934	1.9
107.08567	12.2
109.06499	7.6
109.10132	11.2
111.08038	4.3
111.11667	1.8
114.09112	1.8
117.07001	7.2
117.09126	2.9
119.08567	15.5
121.06490	2.0
121.10117	6.2
123.08046	6.0
123.11681	9.8
129.06958	3.9
131.08530	3.9
133.08589	2.4
133.10100	14.5
135.08009	3.5
135.11662	13.6
136.12143	1.4
137.09587	1.7
137.13219	4.9
143.08548	4.5
145.10110	6.0
147.08032	2.7
147.11644	4.6
149.13243	2.5
151.07646	2.3
151.09599	10.7
151.10765	1.4
153.12674	2.6
155.14278	43.7
156.14636	1.8
157.10098	2.9
159.11687	8.5
161.09587	1.5
161.13228	11.3
163.11078	1.6
165.12732	16.2
171.11636	3.6
173.13193	2.3
175.14746	3.0
176.98814	1.6
179.14325	5.8
182.15367	2.4
183.17427	2.2
188.04665	1.4
189.12695	1.6
191.14357	1.7
193.15875	4.9
199.14890	1.9
207.13626	1.3
211.16887	36.3
212.16820	1.3
220.16891	1.9
221.18845	1.4
229.19611	2.1
233.18982	3.5
236.20021	7.5
247.20345	1.4
249.75310	1.3
270.24319	1.4
271.20554	1.3
273.22104	2.5
277.21582	3.0
287.27158	7.0
297.25720	3.6
305.28354	2.2
315.26785	27.7
316.26855	4.5
333.15225	2.2
333.27829	82.8
334.27682	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	333.2781
Annotation	7,10,13,16-Docosatetraenoic acid
Peak:m/z	Relative Intensity
55.05495	12.2
57.03427	3.6
57.07065	48.3
59.04991	3.4
60.65424	3.9
67.05504	32.8
69.07063	29.8
71.04994	6.3
71.08619	70.3
71.82037	5.5
71.82452	4.8
79.05481	13.2
81.07040	72.7
83.08611	9.7
85.02892	87.0
85.10165	32.1
89.06001	5.5
91.05477	16.0
93.07055	18.7
95.08589	78.2
97.06506	7.2
97.10143	6.1
98.98456	16.3
105.07005	19.2
107.08553	16.3
109.06523	5.3
109.10142	12.7
110.79419	3.3
117.07033	10.1
119.08549	17.3
121.06516	5.7
121.10108	5.7
123.08053	7.2
123.11668	12.9
123.92856	3.4
129.06982	4.3
131.08542	4.4
133.10089	10.4
135.11655	12.2
137.13229	13.8
139.14496	3.4
143.08545	5.0
145.10103	7.3
147.11670	6.1
149.13214	3.7
151.14882	3.6
155.14285	40.7
157.10143	3.8
159.11699	9.1
161.13274	12.8
175.14842	7.3
177.12737	3.8
179.14297	10.5
193.15875	4.1
197.15308	19.4
211.16898	28.2
235.20258	3.1
247.20601	4.3
257.18604	3.6
265.21527	4.7
273.22159	4.8
277.21622	8.0
287.27362	6.2
287.60208	3.8
315.26797	32.6
316.27319	4.0
333.27856	100.0
333.31329	4.7
334.28290	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	333.2054
Annotation	15-epi-(4E)-jatrogrossidentadione
Peak:m/z	Relative Intensity
55.01852	0.8
55.05505	3.2
57.03418	0.4
57.06825	0.4
57.07063	5.2
67.05486	2.4
69.07059	4.7
71.08617	3.1
71.78696	0.6
71.79059	0.7
79.05481	2.3
81.07037	3.0
83.04942	0.5
83.08606	0.6
85.10154	0.7
91.05453	2.6
93.07010	1.6
95.04915	0.6
95.08599	2.1
98.98446	9.4
103.05437	0.9
105.07005	3.4
107.04917	1.6
107.08552	0.7
115.05428	0.9
117.06967	1.1
119.08557	1.3
121.06473	1.1
121.10104	0.9
128.06256	2.1
129.06982	3.2
131.04950	0.7
133.06461	5.4
133.10141	0.9
135.04355	1.3
135.08066	2.1
137.05928	0.5
142.07793	0.4
143.08545	0.6
145.06461	2.9
147.04390	1.4
147.07961	0.9
149.05943	2.4
151.07530	2.7
153.06935	1.6
155.04832	0.7
155.90773	0.4
157.06482	4.7
159.04451	0.5
159.08044	0.8
160.05170	1.8
161.05954	2.7
161.09604	1.2
163.03839	0.7
163.07532	0.8
167.07039	1.1
167.08536	0.9
169.06464	0.6
171.04378	13.1
171.08011	1.5
173.05948	8.9
174.06749	3.4
175.07523	8.0
176.98898	1.2
177.09055	0.7
181.04926	3.4
181.06430	1.6
181.10077	0.5
184.05167	10.9
185.05943	13.9
185.09547	0.6
186.06317	0.6
187.07513	1.5
187.11179	0.6
189.05461	3.3
189.06850	0.5
189.09053	1.3
191.06984	0.5
193.04950	1.6
194.07195	0.4
195.07950	0.8
199.07491	1.8
201.05394	0.8
201.09166	0.6
202.06206	0.9
203.07001	8.1
210.64044	0.9
213.09102	1.1
215.10666	0.8
217.08543	1.0
224.65529	1.1
231.06596	0.8
249.07629	0.5
287.19891	1.0
297.18433	41.7
298.18747	0.9
315.19495	100.0
316.19785	3.6
333.19843	3.4
333.26053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
57.03424	0.3
57.07073	0.4
59.04992	0.6
61.02921	0.5
66.37794	0.2
67.05489	0.3
68.05016	0.9
69.03406	1.4
69.07062	0.9
70.06573	0.5
70.32729	0.2
71.01350	0.4
71.04977	0.3
71.79996	0.4
71.91822	0.3
72.08144	0.7
75.96534	0.2
79.05471	0.2
79.88689	0.2
80.51311	0.2
81.03407	0.3
81.07047	1.0
83.04961	0.3
84.04483	0.8
85.02885	1.1
85.07657	4.1
86.06052	100.0
86.09688	10.5
87.04459	2.4
87.06359	0.6
88.42388	0.2
93.07030	0.7
95.08585	0.7
96.04471	2.9
97.02884	0.4
97.06526	0.4
98.06041	1.2
98.98438	3.1
105.07002	0.4
107.08590	1.1
109.10150	0.4
110.09653	1.2
111.04541	0.3
119.04941	0.3
120.08070	2.9
121.69572	0.2
124.03934	0.8
125.09611	0.7
127.03944	0.3
127.11153	0.4
128.07040	2.2
135.11668	0.5
137.06985	0.3
138.09126	1.5
142.12250	0.4
143.10655	0.8
145.04912	0.3
151.03853	0.3
153.12767	1.4
153.13828	0.3
154.12253	0.7
156.06526	24.5
157.06833	0.3
160.13275	0.7
163.03896	0.5
166.08623	0.3
170.11742	0.4
171.10176	0.4
171.12001	0.8
171.13812	1.0
173.09256	1.0
174.07593	24.1
174.11099	1.3
176.98921	0.4
186.09155	0.8
191.10237	7.4
227.17529	0.4
228.15811	1.4
233.19067	0.2
248.11292	0.5
255.01881	0.3
256.06793	0.3
259.16489	18.1
279.16949	0.7
289.57617	0.3
297.18002	1.3
315.19101	13.2
316.08936	0.6
316.19574	0.4
333.10913	0.3
333.20172	10.0
334.20770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1901
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.46343	0.9
51.37672	0.9
53.03925	2.7
55.01863	1.8
55.05489	6.0
57.03428	7.0
57.07061	10.5
59.04988	9.3
61.02916	7.9
67.05489	7.4
69.03416	22.0
69.07059	16.1
69.70189	2.2
69.70592	6.4
71.04977	6.9
73.02896	2.6
74.38399	0.8
79.05486	3.6
81.03407	14.8
81.07048	5.1
83.04952	2.4
83.08588	5.8
85.02889	56.7
85.06525	9.3
86.06052	30.8
86.09686	3.4
87.04444	3.1
91.03971	2.3
91.05472	2.1
93.07057	6.6
95.04958	3.5
95.08587	35.6
97.02879	17.6
97.06512	8.6
98.98439	4.4
99.04449	4.9
99.08079	12.6
106.91096	1.0
107.08570	10.5
109.02854	11.7
109.06496	7.9
109.10131	15.3
111.08057	11.0
111.11712	2.6
113.09622	37.1
127.03900	14.8
127.11174	34.1
135.08052	1.0
135.11664	24.6
136.12108	1.0
137.06078	1.0
139.07570	1.3
145.04933	13.7
151.03940	1.4
153.12715	100.0
154.13054	2.5
155.14267	3.3
156.06502	8.0
163.06116	1.7
169.12198	1.1
171.13774	62.9
172.14093	1.9
172.46141	0.9
174.07625	8.8
177.12758	1.9
191.10207	2.6
195.13734	2.0
213.14813	3.1
224.63408	0.9
257.12769	1.9
259.16504	6.4
297.17178	1.3
300.46725	1.3
301.11795	3.5
315.19098	5.3
322.96112	1.1
333.14648	2.2
333.19217	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	333.1691
Annotation	Gibberellin A20
Peak:m/z	Relative Intensity
55.05494	2.3
57.07055	1.3
67.05492	2.1
69.07050	2.7
70.06586	0.6
71.08622	0.5
71.81371	0.5
79.05486	0.6
81.07028	2.3
91.05470	1.0
93.07028	0.8
93.32504	0.4
95.04901	0.4
95.08581	0.8
97.10190	0.4
97.65214	0.4
98.98451	10.7
100.98827	0.5
105.07008	1.5
107.04958	1.1
109.06462	0.4
109.10159	0.6
111.04418	0.4
115.05428	0.7
117.07004	0.6
119.04932	0.7
119.08544	1.4
121.06503	1.0
121.10110	0.6
123.04423	0.6
133.02837	0.5
133.06474	1.0
146.06004	0.4
147.04367	2.7
147.11673	0.4
159.04417	0.6
159.07965	0.9
161.05910	0.9
163.03865	1.3
173.05858	0.5
174.03110	1.1
175.03882	9.7
176.98856	1.1
177.05455	0.5
181.06499	0.6
185.05969	1.1
187.03867	3.5
189.01811	3.2
189.05461	1.3
191.03314	0.9
197.05896	0.7
199.03851	0.5
201.05438	0.8
202.02606	1.2
203.03374	3.2
203.06989	1.0
205.04886	2.7
213.05463	1.1
215.07027	1.5
217.04858	0.6
227.06943	1.0
231.06435	0.9
315.15848	100.0
315.58514	0.4
316.16159	5.4
332.34225	1.2
333.16956	0.8
333.23990	1.2
333.34705	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25124	0.5
53.64680	0.6
55.05506	4.4
56.04790	0.7
56.05025	4.1
57.03432	1.0
57.07065	1.9
58.04079	0.6
58.06562	0.7
60.04515	100.0
61.04222	0.7
61.04869	0.7
65.03919	1.0
67.05497	10.1
69.03414	0.7
69.07053	5.4
70.06564	1.7
71.05013	1.0
71.08610	1.0
72.04494	3.0
74.06066	1.8
79.05494	6.4
80.05026	1.4
81.03418	1.0
81.07044	14.7
82.06565	2.7
83.04968	1.2
83.08608	2.2
85.02922	1.4
85.06547	0.9
86.06047	1.2
90.05517	0.8
91.05476	5.0
93.07030	7.4
94.06561	1.9
95.04953	1.7
95.08598	9.4
96.08140	1.2
97.06523	1.5
97.10154	0.7
98.98450	25.6
100.07581	0.6
100.98911	0.8
105.07001	3.6
107.08579	5.1
109.06507	0.9
109.10108	3.7
111.11718	0.7
112.07590	1.4
116.99486	1.0
119.08574	2.3
120.08028	0.7
121.02846	0.7
121.06481	0.8
121.10103	4.0
123.11709	1.5
125.09540	0.7
131.08563	2.1
133.10106	1.9
135.11671	2.2
137.05957	2.2
137.09648	0.7
137.13237	0.8
141.43739	0.6
145.10057	0.9
145.58301	0.6
147.08029	0.7
147.11671	0.8
149.13252	1.2
167.07027	1.6
176.98889	2.3
177.99359	0.6
231.06508	1.1
243.06071	0.6
248.23723	0.8
260.23676	1.4
278.24707	6.1
288.09769	0.7
296.25784	10.2
297.25967	0.7
314.26855	16.7
315.27179	2.2
317.05954	1.1
332.04770	3.2
332.08517	2.6
332.27899	85.2
333.20615	1.3
333.28220	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	332.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
53.64286	0.5
55.01849	0.8
55.05505	0.5
56.05036	0.9
57.07061	2.3
58.06569	0.6
66.68826	0.4
67.05491	1.2
71.08624	1.0
71.81742	0.9
77.03889	0.6
79.05456	1.2
81.07023	1.3
82.06555	2.5
82.91302	0.5
85.10164	0.9
91.05468	11.2
93.07030	18.5
95.04945	3.6
95.08594	2.0
98.98447	10.8
103.05449	11.4
103.06082	1.0
105.06998	0.6
107.04903	1.1
109.10137	0.8
116.99528	0.6
119.08567	0.8
121.06483	100.0
122.06846	1.9
133.10083	0.7
157.06564	0.6
161.09662	0.8
176.98868	0.8
187.07509	1.1
188.07938	0.8
197.01447	0.7
212.20067	20.5
243.03119	0.5
283.63818	0.5
300.20361	0.8
332.25793	87.5
332.33273	2.1
333.15067	1.1
333.26385	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	332.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12981	0.4
55.01857	0.4
55.05482	0.7
57.06831	0.4
57.07068	6.1
67.05491	2.3
69.07041	1.3
70.06566	1.1
70.45589	1.4
71.08620	7.4
71.68921	0.4
79.05472	0.7
81.07046	3.9
83.08586	0.4
85.10172	5.0
87.04432	0.6
88.07622	0.5
91.05446	0.7
93.05724	0.4
93.07047	0.5
94.06578	0.4
95.04950	0.6
95.08588	5.3
98.98451	14.5
100.98830	0.4
105.07018	0.8
106.06531	0.7
107.04949	0.6
109.10114	0.5
111.04471	0.4
115.05421	1.2
116.99480	0.7
117.05721	1.2
117.06972	0.4
118.05724	0.5
118.06525	6.5
121.06466	0.6
122.05966	0.6
123.04459	0.6
128.00760	0.4
130.06461	0.5
131.04913	1.2
131.08629	0.4
132.08083	4.0
133.06464	1.3
134.05972	1.4
135.04390	0.5
135.06758	0.6
136.07556	1.5
142.06487	2.0
143.04880	1.6
148.07513	2.3
149.05949	1.5
149.08298	0.8
150.05446	0.5
150.09132	3.0
155.14255	0.8
160.07547	7.3
161.05991	3.2
162.05515	1.4
162.09148	1.8
174.99081	0.5
176.01865	0.7
176.07053	2.0
176.98924	1.4
177.07832	3.6
178.08597	23.2
179.08861	0.7
182.63135	0.4
188.07050	0.5
198.18483	0.5
199.07372	0.4
201.07816	0.8
216.10179	0.9
260.19986	0.5
261.21008	0.4
262.21567	1.1
270.27777	0.4
286.21616	1.0
290.21002	0.6
294.87704	0.5
297.18353	0.5
304.22638	0.7
314.21097	2.9
315.19388	0.5
332.22147	100.0
332.30252	1.8
333.22498	8.3
342.17981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1335
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03930	1.0
55.01865	0.7
57.03417	1.6
61.02915	2.4
67.05486	1.8
68.31405	0.4
69.03419	6.3
70.51578	0.5
71.23463	1.0
71.34724	0.5
73.02919	2.2
79.05470	0.8
81.03406	2.0
81.07053	0.6
85.02885	7.3
85.94013	0.4
87.04441	1.5
87.85419	0.5
91.05467	0.4
93.05750	0.5
95.04910	0.6
95.33354	0.4
96.08138	0.9
97.02881	4.3
99.04426	0.7
102.67712	0.5
106.06536	4.9
108.08102	100.0
109.02843	1.1
109.08432	1.8
110.83000	0.4
123.06789	4.0
124.07575	13.2
127.03919	1.6
134.06000	10.5
136.07547	13.2
152.07043	73.8
153.07391	1.4
154.08601	2.0
170.08089	10.9
174.89163	0.5
202.43831	0.5
220.80432	0.5
250.22791	0.5
314.12302	36.4
315.12619	2.0
332.13348	68.5
333.13666	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2214
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
54.28419	0.4
55.05500	0.8
55.63068	0.3
57.07069	7.4
67.05486	1.2
69.07052	1.3
69.58384	3.6
71.08238	0.5
71.08623	8.1
79.05470	0.5
81.07052	3.0
85.10168	4.6
87.51090	0.4
92.54851	0.4
95.08595	4.4
98.98458	2.7
103.05460	0.8
115.05444	2.1
117.82284	0.4
123.55724	0.4
130.06471	0.4
131.04910	1.9
132.08041	1.4
133.06482	0.9
143.04877	2.6
148.05107	0.5
149.05945	1.6
155.14339	0.6
158.06017	0.5
160.07553	4.8
161.05965	3.3
162.05322	0.5
163.06203	0.5
174.21371	0.4
176.07086	1.5
176.98860	0.5
177.07846	6.6
178.08604	28.6
179.08893	1.4
190.08606	0.6
201.07793	2.7
216.10231	1.3
218.08165	1.2
226.24124	0.4
229.10753	0.4
247.68452	0.4
286.21603	0.7
314.21069	3.1
315.21506	0.4
332.22153	100.0
333.22507	11.1
333.26294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	1.2
61.02913	2.1
65.03941	1.1
67.05493	2.3
69.03422	6.5
70.74619	1.8
73.02895	1.7
77.72847	0.4
78.48853	0.5
78.55910	0.5
79.05479	1.2
79.98655	0.4
81.03403	1.5
85.02895	6.0
87.04449	1.5
93.05770	0.5
94.92997	0.7
96.08134	0.9
97.02874	3.8
99.04456	0.6
106.06548	5.0
108.08103	100.0
109.02889	1.3
109.08428	1.3
113.07295	0.4
123.06792	3.9
124.07580	16.0
127.03896	1.4
134.05997	9.8
135.75587	0.4
136.07559	12.8
145.04933	0.4
145.60478	0.5
148.31195	0.4
152.07045	72.8
153.07460	1.2
154.08633	1.3
170.08095	10.2
170.09421	0.6
179.42136	0.5
198.65123	0.4
204.87177	0.7
233.84038	0.5
314.12286	36.6
315.12805	1.3
332.13397	72.6
333.05731	1.2
333.09677	1.2
333.13846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.6
56.05017	1.5
57.03418	5.4
57.07064	87.9
67.05496	19.9
69.07053	14.8
69.47179	3.9
69.47593	9.8
70.06577	11.2
71.04989	1.2
71.06898	2.5
71.08619	57.2
72.08935	2.0
75.04461	4.3
79.05449	1.6
81.07040	30.5
83.08606	21.5
84.04478	1.5
85.06510	1.3
85.10170	33.2
88.07616	10.7
89.06054	1.5
89.07938	3.5
91.05453	1.9
93.07047	1.9
95.04957	1.5
95.08591	44.8
96.08950	1.9
97.10147	13.3
98.98449	100.0
99.11732	2.2
100.98852	1.6
102.09168	3.1
105.07018	2.3
106.08633	6.5
109.10143	22.5
111.11687	3.7
116.99466	2.5
119.08549	2.2
123.04350	1.3
123.11671	10.7
125.13223	2.5
137.13225	5.8
139.14766	1.6
140.01041	1.7
151.14781	2.3
155.14258	1.9
160.07533	1.4
161.05988	1.3
161.09641	1.6
162.05487	1.7
174.99152	6.4
176.98877	8.9
178.08609	5.3
187.07552	1.7
198.18492	1.3
210.18481	11.0
221.22585	2.7
239.23663	23.4
252.99596	1.3
257.24750	5.8
287.31647	1.4
313.27316	63.7
313.32980	4.6
313.47873	1.1
314.27472	1.3
331.33936	96.4
332.22104	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	331.2624
Annotation	(7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid
Peak:m/z	Relative Intensity
50.71972	0.7
53.00278	0.8
53.03933	1.3
54.04322	0.7
55.01857	1.0
55.05500	6.0
57.03399	0.9
57.06789	1.2
57.07063	21.2
61.81380	0.7
67.05492	11.9
69.03414	1.1
69.07055	25.0
70.26151	3.5
70.71698	0.7
71.04977	1.2
71.08614	25.2
77.03870	0.8
79.05473	6.2
81.07037	22.0
83.04966	1.9
83.08598	4.3
85.02895	3.7
85.06525	1.3
85.10164	13.0
87.48133	0.7
87.62361	0.8
91.05452	13.9
93.07017	8.9
95.04929	2.1
95.08579	23.9
97.06511	2.2
97.10180	1.1
98.98444	100.0
100.98864	2.9
103.05451	1.8
105.07008	12.7
106.07331	1.5
107.04942	1.5
107.08576	8.8
109.02857	1.7
109.06501	3.2
109.10143	4.6
111.08058	0.9
116.99479	4.5
117.07002	8.4
119.08546	5.5
121.06497	5.5
121.10112	3.4
123.04366	4.5
123.08051	1.1
123.11703	0.8
128.06212	1.3
129.06956	2.3
131.08522	9.3
133.06471	1.9
133.10103	4.2
135.08032	3.2
135.11685	7.8
137.05965	1.4
137.13271	2.7
140.01060	1.6
142.07729	1.3
143.08546	4.2
144.09300	2.6
145.09116	0.9
145.10077	5.3
147.08006	1.9
147.11690	1.5
149.09654	1.1
149.13237	1.5
151.07550	3.9
151.57805	0.9
155.08554	1.7
155.14288	9.0
157.10135	2.7
159.08049	1.3
159.11655	20.3
161.09538	6.7
161.13237	1.1
163.07570	1.0
169.10175	1.5
171.11623	1.3
173.09592	1.3
173.13248	2.2
173.47665	0.8
174.99196	5.0
175.03842	1.3
175.11221	2.2
176.98859	9.4
177.12711	20.8
183.11606	1.5
187.11237	1.9
189.12729	1.5
211.16888	1.1
247.20557	1.8
249.18518	3.6
251.20151	1.0
252.99631	2.4
254.99237	1.0
263.20029	20.4
264.20184	1.1
273.22079	3.4
275.20001	9.9
285.25748	2.1
289.21643	6.5
303.26825	2.9
313.25140	13.5
331.26282	64.6
331.33771	5.3
332.26498	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55640	0.9
55.05495	6.1
57.06794	2.8
57.07067	55.4
58.07376	1.2
67.05497	19.5
69.07059	10.1
70.06571	3.9
71.08623	75.8
79.05466	4.9
79.79088	0.9
81.07043	47.5
83.04942	2.4
83.08604	4.7
83.19415	0.9
85.02882	1.4
85.06520	2.3
85.10175	36.7
88.07620	3.9
91.05469	7.3
93.07043	6.4
95.04955	1.9
95.08594	55.6
96.08904	1.3
97.10112	1.3
98.98451	100.0
100.98878	2.2
102.09169	1.2
105.07029	12.7
106.08650	2.8
109.06538	1.2
109.10110	1.5
115.05391	1.1
115.57565	1.1
116.06246	1.0
116.99493	3.4
117.06989	12.0
119.08541	3.6
121.06473	4.6
121.10110	4.4
123.08096	1.5
127.32931	1.1
129.06979	2.5
130.07732	1.1
131.08549	11.6
133.06467	3.0
133.10104	9.6
135.11674	1.8
137.09578	1.9
137.10611	1.1
137.13234	7.2
140.01051	2.1
143.08568	4.9
144.09323	2.4
145.10124	1.9
147.11650	3.1
155.14282	56.9
156.14557	1.0
157.10123	2.8
158.10899	2.1
159.11674	53.2
160.12053	1.7
161.09612	2.0
174.99219	6.3
176.11977	2.3
176.98935	9.9
177.12749	8.4
179.10551	1.2
195.40738	1.3
252.99821	2.1
254.99477	1.1
275.20023	1.8
285.25815	1.9
285.89319	1.1
303.26709	3.5
313.25189	69.3
313.32922	3.0
314.25513	5.4
331.18030	1.5
331.26276	15.9
331.33957	40.6
345.99780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01857	0.8
55.05486	1.1
57.03418	1.4
57.07046	0.8
58.06591	1.2
59.04991	23.5
60.21139	0.5
61.02898	1.5
67.05479	1.9
68.45309	0.5
69.03419	3.5
69.65513	1.9
69.65939	2.6
70.05578	0.5
70.06567	1.6
71.04965	0.8
71.08623	1.2
73.02901	0.5
79.05489	2.8
81.03382	1.1
81.07046	4.7
81.92474	0.5
83.04958	2.1
84.04505	0.6
85.02882	8.2
85.06532	0.7
86.09689	2.0
91.05463	9.2
93.07027	38.1
94.07388	0.7
95.04953	1.7
95.08597	2.6
97.02872	2.4
98.20618	0.9
98.98448	100.0
99.04453	0.6
100.28655	0.5
100.98869	2.4
105.07012	7.4
107.04939	1.5
107.08582	2.9
108.08089	1.3
109.02858	1.9
109.06513	1.0
109.10156	0.8
111.08062	1.7
116.99498	4.0
119.04937	1.0
119.10762	0.5
120.37509	0.5
121.06500	1.1
121.10172	0.8
123.04408	0.8
123.11687	2.9
124.07536	2.8
127.03893	2.2
131.08630	0.5
133.10101	16.7
135.04385	1.9
137.02306	1.2
137.06003	0.8
145.04970	1.7
147.04379	1.4
149.09579	0.7
151.07567	0.7
151.11166	7.6
152.07092	1.5
153.05481	1.0
158.99538	0.6
169.04871	0.9
169.08618	0.6
169.12207	12.3
170.08096	2.0
170.12592	0.6
174.99168	5.4
176.98880	11.4
177.05496	0.7
193.01343	1.5
202.98459	0.6
212.13242	0.5
221.00830	0.7
233.45479	0.5
247.05927	0.7
252.99753	2.0
254.99538	0.9
313.17044	0.7
313.27414	1.0
314.12744	0.6
331.13458	1.3
331.17474	2.4
332.11505	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1534
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
53.03925	0.8
55.01840	0.7
55.05500	9.9
56.40949	0.8
57.06785	1.1
57.07059	15.2
58.61421	0.9
59.05005	0.8
62.67580	0.9
65.03928	3.7
67.05489	21.4
69.07055	7.0
70.04925	3.7
70.06559	0.9
71.04966	1.5
71.08612	11.5
72.77142	0.8
79.05476	2.5
81.07044	9.0
83.01312	0.8
83.08612	2.3
85.06522	14.3
85.10161	7.1
91.05457	5.2
92.12471	0.8
93.07030	1.0
95.08590	9.4
97.10180	1.6
98.98447	100.0
100.98871	2.2
103.05441	2.4
105.07021	2.3
105.91889	0.9
107.04973	1.2
109.10107	1.3
115.05432	3.3
116.99493	2.1
117.07030	1.3
119.04924	3.1
119.08557	0.9
121.10138	1.2
128.06186	0.9
129.06992	2.2
131.04884	10.0
131.08585	0.9
133.06482	1.8
137.13315	1.2
140.01024	1.2
141.06947	2.5
143.04901	3.5
145.06403	2.0
145.10051	1.0
147.04379	12.0
147.08105	1.0
149.05989	2.4
154.07716	0.8
155.08522	1.8
155.14276	3.4
157.05309	0.9
157.06421	4.3
159.04402	12.3
159.08047	0.8
161.05942	6.0
163.03860	6.0
169.06468	3.5
171.04358	2.2
173.05957	9.3
173.09637	0.9
174.99191	4.9
175.03873	100.0
176.04459	2.3
176.98854	10.2
177.05438	16.4
183.04524	1.0
183.08063	1.1
185.05995	1.4
187.03871	33.1
187.07425	4.6
189.05429	30.6
189.11122	1.0
195.08006	1.2
197.05914	7.5
198.06770	2.0
199.03838	10.7
199.07545	1.3
200.04666	2.0
201.05429	10.8
201.09059	1.4
203.03314	5.8
203.07002	3.4
205.04910	4.2
211.07451	1.8
212.08359	0.8
213.05437	3.4
214.06169	1.5
215.06978	7.4
217.04926	1.7
217.08549	1.8
223.07578	1.8
225.09171	0.9
226.06175	9.3
227.06990	2.5
228.07776	2.9
229.08540	29.3
229.10797	1.7
231.10114	12.2
232.10320	0.9
239.06976	1.5
241.08562	28.7
243.10149	22.7
245.08031	2.7
247.09618	52.2
252.99687	1.9
253.08746	2.3
254.99405	2.0
255.10088	2.2
259.09634	13.5
269.11829	1.1
271.09653	1.4
289.17917	2.2
295.13297	5.5
313.14279	13.9
313.17932	6.7
313.80530	0.9
331.08325	1.0
331.15271	10.6
331.19019	18.3
331.22964	1.1
350.11380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81534	0.2
51.02360	0.4
53.03934	0.4
56.05016	0.7
57.07067	2.5
67.05491	0.5
69.07055	0.4
69.67178	0.8
69.67608	1.5
71.08609	1.0
74.49667	0.2
77.03889	0.3
79.05477	6.0
81.07050	0.4
82.06551	0.5
84.04497	0.9
84.12140	0.2
85.10182	0.7
91.05477	1.3
95.04939	1.3
95.08601	0.5
98.21442	0.5
98.98447	1.5
102.34538	0.2
103.05459	4.5
105.07010	100.0
106.07346	1.6
109.10104	0.4
131.08517	0.5
143.96001	0.3
148.11205	1.7
186.12653	0.6
210.72255	0.3
220.20590	0.9
226.21640	1.5
238.21565	0.9
312.26779	0.7
330.27850	98.4
331.28156	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	330.2421
Annotation	4-Methyl-4-aza-5-pregnene-3,20-dione
Peak:m/z	Relative Intensity
53.03930	0.9
55.01341	0.2
55.05493	0.9
57.07061	1.9
57.52140	0.2
65.03933	0.3
67.05492	1.5
68.99759	0.6
69.03426	0.4
69.07047	1.3
69.25919	0.3
69.54407	1.0
69.54829	1.6
70.06584	0.5
71.08615	1.4
77.03909	0.4
79.05477	7.0
80.05014	0.4
81.03400	0.2
81.07044	1.9
82.06562	0.5
83.04954	0.4
83.08624	0.4
84.04495	0.8
85.02895	0.3
85.10165	0.8
87.04411	0.3
88.07603	0.5
91.05466	8.1
93.07021	1.4
94.06558	0.6
95.04947	1.9
95.08584	2.3
96.04513	0.3
96.93948	0.3
98.98448	17.8
102.09140	0.3
103.05458	4.5
105.07009	100.0
106.07335	2.6
107.08568	0.6
108.04449	0.3
108.08071	0.2
109.10149	0.5
110.06030	0.4
116.99443	0.6
117.06989	1.1
119.08561	0.4
120.08089	1.2
121.10110	0.6
122.06015	0.8
122.09609	0.4
123.06794	0.3
124.07576	1.6
128.06166	0.3
129.01801	1.9
129.06982	0.7
130.02151	1.0
130.06516	2.6
131.08556	0.9
132.08052	1.7
133.10112	1.5
134.09650	0.9
135.11705	0.6
136.07619	0.3
137.05998	0.4
139.00208	0.7
141.06981	0.8
143.08536	0.7
144.08102	0.3
145.10089	0.3
146.09608	0.7
155.08514	0.3
155.14351	0.3
157.01317	0.8
157.10075	0.3
158.01624	0.4
158.09593	0.9
159.11607	0.6
160.11113	0.3
164.68454	0.3
170.09612	0.5
173.13203	0.4
174.99220	1.2
176.10678	1.5
176.98923	1.2
177.12810	0.7
186.09055	0.4
186.12735	1.0
188.10666	8.2
192.10156	0.6
192.17494	0.3
196.11240	0.6
202.12234	0.6
213.11441	0.6
214.12218	9.8
215.12607	0.5
220.16942	1.2
237.15047	0.9
247.20525	0.3
249.18526	0.3
263.19955	0.3
275.19971	0.4
284.23642	0.9
294.22122	1.1
312.23175	8.5
313.23444	0.5
330.24207	91.7
330.32947	3.7
331.24692	6.7
331.29916	0.6
348.04523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1693
Annotation	Dehassiline
Peak:m/z	Relative Intensity
52.88704	0.3
71.35257	0.9
79.39182	0.4
91.05466	1.5
94.04108	0.4
95.04940	0.4
98.98447	1.3
109.06534	0.5
115.05439	4.7
117.06982	0.3
119.04919	1.3
122.03628	1.7
127.88239	0.3
135.04254	0.3
137.05949	35.4
138.06247	1.1
143.04897	18.4
144.05188	0.5
145.06412	0.4
149.05983	0.5
149.08316	0.5
151.07515	3.3
151.99438	0.4
160.05142	1.3
160.07504	0.4
163.07507	0.5
163.48274	0.3
167.08498	0.6
169.04906	1.1
175.07513	13.5
176.07880	0.5
177.07819	12.3
178.08612	0.7
179.08420	1.5
182.26225	0.3
192.10158	100.0
193.10501	4.0
195.07994	1.3
207.07997	2.7
208.08630	0.4
223.07469	0.7
224.08177	0.6
225.09071	0.3
225.16766	0.3
227.10600	1.5
230.10222	0.3
230.28078	0.4
235.07506	1.4
239.10614	2.1
241.08549	0.6
252.07715	0.5
255.10130	0.7
267.10162	2.6
269.07947	0.6
269.11902	0.4
284.10349	0.5
287.12827	0.6
298.14572	0.4
299.12717	4.1
307.28241	0.3
330.16931	61.8
331.17197	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	329.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.6
57.03427	1.4
57.07061	2.1
62.66147	0.2
64.75984	0.2
67.05489	1.6
67.78883	0.2
69.07055	3.9
69.73490	0.2
71.08613	1.3
79.05468	0.8
81.07040	2.5
83.08599	2.4
85.06506	0.3
85.10168	0.6
88.03959	0.3
91.05461	0.3
93.07026	1.0
95.08604	1.6
97.06508	0.6
97.10163	1.4
98.98448	100.0
100.98875	0.7
101.05990	0.3
105.07039	0.5
107.08545	0.9
109.10136	0.8
111.08066	0.3
111.11688	0.3
116.99478	3.5
121.10119	1.1
123.11688	0.7
125.09578	0.5
129.01866	0.3
129.09113	0.3
131.08559	0.3
133.06523	0.3
135.11667	0.7
137.13216	0.4
139.01532	0.2
139.11186	0.5
140.01044	1.6
147.04401	0.2
148.07574	0.8
149.13237	0.8
153.12723	0.5
159.07979	0.2
160.07664	0.2
161.05928	0.3
161.08313	0.3
163.14798	0.3
167.14304	0.4
167.98199	0.2
174.99196	10.3
175.03925	0.7
175.92242	0.3
175.99600	0.2
176.07074	0.5
176.14821	0.2
176.98878	4.5
192.10371	0.2
193.08694	0.2
207.02870	0.2
217.04909	0.2
217.07387	0.2
219.21153	0.7
220.63322	0.2
237.22151	1.0
250.99979	1.4
252.99646	1.8
266.09091	0.2
268.26373	0.8
274.21729	0.7
298.11749	0.2
302.21124	2.0
311.25760	0.9
318.76077	0.2
329.10226	0.3
329.21497	0.7
329.26868	6.1
329.32379	0.6
330.20590	9.3
330.26877	0.5
330.30316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.7
55.05500	1.3
56.01395	0.5
56.05024	1.7
57.07067	13.1
67.05497	4.5
68.05005	1.3
69.07052	3.8
70.02936	1.5
71.08237	0.8
71.08618	15.5
71.23555	1.4
77.34710	0.5
79.05473	2.0
81.07046	9.2
82.06570	10.7
83.08597	1.1
84.04491	23.7
85.01622	0.5
85.02898	4.9
85.10166	8.8
93.07038	1.0
95.08591	10.2
98.98448	2.5
102.05530	1.1
106.06525	0.7
107.08552	0.7
110.06029	9.3
114.05467	0.6
120.08102	1.2
128.06129	0.9
128.07054	10.0
130.04999	0.6
137.13240	1.0
138.05472	1.4
155.14304	4.0
156.06525	23.8
162.26909	0.6
174.07591	15.3
175.08029	0.6
194.08224	0.6
198.18504	13.4
227.46680	0.5
236.20111	5.5
264.19543	3.5
282.20612	4.1
310.20044	3.9
314.11649	0.5
328.21136	100.0
329.21460	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	328.2476
Annotation	10-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
54.18715	0.4
55.01857	1.1
55.05501	3.4
56.05023	2.9
57.03432	0.4
57.07065	15.8
58.06588	0.3
61.02921	0.4
67.05490	3.8
68.05011	2.5
69.07060	2.7
69.23628	0.5
69.54026	3.0
69.54440	0.8
70.02940	1.6
71.08621	7.5
74.06061	0.8
79.05487	0.8
80.04991	1.3
81.03368	0.4
81.07040	3.6
82.06116	0.6
82.06564	4.8
83.04960	1.0
83.08608	2.0
84.04045	0.5
84.04490	4.6
85.10177	4.4
85.45092	0.4
86.06049	0.4
89.93218	0.4
91.05476	0.9
93.07035	0.9
94.06541	1.4
95.04953	0.7
95.08595	7.5
96.04456	1.1
96.08091	0.3
97.10152	1.2
97.23264	0.3
98.06022	0.5
98.98448	100.0
100.07598	6.1
100.98849	0.6
102.05514	4.7
108.75846	0.4
109.10144	3.7
110.06022	7.2
112.07584	1.7
114.05566	0.5
116.99487	4.3
121.10144	0.6
128.07053	1.1
130.04991	6.2
140.01056	2.3
140.07040	0.9
146.08095	2.1
174.99194	12.4
175.99522	1.1
176.98878	4.9
181.34457	0.4
183.17424	0.9
189.41043	0.4
220.20584	2.5
222.22127	1.6
236.20078	0.6
237.09099	0.5
238.21619	10.2
239.22084	0.6
248.23883	0.5
250.99965	1.2
252.99806	1.9
264.23126	5.6
265.08633	1.3
266.24622	1.1
281.20718	0.4
282.21475	0.8
282.24203	5.1
284.22168	12.0
285.22522	0.6
297.11127	0.6
310.23734	3.0
328.24762	95.6
329.21225	0.7
329.24988	5.7
342.36713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92912	0.4
55.01860	0.6
55.05500	8.3
56.05010	1.1
57.03423	0.8
57.07069	2.1
58.06587	0.7
58.84839	0.4
62.10270	0.4
67.05494	2.5
68.05000	0.7
68.99767	0.4
69.03426	0.6
69.07064	8.4
69.27686	0.4
70.06581	1.5
70.38521	2.0
71.08614	1.9
79.05476	1.8
81.07043	5.9
83.04996	3.2
83.08605	3.3
83.15311	0.5
84.04491	30.3
85.02890	11.7
85.04813	0.5
85.10173	0.9
86.06049	2.9
87.04451	5.5
91.05437	0.6
93.07017	1.4
94.06528	0.5
95.04952	0.8
95.08598	4.5
96.08121	0.5
96.89649	0.5
97.10165	4.5
98.06023	2.6
98.98452	85.6
99.04045	0.4
100.98856	0.6
102.05523	3.6
107.08591	0.5
108.89849	0.4
109.10136	1.0
110.06029	1.6
110.09668	1.1
111.11697	1.2
112.07580	1.5
114.05532	1.4
116.99467	3.3
120.08056	0.5
121.10142	0.6
124.07604	0.7
126.09145	1.6
128.07048	0.9
130.04976	16.2
131.03378	1.1
138.09111	1.9
140.01100	1.0
142.04936	0.6
147.04425	0.6
148.06075	1.3
151.06274	1.3
153.01813	1.6
154.02158	0.5
154.15901	0.5
155.14294	0.5
156.06519	3.4
170.19016	1.3
174.99213	9.4
175.99515	1.1
176.98906	3.4
181.15916	0.6
182.18983	0.6
184.80185	0.4
185.05984	0.6
187.12204	0.4
194.18935	0.6
196.16948	1.5
198.18494	5.6
206.19055	0.4
208.20613	3.4
236.20052	2.8
240.19534	0.5
251.00101	1.1
252.99773	1.3
253.04845	0.7
254.05278	1.6
254.21082	3.2
264.19504	9.1
265.08603	0.6
281.04678	0.5
282.04776	5.4
282.20624	7.8
283.04944	0.5
283.20773	0.4
299.04910	0.6
300.05630	0.6
300.21616	2.9
310.04303	1.2
310.20218	1.3
328.05307	22.3
328.21136	100.0
329.05716	2.8
329.17639	0.7
329.21411	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	328.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
57.03418	1.8
58.06591	2.5
59.04990	35.2
61.02920	0.5
69.03419	1.5
69.07068	0.5
70.06571	0.6
70.50339	0.4
71.54385	1.1
72.08129	0.6
73.06542	59.5
74.06873	0.8
81.03398	0.8
85.02892	7.4
86.09696	1.3
90.67128	0.4
91.03936	0.5
94.62312	0.4
94.64610	0.4
97.02876	1.8
98.98448	100.0
100.98852	0.8
105.07012	0.5
109.02845	0.8
116.07056	0.9
116.99474	3.1
117.09106	7.3
120.08118	1.1
121.10132	0.5
127.03901	1.1
131.10652	6.8
137.05945	0.8
144.08073	0.6
145.04909	0.7
147.02399	0.4
149.11705	46.5
150.12030	1.1
165.06993	0.6
174.99205	11.1
175.00719	0.6
175.99533	0.8
176.98907	4.3
177.06952	0.6
183.08124	0.5
185.16423	0.4
190.08635	1.1
192.10153	1.9
193.06299	0.5
205.06407	1.2
211.07524	1.2
222.06837	0.6
223.07535	1.2
227.07007	1.2
233.05829	0.5
237.09134	1.1
239.06993	1.6
240.07567	0.5
243.10162	0.9
244.70326	0.4
250.99985	0.9
251.07024	1.5
252.00298	0.4
252.99672	1.7
253.04874	0.5
255.06317	0.5
265.08664	2.1
267.06488	2.5
268.07092	0.8
271.09644	0.8
279.06439	0.7
282.08899	0.7
283.09436	0.9
285.10931	0.6
296.06720	0.6
297.11038	0.6
299.09119	2.3
311.09073	6.3
312.09326	1.1
328.11551	2.0
328.15326	14.7
329.15677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1536
Annotation	BOLDINE
Peak:m/z	Relative Intensity
58.06566	0.6
60.29072	0.6
64.57726	0.5
69.82439	4.1
76.03599	0.5
80.42435	0.5
98.98455	4.0
144.41148	0.6
147.85579	0.6
165.07033	1.0
170.76167	0.6
177.06979	3.6
189.06960	1.2
191.08560	3.3
194.04594	0.7
194.07280	4.3
195.07935	0.7
205.06442	21.8
206.06912	1.3
207.08041	0.6
209.09529	2.6
211.07614	1.1
218.45613	0.6
219.08026	1.9
221.06020	1.3
222.06726	12.3
223.07352	1.2
233.05946	23.1
234.06613	2.1
235.07680	0.8
236.08176	0.7
237.09059	24.1
238.09590	0.6
239.07056	2.9
240.07765	0.9
247.07555	1.0
250.06230	7.3
251.06921	1.6
253.08487	0.9
254.09354	1.9
265.08560	100.0
266.08881	3.4
267.06445	1.9
282.08795	6.6
296.12924	0.7
297.11163	85.2
298.11545	2.3
328.15390	38.2
329.15710	1.0
340.81808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1537
Annotation	(-)-Boldine
Peak:m/z	Relative Intensity
66.92307	0.7
68.84824	0.6
69.46738	0.7
71.21383	1.4
98.98448	4.6
165.06981	2.5
166.07668	3.3
167.08603	0.9
177.07033	2.0
178.07739	1.4
179.08519	4.9
181.06413	1.5
181.10100	3.2
189.06906	1.2
190.07727	5.4
191.08539	17.8
192.08914	1.0
193.06406	1.0
194.07204	5.5
195.08115	2.1
200.18597	0.8
204.05780	0.9
205.06473	8.0
206.07243	1.3
207.08003	11.2
208.08751	4.1
209.09566	9.6
210.06778	1.5
211.07507	0.9
217.06462	1.5
218.07233	1.9
219.06073	0.6
219.08000	14.6
220.08543	1.2
221.05940	5.6
222.06729	17.9
223.07422	3.2
224.08321	0.7
225.09085	2.8
233.05971	4.6
234.06734	1.0
235.07535	4.2
236.08282	5.2
237.09056	24.7
238.09433	1.0
239.07007	3.9
247.07515	6.8
248.08189	0.9
249.05342	1.9
250.06247	3.9
251.06976	1.9
251.10704	0.8
252.07758	1.2
253.08575	3.8
254.09225	0.9
255.10211	3.5
257.77914	0.8
263.06970	2.4
264.07697	2.2
265.08563	78.1
266.08984	5.5
267.06516	7.4
267.09821	1.5
279.10065	2.0
282.08813	31.1
283.09192	1.6
285.11221	1.1
297.11169	100.0
298.11728	4.3
299.12793	0.9
311.12601	0.9
312.12238	3.8
313.12991	3.7
328.15372	92.9
329.15613	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	328.1176
Annotation	Erythbidin B
Peak:m/z	Relative Intensity
52.13055	0.4
58.06592	12.8
69.03439	0.5
70.02235	3.1
70.06590	4.3
72.08133	1.2
73.06549	5.6
75.59898	0.5
85.02901	0.9
86.09697	2.4
95.09473	0.5
97.02856	0.5
98.98453	85.2
100.98856	0.6
116.07106	1.1
116.99483	2.1
126.90542	0.6
137.05923	1.0
149.11719	2.1
152.82808	0.5
153.07092	0.6
157.06430	0.6
161.68782	0.5
165.07030	1.3
171.08069	0.7
174.99222	9.6
176.98947	4.0
177.06871	1.1
181.06494	1.5
182.09677	0.8
183.08072	1.3
190.08591	2.6
191.09473	2.9
192.10165	9.0
194.07277	0.9
195.08096	1.0
196.07617	0.6
197.08383	1.6
198.09041	0.8
200.08301	0.7
205.06485	5.5
208.07547	0.9
209.06068	0.4
209.08124	2.3
210.06941	0.7
211.07545	6.0
212.06662	0.7
212.08528	1.0
212.10715	2.1
213.09187	0.6
221.05893	0.9
222.06816	2.7
222.09125	1.8
223.07533	2.6
224.07083	1.0
225.07669	5.5
226.08504	3.2
227.07066	1.7
228.07867	1.1
233.05972	3.1
234.06833	0.7
236.07147	1.9
237.05554	1.1
237.09370	6.4
238.06235	0.9
238.08524	1.1
239.07008	5.8
239.09422	2.3
240.07718	1.0
240.10091	6.6
243.10089	3.0
250.06099	1.5
250.08679	3.1
251.00035	1.3
251.06979	5.5
251.09250	0.7
252.06767	1.4
252.10155	0.7
252.99715	1.6
253.07213	10.4
254.07788	1.5
255.06496	2.0
256.07312	1.0
264.06616	0.8
265.08612	10.4
266.09451	2.5
267.06506	4.6
267.09021	2.9
268.07254	1.5
268.09653	41.7
269.10046	2.6
270.08789	1.6
271.09659	3.9
278.08154	0.9
281.06949	1.4
282.07629	5.2
283.09637	2.7
284.09235	1.3
284.13190	0.6
285.08786	0.8
285.11230	3.5
295.08307	1.1
296.09216	17.4
297.10629	6.6
298.07260	0.7
298.10330	0.8
299.09100	3.4
311.09082	10.4
312.12399	0.9
313.09503	3.5
313.12842	0.9
325.37988	0.6
328.11755	100.0
328.15469	73.0
329.12076	8.2
329.15811	3.6
337.36224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89502	1.0
53.03946	2.4
55.01855	2.4
55.05504	6.6
57.03416	2.4
57.07056	4.6
59.04974	1.6
65.03908	1.8
65.14762	1.0
67.05173	1.3
67.05489	13.5
68.85030	1.0
69.03410	1.4
69.07055	7.9
69.75980	2.5
69.76390	6.5
71.04989	0.9
79.05482	12.0
81.03402	2.6
81.07043	18.2
83.04945	1.1
83.08598	2.5
85.06511	3.5
91.04910	1.3
91.05461	19.3
93.07032	36.5
95.04949	38.0
95.08591	30.8
97.06517	10.4
98.21464	1.3
98.98450	100.0
103.05451	1.5
105.07011	26.5
107.04937	1.0
107.08576	19.4
109.06508	7.2
109.10138	10.7
115.05430	2.9
116.99484	3.8
117.06990	8.1
119.08571	35.0
121.06499	8.0
121.10126	15.8
123.08038	7.3
123.11665	3.7
128.06197	2.0
129.06970	3.7
130.07771	2.6
131.08543	12.0
132.63387	1.2
133.10095	22.2
135.08026	6.7
135.11703	5.6
137.09564	3.3
137.13092	1.0
140.01147	1.1
141.06938	2.7
142.07738	6.2
143.08522	8.7
144.09291	1.5
145.10106	18.0
147.07939	1.4
147.11659	7.5
149.09618	2.6
149.13248	1.7
151.11188	1.3
155.08545	3.6
156.09319	3.3
157.10117	16.3
158.10799	2.2
159.08015	3.1
159.11665	19.6
161.09633	7.9
161.13213	2.9
163.11136	1.4
165.07018	1.4
167.08556	2.2
169.10124	6.7
170.10837	2.2
171.11681	8.3
172.12399	2.1
173.09604	2.3
173.13217	8.0
174.99199	18.1
175.11176	2.0
175.14793	9.2
181.10106	2.5
183.11714	6.0
184.12440	1.3
185.13264	5.2
187.11171	3.8
187.14760	7.1
189.16338	2.1
193.10091	1.7
195.11552	3.1
197.13226	6.2
199.14822	5.4
201.16348	3.6
207.11655	2.2
209.13272	5.6
210.13934	1.5
211.14810	3.7
213.16402	2.8
215.14264	1.6
216.70239	1.1
217.15894	2.9
220.12451	1.7
221.13231	1.7
223.14717	2.9
225.16315	3.0
227.14284	1.7
235.14732	3.0
239.17912	1.5
251.00014	3.3
253.15834	1.6
265.19342	2.3
291.21036	2.7
299.05716	1.3
309.22241	5.5
309.53439	1.2
327.07693	2.6
327.23199	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	327.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.9
53.82849	1.6
55.01850	3.4
55.05512	9.3
55.38153	1.7
56.65315	1.6
57.03416	3.7
57.07063	5.2
59.04992	2.0
61.36728	1.8
64.68842	1.7
67.05499	23.1
69.07064	11.1
70.04346	10.1
79.05476	15.0
81.03389	2.6
81.07040	25.9
83.04989	2.6
83.08598	5.1
83.97452	1.8
85.06553	3.3
91.05467	29.6
93.07029	59.1
95.04952	55.7
95.08593	42.9
97.06509	14.4
98.98449	100.0
103.05498	2.0
105.04565	1.6
105.07007	41.6
107.04939	1.9
107.08578	27.0
109.06498	10.0
109.10135	18.0
115.05393	2.6
116.99461	3.7
117.06975	13.1
119.08553	47.3
121.06519	12.2
121.10125	25.5
123.08064	8.1
123.11674	6.5
128.06190	2.1
129.06993	6.8
130.07768	4.0
131.08549	17.6
131.70358	1.9
133.06523	1.7
133.10104	35.3
135.08032	9.6
135.11655	8.7
137.09624	2.5
141.06966	3.3
142.07693	7.9
143.08537	14.0
144.09306	5.2
145.06503	2.3
145.10101	34.2
147.08037	2.2
147.11684	10.7
149.09579	3.8
149.13295	2.0
152.06210	3.5
153.06958	3.5
155.08525	3.7
156.09332	5.9
157.10086	28.7
158.10831	3.8
159.08046	2.2
159.11671	32.4
161.09572	10.8
161.13231	4.9
163.11212	3.3
167.08522	1.8
169.10086	9.3
171.11633	9.3
172.12265	2.5
173.13240	10.5
174.99210	16.9
175.11256	2.2
175.14792	15.2
181.10132	4.4
182.10841	2.7
183.11670	7.7
185.13245	6.7
186.14093	1.6
187.11168	6.5
187.14743	12.9
189.12721	3.2
189.16399	3.8
193.10173	2.3
195.11751	5.1
197.13232	9.9
199.14830	6.8
201.16411	3.3
207.11633	2.3
209.13223	7.9
210.14049	2.1
211.14755	3.6
213.16344	3.1
215.14265	3.3
217.15778	4.0
221.13258	3.1
223.14934	1.9
225.16298	3.1
233.03668	3.5
235.14684	3.4
239.17909	2.0
251.00037	4.1
251.04691	2.4
253.16125	2.3
291.21228	3.5
309.22189	6.4
327.07779	16.4
327.23209	10.6
328.08273	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
56.05007	1.1
57.07064	16.4
67.05495	7.6
68.05013	4.1
68.12591	1.0
69.07038	3.3
70.16204	2.9
70.16603	2.1
71.08614	22.7
72.08909	1.0
79.05462	1.2
81.07033	13.9
82.06569	27.6
84.04489	75.5
85.02888	3.4
85.04794	1.2
85.10164	11.2
86.47828	1.1
91.05398	1.1
95.08589	15.2
95.10704	0.9
98.20775	2.3
98.98451	74.3
101.07142	1.7
102.05495	2.1
109.07631	1.2
110.06020	27.2
111.00780	1.8
111.05487	1.0
114.05501	1.8
116.99532	2.2
127.08651	16.3
128.07048	15.7
129.07428	1.0
130.04971	19.1
147.04376	1.2
153.01791	4.0
155.08086	8.3
155.14276	6.9
156.06528	100.0
157.05977	8.1
165.01770	2.0
173.09192	52.5
174.99199	8.6
197.05907	1.2
198.18486	8.0
199.18729	1.2
205.15004	1.1
225.05304	1.1
236.20041	1.4
243.02695	1.7
246.85229	1.2
251.00047	1.8
253.04999	3.1
253.56798	1.1
264.19418	1.8
271.05994	1.7
281.04382	8.2
281.22369	1.4
285.03763	1.3
298.04776	1.3
299.05496	2.2
310.04453	1.8
310.20062	15.1
327.04935	59.6
327.22736	48.4
328.05313	4.5
328.23056	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1799
Annotation	Dihydrobotrydialone
Peak:m/z	Relative Intensity
52.90977	0.4
53.03921	0.8
55.01868	3.6
55.05500	7.4
57.07056	2.4
65.03931	6.4
67.01853	3.5
67.05489	4.0
69.03432	0.6
69.07055	5.4
70.18781	3.1
71.01340	5.0
71.08611	1.7
79.05482	6.1
81.03411	1.5
81.07051	4.5
83.01331	2.4
83.04984	2.5
83.08585	1.3
85.02861	0.8
85.10172	0.7
87.62594	0.6
91.05466	5.2
93.03394	16.5
93.07025	3.4
95.04962	3.0
95.08580	2.3
97.02875	1.4
97.06483	0.8
97.41284	0.5
98.20722	0.8
98.98450	60.1
103.05445	1.0
105.03371	1.4
105.06984	2.7
107.04929	3.0
107.08538	1.6
109.02859	1.6
109.06492	1.1
111.04432	3.9
113.02264	0.5
116.99464	1.6
117.06994	1.3
119.04902	3.1
119.08573	1.4
121.02877	0.8
121.06483	2.4
123.04421	2.6
123.11707	0.5
127.03893	0.9
129.06972	1.2
131.08521	1.2
133.06487	1.1
133.10124	0.7
135.04364	4.2
135.08054	1.0
136.05148	0.7
137.02339	0.9
137.05939	2.3
139.03915	1.3
145.06442	0.9
145.10046	0.5
147.04384	2.2
147.07985	0.7
149.06001	0.8
151.03870	1.7
152.04668	0.5
153.01761	0.9
153.05481	1.1
155.03358	1.0
161.02319	0.6
163.03903	5.3
163.07449	0.6
164.04681	3.0
165.05458	0.6
166.06216	0.6
167.03328	1.4
168.04106	0.7
169.04982	2.5
174.99205	9.0
177.05428	2.3
179.06921	0.6
181.03474	0.7
181.04936	7.9
183.02795	1.2
185.04440	3.3
185.95311	0.6
189.12747	1.1
191.14262	0.9
193.04941	7.2
195.06529	4.5
197.04451	1.3
207.06538	1.1
209.08041	3.0
221.08031	1.9
223.09637	1.9
235.09610	1.8
235.16824	0.8
251.00075	1.7
262.15610	2.3
273.14612	0.7
281.04398	0.7
291.15881	8.8
309.16916	100.0
310.17343	3.2
327.04962	8.0
327.17969	49.1
328.05252	0.6
328.18207	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
55.01856	1.0
55.05493	4.1
56.05016	0.7
57.03417	0.8
57.07064	11.6
59.04979	0.9
66.14317	0.5
67.05495	3.7
68.05001	1.4
69.07055	2.7
69.61023	5.0
70.02931	2.7
70.06573	3.1
71.04955	0.6
71.08624	4.5
72.08131	2.1
79.05443	0.8
80.04983	1.1
80.67068	0.5
81.06663	0.5
81.07047	5.5
82.06530	1.4
82.93308	0.5
83.08588	2.3
85.10152	2.0
93.07010	1.0
95.08581	5.1
96.08087	0.9
97.10155	1.3
98.06014	1.4
98.09670	9.8
98.98444	63.0
105.06989	0.6
107.08567	0.8
108.08092	1.1
109.10136	3.0
116.99495	1.9
119.08539	0.6
120.08076	1.2
122.09625	1.4
126.09129	1.7
136.11174	1.1
136.65883	0.5
140.01024	1.5
144.10164	3.2
144.11159	0.6
150.93320	0.6
154.12242	1.0
174.99197	9.4
182.92465	0.5
222.22256	0.7
224.20058	0.8
250.99998	2.4
262.25186	2.8
280.26294	57.2
281.26596	3.3
326.26816	100.0
327.27072	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	326.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	0.7
69.48692	1.6
69.49119	1.5
70.06580	0.3
74.39550	0.3
79.05447	0.3
81.07050	0.3
84.08113	0.5
91.05489	0.3
98.98452	88.5
105.03364	0.6
111.00780	0.4
115.05454	0.4
116.99493	3.4
121.02856	0.3
128.06218	0.5
137.02301	0.4
139.05394	0.4
140.01074	0.8
140.06157	0.5
140.74948	0.3
147.04370	0.6
153.01808	3.2
153.06992	0.3
156.05655	0.6
161.02301	1.1
165.01822	0.5
166.02582	0.3
168.05681	4.5
173.02379	0.4
174.99199	15.0
183.02805	0.6
183.04378	5.1
184.04990	0.6
187.03880	0.5
195.04369	1.1
196.05154	4.8
197.05807	0.6
200.04663	0.6
209.02303	5.7
211.03876	3.7
211.07489	0.3
223.03862	1.1
224.04654	15.6
225.05170	1.0
228.04128	4.6
234.05403	0.3
239.07001	1.3
243.06375	0.4
251.00064	3.2
251.03255	2.3
252.04071	0.5
253.04939	1.2
256.03659	1.2
267.06500	4.7
269.04410	1.5
270.05270	0.7
271.05960	0.6
280.03632	2.6
281.04382	2.1
285.07635	2.3
294.07544	0.4
295.05972	100.0
296.06308	6.4
296.09216	0.5
298.04614	0.5
308.09128	0.9
309.03622	0.4
326.10178	6.4
326.13815	0.4
327.04941	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	326.2472
Annotation	Tolterodine
Peak:m/z	Relative Intensity
55.05511	1.9
57.07063	16.4
62.06087	1.7
62.99559	0.8
67.05487	6.3
69.07061	4.1
70.06593	1.1
70.11469	0.7
70.87672	1.7
70.88037	1.7
71.08619	23.7
79.05468	1.0
81.07041	14.4
83.08607	2.2
84.08130	1.8
85.10166	14.8
86.09692	1.8
93.07033	1.1
95.08591	17.4
98.06075	0.7
98.98447	100.0
105.06986	5.4
106.70245	0.7
109.10100	1.1
112.11253	0.8
116.99480	3.2
121.10098	1.4
127.50056	0.8
137.13211	2.5
140.01001	3.1
144.93999	0.9
155.14275	13.2
172.11148	6.0
172.13269	2.3
174.99193	17.6
198.18443	0.8
221.82921	0.8
225.07887	0.8
250.99750	3.3
266.24670	6.9
326.24341	51.8
327.07388	2.2
327.25000	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1018
Annotation	Enterocarpam I
Peak:m/z	Relative Intensity
51.71187	0.2
56.15297	0.2
63.14265	0.2
64.38646	0.2
69.54387	1.8
69.80077	0.2
98.98449	15.1
116.99440	0.5
154.06448	0.4
155.07207	0.4
167.07256	0.6
174.99194	2.5
179.07260	0.4
180.08093	0.3
181.05173	0.2
182.05991	1.5
182.09581	0.3
183.06657	0.2
187.06235	0.3
192.07980	0.3
194.09613	1.1
195.06670	0.5
196.07484	0.4
204.08023	0.2
206.06021	0.8
207.06723	0.6
208.07515	1.4
209.08315	0.8
210.05508	1.1
210.09138	0.7
212.07010	0.6
214.08620	0.8
220.07497	0.6
221.08319	0.2
222.05511	1.0
222.09029	0.5
223.06235	5.5
224.06963	1.3
225.07793	0.3
226.08496	0.2
227.05757	0.6
228.06476	1.6
234.05463	1.0
235.06213	1.2
236.06995	2.6
237.07776	2.3
238.08592	3.9
239.09151	0.5
240.06506	6.0
241.07001	0.6
242.08041	0.6
248.07141	0.3
249.07907	0.5
250.04964	0.7
250.08403	0.2
251.00037	0.5
251.05756	3.4
252.06474	0.7
253.07291	0.4
254.08095	1.0
255.08830	0.3
256.06003	1.8
262.05081	0.2
264.06546	1.5
265.07306	5.6
266.08087	12.4
267.08466	0.9
268.03220	0.4
268.05991	5.4
269.06528	0.4
272.05374	0.4
278.04373	0.5
279.05215	1.4
279.08240	0.3
280.05988	1.5
280.09213	0.4
281.06702	0.7
282.07553	3.6
283.08304	5.2
284.08835	0.3
292.05951	0.6
293.06754	3.5
294.07550	32.5
295.08167	3.3
296.05539	0.4
296.08792	0.2
297.09827	1.4
298.10715	1.2
308.09048	0.3
310.06982	0.6
311.07828	14.2
312.08313	0.6
326.10175	100.0
327.10495	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	325.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99841	2.9
55.05500	24.8
57.03420	19.1
57.07068	80.6
58.05825	2.7
59.20443	3.6
61.44624	2.5
62.19419	2.9
67.05493	28.5
69.03412	4.6
69.07060	16.3
71.08620	42.0
73.02910	7.3
79.05486	9.0
81.07039	34.4
83.04967	100.0
83.08616	21.2
85.02909	18.0
85.10167	25.8
91.27156	3.0
93.07028	7.3
94.08745	3.0
95.04963	4.5
95.08595	54.7
97.06506	4.5
97.10154	8.6
99.04456	7.2
99.08097	4.9
107.08590	8.7
109.10141	28.1
118.11282	2.8
121.10131	4.6
123.11709	5.1
125.09609	66.5
137.94121	3.3
155.01901	4.9
165.16347	3.4
171.01363	27.0
180.71054	3.5
183.17416	39.0
227.20018	70.7
227.98936	3.8
237.09752	6.1
279.26791	5.3
281.24734	19.0
303.18008	8.5
306.00003	3.1
325.18039	4.3
325.21680	4.2
325.27390	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	325.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.01866	2.1
57.03430	3.3
60.91286	0.5
61.02906	0.4
69.03419	15.5
69.90327	1.7
69.90750	1.7
71.01321	0.8
71.04974	5.5
73.02884	0.8
81.02924	0.9
81.03400	16.7
85.02867	0.8
91.05466	0.8
99.04435	6.3
111.48772	0.5
117.05484	1.5
117.07103	0.4
118.06522	3.9
121.06524	0.5
137.54462	0.4
145.07552	5.2
147.09131	7.3
162.07860	1.2
163.03883	2.7
163.08653	1.0
173.05606	0.5
173.07086	11.1
175.08626	5.5
191.08119	100.0
192.08453	4.1
205.09782	0.6
231.11299	0.7
233.09192	1.2
247.13455	0.4
271.10678	0.7
289.11734	1.5
307.12827	32.7
308.13165	1.8
325.13864	33.2
326.13959	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	325.1389
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
52.14452	0.4
53.03933	0.6
55.01854	1.1
55.05509	0.4
57.03413	1.5
61.02918	0.6
67.05489	0.5
69.03413	4.7
71.01347	0.4
71.04977	0.6
71.79775	0.7
73.02907	0.9
81.03416	1.8
83.04980	0.6
85.02891	11.0
86.09692	0.6
89.03918	0.5
89.09869	0.4
91.05472	0.5
95.04958	0.6
97.02869	3.7
99.04442	1.9
103.03915	2.3
109.02885	0.7
111.04404	0.8
118.06505	3.0
121.06487	4.9
123.04408	3.3
127.03905	6.7
129.05449	0.5
133.07587	4.1
135.04398	0.8
135.57301	0.4
137.02339	0.5
137.05951	0.5
138.09158	1.8
145.05093	5.6
145.07584	100.0
146.05989	1.4
146.07907	4.2
147.09164	0.7
151.03900	0.5
161.02977	0.5
162.05487	1.2
163.03932	2.5
163.06035	2.5
163.08641	58.2
164.07047	14.3
164.09132	1.9
179.39539	0.4
233.00478	0.4
307.53668	0.4
325.13901	84.6
326.08560	0.5
326.14523	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	324.2528
Annotation	Melophlin O
Peak:m/z	Relative Intensity
55.05509	1.8
56.05027	0.4
57.07066	13.5
58.22901	0.2
63.99433	0.2
67.05498	2.5
68.05004	0.6
69.03418	0.5
69.07051	1.0
70.01675	1.4
70.06581	10.0
71.04971	0.4
71.08619	6.5
75.44912	0.3
79.05491	1.4
80.04994	0.6
82.06570	0.5
83.08622	1.3
83.39306	0.3
85.10168	2.4
86.06058	0.4
91.05450	0.4
93.06962	0.4
94.06560	0.6
95.08580	4.2
96.04485	0.5
96.08112	8.3
97.08389	0.3
97.10148	0.5
98.06032	0.7
105.07016	0.3
106.06535	4.2
107.08593	0.3
108.08116	0.3
109.10146	1.9
114.05539	0.3
114.09158	2.9
120.08080	0.9
123.11699	0.5
124.07574	2.7
132.56003	0.2
138.09132	0.6
140.07030	0.4
142.08614	34.4
143.08968	0.6
153.09177	0.4
155.14282	0.3
176.90050	0.3
180.10178	0.5
183.17412	0.3
260.23712	2.1
261.23929	0.3
265.21664	0.2
278.24750	25.0
279.25034	0.8
306.24203	0.3
324.25275	100.0
325.17984	0.4
325.25659	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	324.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05504	2.4
56.05021	1.2
57.07070	3.7
63.65013	0.4
67.05476	1.6
68.05004	1.5
69.03429	0.5
69.07051	3.8
70.02933	1.1
70.06570	1.4
71.08615	2.4
71.09540	0.4
71.35326	0.7
71.35664	0.6
79.05467	1.7
80.04980	0.5
81.07056	2.9
82.02926	1.2
82.06562	3.1
83.04996	0.5
83.08607	2.2
84.04487	1.8
85.02872	0.4
85.10145	1.3
86.09705	0.7
91.05445	0.9
91.21668	0.5
93.07018	1.4
94.06513	0.5
95.04945	2.0
95.08576	2.7
96.04474	2.2
96.08115	0.7
96.80154	0.4
97.10148	1.1
105.06991	1.5
107.08536	0.9
109.06548	0.5
109.10133	1.1
110.06023	5.1
111.11776	0.4
112.07539	0.7
116.07058	0.4
119.08550	1.1
121.06429	0.5
121.10112	0.6
124.07497	0.5
126.09085	0.6
131.08502	0.6
133.10147	0.4
134.05992	0.4
135.08000	1.0
138.04483	0.7
138.05473	8.1
142.07666	0.7
143.08530	0.9
145.10104	0.8
151.07390	0.6
152.05905	0.5
152.07040	1.0
152.08150	0.7
155.14247	0.6
157.10124	1.3
165.06857	0.5
169.10149	0.7
170.09279	0.5
171.11658	0.5
173.13237	0.6
179.08464	1.0
181.10138	0.7
183.11641	0.6
185.13326	0.6
192.17404	1.4
193.10089	1.0
194.19107	2.2
195.11662	0.5
197.13214	1.1
198.18517	2.5
203.08644	0.6
207.11659	1.1
208.12440	0.6
208.16957	4.2
209.05894	0.6
209.13213	0.6
210.18504	10.6
213.12622	0.7
218.07191	1.8
219.07883	0.7
221.09561	0.7
224.08305	1.2
233.09583	5.1
234.08865	2.4
235.07433	0.6
236.20033	0.7
237.16615	0.5
250.09818	1.3
250.12296	2.6
260.06662	0.4
262.08609	4.3
263.09183	1.0
263.21173	1.4
264.19547	100.0
265.08636	0.5
265.12067	1.2
265.19849	6.3
278.08826	0.3
278.11682	8.2
279.11981	0.8
279.17838	0.4
292.09586	0.8
292.13147	0.6
294.06540	0.7
296.12650	2.9
297.22128	0.7
304.62372	0.5
306.21674	1.4
307.20139	4.7
324.05463	0.9
324.08508	1.5
324.11557	3.0
324.22726	11.0
325.06815	0.7
325.14291	0.5
325.17926	0.8
325.21634	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	324.2164
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01857	0.7
55.05496	1.2
56.05011	0.4
57.07070	0.8
67.05492	4.2
69.07056	10.0
69.66705	3.6
70.06574	0.4
71.04987	0.4
71.08609	0.5
75.14712	0.4
79.05475	2.9
79.05760	0.3
79.86201	0.4
81.07046	7.3
81.07516	0.4
82.76704	0.4
83.04969	3.9
84.08128	1.0
86.09692	100.0
87.10037	2.3
87.65087	0.4
87.92309	0.4
91.05464	8.8
93.07033	12.7
95.04954	2.5
95.08601	2.7
98.20680	0.7
103.05495	0.4
105.07010	13.5
107.04919	0.6
107.08588	2.9
108.08977	0.4
109.06504	8.4
109.10130	1.0
110.37236	0.3
111.08054	3.5
119.08565	4.4
121.10124	1.3
123.04469	0.5
123.08083	1.4
123.11667	0.5
128.10701	5.1
129.06992	1.3
131.08543	3.3
132.10181	31.7
133.06454	1.1
133.10097	18.5
134.10489	0.7
135.08040	0.9
142.07780	0.5
147.07941	0.8
147.11667	11.8
148.11906	0.9
149.09604	1.5
149.13272	1.2
151.07574	2.7
151.11159	41.7
152.11554	1.6
156.10176	0.9
157.10187	0.7
165.12766	1.8
167.14340	0.8
175.11151	4.4
192.06003	0.4
192.13931	0.7
193.12241	4.0
210.14920	0.5
221.04723	1.5
222.14873	0.9
260.20053	7.0
261.20493	1.0
262.04889	0.5
278.21124	30.6
279.21432	1.8
292.05997	3.5
306.20587	7.1
307.20868	0.6
308.05560	0.5
324.08765	3.7
324.12247	0.7
324.21664	22.4
324.24927	0.8
325.08823	0.5
325.22025	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	324.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
60.01794	0.6
65.03934	0.7
67.05502	3.2
69.03417	14.9
69.07029	1.7
70.06592	1.0
71.04969	1.0
71.81601	1.0
79.05466	1.2
81.03397	1.2
81.07028	1.0
84.04506	1.1
85.02885	2.1
87.00787	2.6
89.03889	1.0
91.05466	2.9
95.04947	5.0
98.97554	0.8
99.05524	0.7
105.03375	6.0
107.04945	14.3
109.02872	2.1
109.10139	10.9
111.04436	1.5
111.05522	2.4
116.98605	1.1
117.03365	1.8
119.04890	2.9
122.09670	0.6
123.04392	5.5
125.07088	1.1
126.05488	0.7
127.03857	1.4
127.11174	6.1
129.05460	10.0
133.02832	23.6
134.03569	0.7
135.04419	1.5
139.05009	5.0
145.02837	5.3
147.04395	10.2
148.04745	0.6
149.05923	0.9
150.09119	0.9
151.03891	11.3
152.04250	0.7
152.07040	0.9
161.02312	14.4
163.03842	2.1
165.06915	1.3
166.07324	1.3
167.11771	2.3
170.05898	0.7
170.85509	0.7
175.07506	0.8
177.05431	9.8
179.03366	100.0
180.03696	3.2
190.09691	2.0
191.08130	1.4
194.06798	1.0
195.11258	6.8
197.07132	1.9
198.05554	0.6
206.06892	0.7
218.16167	0.7
221.06027	1.6
222.06270	4.2
223.07153	0.7
225.06485	2.9
234.06456	0.9
237.02791	1.4
240.07471	0.8
250.05748	4.8
253.06020	1.8
268.06860	1.5
278.05185	3.2
279.13235	0.9
280.06668	0.9
281.06909	0.8
296.06354	5.9
306.04971	0.7
309.06207	1.1
324.05731	17.4
324.10443	8.6
324.15424	12.0
325.08240	6.8
325.14120	1.3
327.07462	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2575
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
55.05504	18.4
57.03421	14.5
57.07064	100.0
60.36816	1.7
63.56121	1.9
67.05492	40.2
68.05840	1.7
69.07052	10.4
71.05009	3.0
71.08617	55.5
75.04446	2.2
75.54855	1.9
78.20895	2.0
79.05470	7.1
79.23663	1.8
81.03390	3.0
81.07040	45.5
82.07392	2.4
83.05029	2.4
83.08595	18.4
85.06496	2.3
85.10165	35.7
91.05467	5.0
93.07027	6.9
95.04964	5.1
95.08588	99.2
96.08921	4.3
97.06517	2.5
97.10149	7.5
98.20571	3.4
105.07021	9.2
107.08562	5.7
109.06470	3.1
109.10139	38.6
119.08562	6.0
121.06529	2.4
121.10132	3.7
123.08049	27.6
123.11680	11.3
132.18739	1.7
133.10106	5.7
135.07999	2.0
135.11691	3.3
137.09560	2.3
151.07533	2.2
151.11153	5.0
152.11459	4.0
155.14256	4.3
156.14650	2.6
161.13156	2.3
163.30173	2.1
165.16356	3.6
183.17398	38.8
217.94926	2.0
227.07796	2.1
237.21266	1.8
249.22099	33.6
267.23242	3.7
277.25314	11.1
279.08450	4.7
287.23462	2.5
293.06516	3.0
305.24728	39.2
306.24854	1.9
307.07965	6.1
323.11075	17.8
323.25800	3.7
324.08380	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	323.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79770	3.2
51.75316	2.5
67.08093	3.1
70.04897	13.4
72.53095	2.8
94.92999	4.3
98.20747	2.9
112.89527	3.8
134.54619	2.8
136.48602	3.4
212.85252	3.2
239.25633	3.2
248.89656	8.0
282.17047	2.9
284.39584	3.2
323.07321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03435	1.4
65.90298	0.6
69.03419	2.1
70.06580	2.0
71.04997	0.8
71.78814	0.7
79.05490	0.9
80.05012	1.7
81.03413	1.3
81.07044	1.4
83.04953	1.3
84.08105	1.2
85.02895	2.4
89.06023	0.8
91.05424	1.4
93.07007	1.1
94.06541	0.7
95.04948	1.7
97.02924	1.4
100.03997	0.9
103.05432	1.2
107.04940	1.0
107.08656	0.8
109.02869	0.9
109.06517	0.9
111.04395	0.9
115.05444	1.4
120.08089	2.0
121.02838	1.2
121.06518	0.8
123.05533	49.1
127.03902	1.2
128.04904	0.9
130.04974	2.2
130.06508	35.5
131.06854	1.6
132.04442	2.9
133.02815	0.8
134.05963	1.0
134.37340	0.7
135.04469	1.6
135.05521	5.2
136.07594	0.9
137.05936	1.4
143.06973	1.2
144.04784	1.3
145.02798	1.0
145.04939	1.0
145.07550	1.1
146.05989	22.3
147.04381	2.6
148.03906	2.1
149.02254	1.3
149.06006	1.0
151.03896	0.8
151.05000	3.0
151.07664	0.9
153.05510	1.0
156.04407	8.7
157.07562	5.1
158.05989	100.0
159.06358	4.1
162.03705	3.4
162.05472	22.7
163.03880	4.3
163.05058	1.2
165.06966	2.7
166.08661	1.5
173.02895	2.3
173.07083	43.8
174.03778	1.9
174.05493	11.1
174.07231	1.6
175.12239	0.8
177.05498	1.5
178.96477	0.8
180.07648	16.1
186.03696	0.7
186.05452	0.8
190.05014	1.3
193.06448	2.8
195.11238	0.9
198.08702	0.8
199.04884	1.3
201.06554	3.1
202.04987	7.4
203.08147	3.9
205.06374	0.9
218.11734	1.1
219.03462	2.2
221.05980	7.6
239.06905	1.3
241.05913	1.0
243.07585	4.2
244.08035	0.8
249.05447	10.1
250.06079	1.0
259.07111	17.5
260.07376	0.9
261.08667	9.0
267.06516	2.3
277.05029	5.0
277.07767	1.0
279.06509	0.9
287.06613	4.9
295.05957	10.7
305.04468	2.0
305.07602	4.3
305.10947	1.2
306.04205	2.4
323.05429	23.5
323.11688	20.4
323.15903	3.8
324.05771	2.3
324.10760	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0544
Annotation	Pongamone D
Peak:m/z	Relative Intensity
55.01843	0.8
58.99592	0.2
61.15825	0.2
64.08813	0.2
68.99767	0.2
70.06567	0.3
77.39259	0.2
81.03378	0.3
81.07027	0.3
91.05445	0.4
95.04902	0.3
105.03391	0.4
109.02840	0.2
117.03281	0.2
119.04925	0.6
120.05226	0.4
121.02830	0.5
123.04420	0.9
127.88347	0.2
131.40010	0.2
133.02829	1.5
133.19234	0.2
135.04333	0.2
137.02287	0.4
141.06953	1.1
141.44156	0.2
145.02777	0.4
147.04399	2.1
148.04716	0.8
149.04909	0.9
151.03828	0.3
152.06213	0.3
153.06946	0.9
155.08517	0.8
159.04395	0.2
161.02315	0.8
162.03139	0.3
163.03934	1.3
163.05211	0.3
165.01828	0.3
165.06976	12.9
166.07365	0.4
167.08511	0.2
168.05676	0.5
169.06467	0.8
173.02365	0.4
175.03883	0.3
175.05377	0.2
176.06137	1.0
177.06973	2.1
179.04880	0.3
181.06422	0.5
183.07973	1.0
187.03893	0.5
192.05595	0.3
193.06467	10.0
194.07005	0.4
195.08052	0.5
197.05951	1.9
203.04953	1.1
204.05330	0.2
205.06458	3.5
207.02740	0.3
207.04504	0.3
210.06735	0.4
211.07504	3.4
213.05414	0.2
220.05072	0.3
221.05943	29.8
222.06261	1.2
223.07550	1.2
224.04703	0.2
225.05406	1.8
231.04507	1.0
233.05923	1.7
236.04556	0.3
237.05373	0.5
238.06203	0.4
239.06999	7.9
239.09436	0.5
240.07301	0.2
248.04579	0.2
249.05434	34.3
250.05919	2.6
251.07097	0.9
253.04889	0.9
259.03854	1.0
261.05374	0.8
265.04971	0.4
266.05701	1.2
267.06491	7.6
268.06763	0.5
277.04916	21.6
278.05463	2.1
279.06464	4.4
280.06595	0.2
281.04373	0.7
294.05310	0.7
295.05975	35.6
296.06284	1.5
305.04398	6.4
306.05103	0.2
323.05450	100.0
324.05716	4.5
324.09198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
55.05475	1.4
61.02892	2.4
67.05467	1.5
69.03429	8.2
70.06571	2.3
70.96650	3.6
71.04958	1.5
71.48797	1.2
73.02888	1.9
81.03403	3.1
81.07049	2.5
84.04507	1.6
85.02888	15.5
86.09682	4.2
87.04431	1.8
91.00996	1.3
91.05479	1.9
93.06993	1.7
96.45279	1.3
97.02869	6.2
107.04923	3.8
109.02865	3.3
117.03337	2.2
121.02798	1.5
123.04408	3.3
123.05540	3.6
125.09611	1.5
127.03891	4.4
133.02815	3.3
136.07559	1.8
141.06856	2.3
143.01073	1.6
145.02832	4.7
147.04384	6.0
149.06084	2.4
149.07416	10.7
153.54509	1.4
161.02089	38.6
161.05991	2.0
162.05467	15.2
163.03903	3.8
165.06969	18.3
177.05450	7.5
177.06998	3.8
179.03378	5.8
181.06401	1.3
183.07979	1.5
185.04189	56.6
187.03961	2.1
193.06459	14.1
197.06003	3.3
203.05219	16.6
205.06454	7.4
211.07497	3.5
215.76181	1.3
217.04904	1.9
221.05946	45.7
221.08119	2.7
223.07484	2.6
233.05974	6.0
239.07013	8.3
249.05443	48.1
250.05960	5.1
253.04787	2.2
259.03918	1.8
261.05411	2.9
262.10986	2.4
263.05515	2.7
267.06464	13.0
277.04898	29.5
278.05591	2.4
279.06393	7.0
295.05972	55.2
296.06247	3.3
305.04416	11.0
305.11118	2.1
323.05518	100.0
323.11099	23.9
323.15823	2.2
324.05420	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	323.0546
Annotation	Pongamone D
Peak:m/z	Relative Intensity
55.01868	1.0
68.99773	0.3
69.89423	0.5
69.89833	1.2
70.06567	0.3
74.83604	0.2
95.04913	0.2
98.20763	0.3
105.03382	0.4
105.06976	0.3
107.08536	0.3
109.02853	0.2
117.03373	0.3
121.02818	0.5
123.04426	0.7
126.47636	0.2
133.02827	0.9
135.11690	0.3
141.06956	0.9
145.02837	0.9
147.04378	0.5
152.06200	0.7
153.07004	0.8
155.08530	1.1
161.02275	0.6
161.81688	0.2
162.03130	0.3
163.03897	1.0
165.06981	14.5
166.07347	0.7
167.08502	0.5
168.05606	0.2
169.06465	1.1
173.02318	0.7
175.03909	0.5
175.05235	0.3
176.06163	2.4
177.05487	0.3
177.06946	3.3
179.04878	0.3
181.06483	0.6
183.08067	1.1
187.03885	0.6
192.05685	0.3
193.06458	11.4
194.07069	0.9
195.08035	0.7
197.05980	1.6
201.01819	0.6
203.04913	0.9
205.06450	5.4
205.08218	0.4
207.02806	0.4
210.06721	0.6
211.07497	3.8
213.05359	0.3
220.05081	0.3
221.05943	33.7
222.06332	2.1
223.07494	1.4
225.05453	1.6
231.04381	0.9
233.05930	4.1
234.06476	0.5
237.05443	0.5
238.06163	0.6
239.06999	7.4
240.07312	0.5
248.04803	0.3
249.05449	37.5
250.05946	3.6
251.07048	1.1
253.04929	0.8
259.03922	1.2
261.05444	2.4
262.05688	0.3
265.04999	0.3
266.05676	1.0
267.06503	9.1
267.51672	0.2
268.06931	0.6
277.04919	24.3
278.05429	2.4
279.06476	5.0
279.09348	0.4
280.06873	0.4
281.04504	0.5
294.05002	0.4
295.05978	35.2
296.06296	2.4
305.00879	0.4
305.04401	7.6
306.04840	0.6
323.05453	100.0
324.05768	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	323.0545
Annotation	7,7'-Dihydroxy-3,8'-biscoumarin
Peak:m/z	Relative Intensity
55.01853	1.1
67.05490	0.3
70.06584	0.8
70.54265	1.3
79.05482	0.4
81.03410	0.4
81.07023	0.4
85.02890	0.4
86.09674	0.5
97.02827	0.4
98.65610	0.3
105.03376	0.9
107.04900	0.6
107.08540	0.8
121.02848	0.5
123.04424	0.7
125.09576	0.6
126.09923	0.8
133.02806	1.4
139.62189	0.3
141.06885	0.8
145.02823	0.9
146.06021	0.3
147.04361	0.6
152.06177	0.7
153.06941	1.0
155.08522	1.0
161.02280	0.8
161.07895	0.5
161.09534	0.3
161.46143	0.3
163.03838	1.1
165.06966	16.5
166.07367	0.5
167.08516	0.5
169.06447	1.3
173.02344	0.4
174.05397	0.6
175.03900	0.4
176.06088	2.5
177.06982	3.5
178.07567	0.4
179.03403	1.0
179.04839	0.5
181.06445	0.9
183.08026	1.4
187.03874	0.4
193.06451	12.4
194.07091	0.6
195.07993	0.9
197.05933	1.5
201.01740	0.4
203.04893	0.7
205.06458	6.7
207.02800	0.5
210.06682	0.6
211.07498	3.6
212.07912	0.6
220.05121	0.4
221.05943	33.2
221.22522	0.3
222.06375	1.9
223.07538	1.8
223.94240	0.3
225.05418	2.1
226.06172	0.4
231.04402	1.1
233.06001	4.2
237.05446	0.5
238.06277	0.4
239.06981	7.0
240.07190	0.5
247.29979	0.3
249.05429	39.6
250.05879	3.3
251.06987	1.1
253.04967	0.9
259.03885	1.2
261.05405	2.8
266.05704	1.2
267.06488	8.9
268.06778	0.6
277.04919	25.9
278.05347	2.2
279.06473	4.7
280.06583	0.4
281.04443	0.8
283.59122	0.3
294.05124	0.9
295.05969	36.2
296.06161	1.8
305.04428	7.6
306.04788	0.8
323.05444	100.0
324.05762	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18742	0.2
55.01842	1.1
57.02480	0.2
65.03935	0.3
70.06558	0.6
71.50302	0.4
71.50620	0.3
72.08119	0.6
81.07004	0.3
84.08098	0.3
86.09653	0.3
91.05441	0.6
95.04918	0.6
104.06410	0.3
105.03352	0.4
109.02853	0.3
113.04803	0.3
121.02848	1.3
123.04414	1.3
124.07597	0.4
129.06830	0.4
133.02838	1.1
136.07556	0.6
137.02180	0.3
141.06952	1.1
145.02774	0.8
147.04367	0.6
152.06157	0.5
153.06970	0.8
155.08505	1.0
155.52815	0.3
161.02319	1.0
163.03880	1.3
165.01888	0.3
165.06969	15.1
166.07269	0.7
167.08466	0.3
168.05690	0.5
169.06435	1.3
173.02333	0.9
176.06161	2.6
177.05434	0.6
177.06923	3.3
179.04742	0.4
181.06395	0.7
182.06987	0.3
183.07979	1.3
186.83391	0.3
187.03860	0.7
192.05608	0.4
193.06459	11.9
194.06902	0.6
195.08015	0.7
197.05962	1.7
201.01828	0.5
203.04868	1.0
205.06461	5.1
206.06824	0.4
210.06659	0.5
211.07497	3.8
220.05273	0.4
221.05934	34.7
222.06374	2.1
223.07532	1.4
225.05389	1.7
231.04333	0.8
233.05933	3.5
234.06650	0.4
237.05453	0.4
238.06169	0.3
239.06982	7.9
240.07361	0.5
249.05429	38.7
250.05940	3.7
251.06960	1.2
253.04913	1.4
259.03848	1.1
261.05414	2.7
264.04230	0.3
266.05713	1.2
267.06485	9.4
268.06815	0.4
277.04910	24.9
278.05325	2.4
279.06485	5.3
280.06635	0.3
281.04355	0.7
294.05231	0.5
295.05963	37.6
296.06287	2.0
305.04385	8.3
306.04623	0.8
308.03210	0.3
323.05438	100.0
324.05801	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10992	0.2
54.12086	0.2
55.01863	1.1
56.24068	0.2
59.44829	0.2
65.03924	0.4
67.05470	0.3
68.99779	0.3
69.03410	0.5
70.06567	1.0
71.04958	0.4
71.79646	0.4
71.80032	0.3
72.08141	0.3
78.78729	0.2
80.66490	0.2
81.07032	0.5
84.08103	0.4
85.02888	0.2
86.09678	1.0
91.05464	0.4
93.07027	0.5
93.36364	0.3
95.04920	0.3
95.08560	0.3
97.02878	0.5
98.58941	0.2
105.03375	0.6
105.07012	0.5
107.04920	0.6
107.08582	0.5
107.75330	0.2
108.08892	0.3
109.02869	0.3
109.10128	0.3
111.04423	0.3
116.07072	0.5
120.04459	0.3
121.02858	0.8
123.04391	1.0
123.05536	0.4
126.09954	0.4
129.38072	0.2
133.02798	1.3
133.06342	0.2
135.04404	0.3
137.02293	0.4
141.06947	0.8
145.02808	0.5
146.05989	0.4
147.00764	0.3
147.04405	0.6
149.02295	0.4
149.09656	0.4
151.03865	0.3
152.06154	0.5
153.06969	0.7
154.07683	0.3
155.08542	1.0
161.02295	0.8
162.03146	0.2
162.05493	0.5
163.03885	1.3
165.06973	15.3
166.07269	0.7
167.08559	0.7
168.05679	0.4
169.06442	1.0
173.02344	0.8
174.05467	0.8
176.06172	2.7
177.05489	0.4
177.06961	2.9
179.03348	0.8
179.04900	0.5
181.06474	0.9
183.07988	1.5
186.05452	0.4
187.03835	0.4
192.05753	0.3
193.06456	11.3
194.07063	0.8
195.07928	0.6
196.94797	0.3
197.05954	1.7
201.01842	0.3
203.04958	0.8
204.06570	1.6
205.06462	5.8
205.08423	0.3
207.02708	0.3
207.04512	0.5
208.05066	0.3
209.06032	0.3
210.06804	0.6
211.07512	3.8
221.05939	30.9
222.06245	2.5
223.07498	1.9
225.05382	1.6
226.05853	0.3
228.06392	0.5
231.04376	0.9
233.05974	4.1
233.08147	0.5
237.05417	0.6
238.06248	0.5
239.06995	8.2
240.07240	0.6
249.05437	38.7
250.05902	4.2
251.06972	1.1
253.04865	0.8
258.07587	0.5
259.03885	1.2
260.04678	0.2
261.05414	2.8
262.05896	0.4
263.05814	0.3
265.04883	0.3
266.05588	0.6
267.06512	9.4
268.06897	0.5
277.04913	25.5
278.05319	2.7
279.06485	5.5
280.06274	1.0
281.04428	0.7
294.05164	0.7
295.05969	35.7
296.06354	2.6
305.04398	8.1
306.04715	0.5
309.06693	0.4
323.05450	100.0
324.05597	7.6
324.08777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2734
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
55.05489	0.8
57.07066	3.6
58.53629	0.2
62.23804	0.1
67.05479	1.2
67.21239	0.2
68.04984	0.2
68.22215	0.1
68.70731	0.2
69.03405	0.2
69.07052	0.8
70.06563	0.3
70.80305	0.2
70.94836	0.4
71.08617	3.9
72.04493	1.0
76.85661	0.1
78.53401	0.2
79.05464	0.5
80.05009	0.3
80.72298	0.2
81.03412	0.2
81.07038	2.2
82.06556	0.4
83.08611	0.4
85.10162	2.5
91.05444	0.4
93.07014	0.5
94.06564	0.2
95.04950	0.2
95.08590	2.3
96.05753	0.3
96.08133	0.3
98.06033	1.0
98.22466	0.2
104.68815	0.2
105.06992	0.3
107.07319	0.5
107.08566	0.4
108.08097	0.3
109.06534	0.3
109.10136	0.4
110.05995	0.3
112.07584	0.2
112.39060	0.2
120.08907	0.2
121.10142	0.3
122.09643	0.3
124.07557	1.2
124.11208	1.3
133.10092	0.4
135.07950	0.2
138.09018	0.2
143.85098	0.2
147.76193	0.2
150.12727	0.8
151.11191	0.2
152.07024	1.2
154.08583	0.7
155.14264	0.5
158.06323	0.2
166.08560	1.3
166.12254	1.3
167.09384	0.6
168.13808	4.7
180.10173	0.3
194.11699	0.4
199.16908	4.7
264.06387	0.4
266.21906	0.3
278.08127	1.3
278.21198	0.5
279.08795	0.4
280.22699	1.1
290.08023	0.3
292.05981	1.7
293.06702	0.5
304.27078	0.2
306.07489	1.3
307.08276	0.7
322.10703	7.1
322.27344	100.0
323.10925	0.9
323.27695	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	322.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79572	0.6
53.03925	0.8
53.76440	0.5
55.01843	1.3
55.05499	0.6
57.03431	2.8
61.02919	3.0
62.98849	0.6
69.03421	9.3
69.07045	1.0
69.90900	3.4
69.91311	1.3
70.06564	1.7
71.04980	1.0
73.02916	3.3
79.05467	1.1
81.03410	3.7
81.07013	1.1
82.25677	0.5
84.08096	0.8
85.02895	12.6
87.04467	2.7
89.03896	0.7
91.03906	0.9
91.05460	1.1
97.02859	4.8
97.06453	0.8
98.21413	0.7
98.28321	0.6
99.04419	1.4
99.08049	1.7
103.03934	0.6
109.02824	1.6
115.05458	2.8
116.07084	0.7
117.06973	1.4
119.04900	0.7
122.01854	0.6
123.05525	1.1
125.05956	1.1
127.03899	2.9
128.06218	0.7
130.06477	4.3
131.07167	0.5
132.08075	7.4
142.06497	26.4
142.08601	4.2
143.07243	7.6
144.08069	14.4
145.02838	0.7
145.06448	1.0
147.04378	1.8
155.06032	1.0
158.06009	4.5
159.06740	1.8
160.07553	78.6
160.09720	2.7
161.02298	0.7
161.07899	2.6
163.03889	2.0
165.07021	1.9
172.07549	1.0
184.07576	0.8
193.06487	1.0
202.08546	0.9
211.07462	0.8
221.05948	4.4
233.05952	0.7
239.06937	0.8
249.05437	5.9
267.06613	1.5
277.04996	3.4
277.07700	0.7
286.12671	0.7
295.05981	5.3
314.30832	0.6
322.12820	100.0
323.05386	14.2
323.13184	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	321.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	17.5
57.07061	72.5
59.05003	5.6
64.43151	2.7
67.05492	24.8
69.07062	33.1
70.44199	12.4
71.04980	6.2
71.08620	100.0
73.06555	4.4
79.05463	8.4
81.06599	4.6
81.07045	71.6
81.07527	4.0
83.04975	4.6
83.08599	9.7
85.06531	4.4
85.10161	53.5
89.41773	2.5
90.95281	2.7
91.05461	16.7
93.07027	51.1
95.04951	3.8
95.08591	70.2
97.10152	6.8
105.07016	55.6
107.08576	35.7
109.06503	15.9
109.10139	25.6
117.06949	4.4
119.08553	24.2
121.10137	20.4
123.08092	3.8
123.11670	8.1
131.08548	15.9
131.09441	2.4
133.10107	81.7
135.08009	3.0
135.11571	3.6
137.13234	11.0
145.10072	6.7
147.11696	6.2
149.13240	9.8
151.11128	21.2
155.14276	91.4
156.14676	4.2
159.11662	11.1
159.47888	2.6
231.21013	5.9
233.22620	9.4
235.20532	3.6
237.22122	8.7
245.22707	3.0
249.22107	15.8
261.22153	6.3
275.27194	3.4
285.25766	8.9
303.26819	24.6
306.07709	3.0
321.27841	18.6
322.10669	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	322.1066
Annotation	Teliglazine
Peak:m/z	Relative Intensity
51.86798	0.3
59.70119	0.3
65.13616	0.3
70.41518	1.4
78.02981	0.3
139.59416	0.3
145.51912	0.3
178.65324	0.3
179.22498	0.3
190.06662	0.4
193.06520	0.5
204.08145	1.5
216.08023	0.5
219.04376	0.4
223.09868	1.5
232.07562	1.8
233.08308	2.0
234.09077	0.3
236.07004	0.9
248.07112	0.4
249.05428	1.9
249.07875	1.6
250.08582	5.0
251.09297	0.4
260.06982	0.4
261.07840	2.2
262.08539	2.2
263.09341	0.9
264.06595	2.1
265.07327	0.5
274.04913	1.6
276.06659	1.8
277.07315	0.8
278.08090	24.1
279.08801	3.3
289.07175	0.5
290.08063	5.1
292.05991	6.2
293.06778	5.0
294.11203	1.1
304.05963	1.0
306.07559	25.4
307.08286	5.9
322.10693	100.0
323.11053	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	321.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.2
57.03415	5.2
57.07066	29.1
57.69214	1.0
67.05489	13.2
69.07050	8.4
69.52071	11.1
71.04977	16.8
71.08617	37.4
71.09007	2.6
73.06537	1.3
76.37013	1.0
79.05478	7.6
81.07040	27.6
83.08591	4.1
85.10168	19.4
91.05464	5.2
93.07025	16.2
95.08588	29.0
97.10146	1.3
98.21471	2.5
105.07016	10.6
107.08579	14.6
109.06485	6.2
109.10139	9.2
117.06992	1.8
119.08552	5.1
121.06429	1.0
121.10111	5.7
123.08042	20.8
123.11670	3.0
131.08595	2.7
133.10100	12.9
135.11676	1.8
136.08887	1.2
136.54968	1.4
137.13220	4.7
149.13245	8.5
151.11159	100.0
151.95222	1.2
152.11482	1.9
155.14294	27.5
159.11740	2.3
159.15573	1.2
192.93982	1.3
233.22597	10.7
235.20555	47.0
236.20856	2.0
265.21622	2.0
278.08154	3.0
285.25784	2.6
290.07983	1.5
292.05966	2.8
303.26779	9.6
306.07687	2.1
307.08203	1.5
321.27908	12.3
322.10693	12.7
322.27704	1.2
340.30789	1.2
340.74454	1.3
340.82526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36238	1.3
52.08271	1.2
55.05506	12.5
57.03440	2.3
57.07068	31.0
59.12918	1.4
60.37647	1.4
62.06076	4.2
67.05499	18.1
69.07056	12.2
70.78782	5.0
71.04971	5.6
71.08619	46.1
79.05475	11.7
81.07042	41.0
83.04945	2.1
83.08607	7.4
85.06532	4.3
85.10172	24.8
91.05456	27.0
93.07033	26.3
94.07359	2.2
95.04945	5.4
95.08590	41.6
97.06513	3.8
97.10166	4.8
103.05456	1.7
105.07011	58.0
105.07709	3.5
107.08576	17.2
109.06522	3.4
109.10114	10.8
111.08079	5.6
117.07005	6.8
119.08561	8.8
121.06512	4.9
121.10083	7.1
122.06796	7.4
123.07173	2.9
123.08060	6.5
123.11696	2.7
129.06999	1.6
131.08553	11.2
133.10104	100.0
134.10413	3.8
135.08063	2.2
135.11670	4.5
137.13243	5.2
143.08537	1.9
145.10107	12.0
147.11673	4.2
149.09682	1.8
149.13240	6.3
151.11156	24.3
151.14798	1.9
155.14282	31.6
159.11664	6.9
173.13304	2.6
175.14824	3.7
193.15927	1.7
197.18968	3.8
200.19157	2.4
211.16931	4.0
229.61252	1.4
231.29765	1.5
233.22598	2.2
235.20523	10.6
245.22610	3.0
261.22375	1.5
261.25769	2.0
263.23645	1.7
263.70352	1.4
264.06409	1.6
265.21591	26.6
275.23776	2.2
275.27206	1.9
278.08014	3.0
285.25797	16.5
286.25830	1.8
292.06067	3.4
294.10928	1.5
303.23428	2.8
303.26746	16.6
306.07532	3.6
307.08231	2.0
321.24841	12.2
321.27969	5.3
322.10699	15.2
322.27859	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
57.07066	1.8
59.04993	0.9
60.04510	2.0
61.01139	2.0
66.38811	0.7
67.05515	1.3
69.03403	0.8
69.58608	6.7
70.06577	2.0
71.04994	0.9
72.04505	13.9
78.03783	8.0
79.05499	0.8
81.03345	0.9
81.07015	0.9
85.06512	2.1
86.06049	2.4
86.09702	1.0
88.02203	2.1
91.05483	0.9
93.07032	0.9
95.04937	1.9
98.02407	0.9
99.05589	4.4
102.03755	8.9
103.02148	27.8
111.15033	0.8
113.06002	2.9
114.03785	5.9
114.05511	39.2
120.04790	23.0
120.08069	1.4
120.23760	1.0
120.58430	0.7
124.07598	1.2
130.09680	0.8
131.06351	2.5
132.04759	9.8
142.08623	6.4
147.04387	2.6
149.07417	17.5
159.05840	9.4
162.05791	1.3
174.05814	4.6
174.08769	2.3
175.05319	1.2
175.85097	0.9
177.05374	0.9
184.09708	2.1
191.08461	100.0
192.08771	3.4
201.06990	1.0
260.12769	1.1
261.12607	1.1
266.87296	0.9
276.80835	0.8
285.12262	1.3
303.13666	36.0
304.14163	1.2
304.37241	0.8
321.03897	1.7
321.07352	1.7
321.15067	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0962
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.03941	0.5
56.05019	0.5
57.07085	0.5
65.03931	0.7
67.05495	0.6
70.06573	1.5
70.40312	2.2
81.07033	1.1
83.04945	0.6
84.04494	1.0
89.47569	0.4
91.05468	13.9
92.22505	0.5
93.07034	0.9
95.04964	3.0
102.05552	0.6
105.07014	0.6
111.04401	0.5
112.07587	0.8
113.07910	0.6
119.04923	28.4
121.02840	0.7
123.48965	0.4
126.66522	0.4
139.03899	0.9
140.09485	0.5
147.04384	100.0
148.04730	1.9
154.68658	0.5
165.05464	1.8
203.70479	0.4
222.05386	0.5
236.06999	0.8
247.10733	0.9
264.06512	3.7
266.08044	0.6
275.10266	1.0
278.07889	0.5
279.05536	0.8
279.08884	0.8
286.16348	0.5
294.07492	2.6
303.61386	0.6
314.19656	0.4
321.06158	1.2
321.10577	0.7
321.14450	0.5
322.07019	10.1
322.10736	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	321.0962
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.03913	0.8
54.23633	0.4
54.79716	0.5
55.01862	0.6
55.05478	1.7
65.03915	5.7
66.01412	0.5
67.05493	3.0
69.03377	0.8
69.07046	0.5
69.75182	2.9
69.75585	1.4
70.06560	1.7
71.04957	0.6
76.22224	0.5
78.22204	0.5
79.05467	1.1
81.03411	2.0
81.07021	2.0
83.04954	3.2
84.04503	1.1
85.02873	0.6
86.09694	0.7
91.05459	9.6
92.05807	0.7
93.03382	2.5
93.07026	1.5
95.04965	2.8
95.08577	1.1
107.04899	2.8
107.08573	0.7
109.02844	1.5
109.10137	0.8
111.04423	16.7
119.04915	23.7
119.08573	1.1
120.05230	1.0
121.02848	0.8
121.10115	0.8
123.04395	0.6
125.37082	0.5
127.03880	1.1
135.11668	0.7
136.07567	1.0
137.02321	29.9
137.03429	1.7
138.02605	0.9
139.03012	0.4
139.03867	18.5
147.04376	100.0
148.04718	2.8
149.05963	0.6
155.03355	16.0
156.03705	0.7
157.04880	2.0
160.07576	0.6
165.05446	9.0
167.03395	6.5
170.05960	0.5
177.05374	0.8
203.03371	0.8
231.17438	1.0
249.18367	0.8
267.11176	1.0
284.55423	0.5
285.12256	1.2
285.20557	0.5
289.11829	0.5
303.08673	1.6
303.12494	0.6
321.04236	0.7
321.07452	3.3
321.14182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0962
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
63.06467	0.3
65.03924	1.1
67.05452	0.4
69.61208	3.1
70.33569	0.3
75.58885	0.3
78.36597	0.3
79.88209	0.3
84.75731	0.3
91.05460	9.7
95.04951	3.3
96.19598	0.4
118.06482	0.4
119.04919	27.0
120.05254	1.1
121.02807	0.5
130.06520	1.0
132.08049	0.4
134.62125	0.3
136.07590	0.3
139.03867	1.6
146.05949	0.7
147.04376	100.0
148.04710	4.2
155.15131	0.3
159.09213	0.8
164.07080	0.7
165.05414	2.4
182.08136	0.3
188.07014	1.1
221.81567	0.3
259.14496	1.0
264.06546	0.6
275.10306	0.8
279.08881	0.6
322.10629	3.7
329.68521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79663	2.3
70.24973	12.2
85.02894	3.3
98.20738	2.8
101.00845	3.5
115.02395	3.6
119.01874	8.1
129.03941	3.0
131.01892	3.5
133.03455	9.8
143.01973	2.5
147.04977	3.3
159.05054	3.1
161.02916	3.8
171.05026	3.2
173.02866	2.7
215.00275	2.6
219.07040	6.0
221.05101	3.7
231.07112	6.8
245.05070	3.5
247.02948	2.8
267.80356	2.4
295.53522	2.3
321.09579	100.0
322.09869	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	320.2217
Annotation	Protoemetinol
Peak:m/z	Relative Intensity
54.37932	0.6
55.05495	2.1
57.06834	0.6
57.07071	6.9
67.05495	2.8
69.07037	1.7
71.04947	1.9
71.08620	10.6
79.05470	1.0
81.07046	5.1
83.08589	1.0
83.74902	0.6
85.10165	5.0
91.33437	0.6
95.08591	6.9
103.05402	0.6
104.76444	0.5
107.04945	1.1
108.05770	0.7
111.08022	0.7
120.08060	2.0
122.06007	5.7
123.08039	0.8
130.06494	1.2
133.05193	2.4
134.05977	1.5
146.05983	16.2
147.06750	1.0
148.07545	24.7
150.05531	0.8
155.14265	2.1
158.05994	1.0
159.06767	5.3
172.07564	2.5
176.07053	3.1
184.07629	1.0
186.09114	0.6
216.30923	0.8
284.20047	6.8
302.21094	100.0
303.21414	5.0
320.22177	10.9
320.25888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.06
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
53.03951	0.6
55.01653	0.4
55.01897	1.5
55.05519	0.7
65.03928	11.7
65.96024	0.3
67.05486	1.9
68.99813	1.2
69.03445	0.6
70.06611	0.9
71.01356	0.9
71.78547	0.6
72.93793	0.7
79.05504	1.1
81.03405	6.3
81.03854	0.4
81.07047	2.0
83.04987	1.1
84.08149	0.4
85.02922	0.6
85.06564	0.6
89.35593	0.4
91.05496	0.6
93.03386	5.7
93.03902	0.5
93.07073	0.7
95.04971	1.1
95.08588	0.9
96.08213	0.4
97.02907	0.5
105.07057	0.8
107.01340	0.9
107.04953	1.4
107.08592	0.7
109.02866	3.6
109.10165	0.6
111.04425	42.9
112.04781	0.7
113.96420	0.9
119.04942	1.6
119.08597	0.7
121.10159	0.8
123.11773	0.4
127.03886	3.3
131.97466	0.4
134.05991	0.4
136.07588	0.6
137.02327	100.0
137.03407	7.3
138.02631	2.0
139.03877	40.8
140.04211	0.8
143.08540	0.4
145.02866	0.6
147.04390	8.2
149.02217	0.4
153.01811	0.6
155.03365	57.1
156.03635	1.0
163.14792	0.4
165.01828	1.3
165.05484	1.4
167.03374	23.8
177.05447	0.8
183.02866	1.7
210.96848	2.5
228.97847	1.4
238.96333	0.4
243.11455	0.5
256.97278	0.8
257.09122	0.6
275.05356	1.0
275.10098	0.7
279.98865	0.7
303.16064	1.2
321.03925	0.8
321.10559	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	320.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88960	0.8
55.01865	1.6
55.93509	1.4
59.35064	0.9
60.04509	2.1
61.02913	1.2
67.05498	1.0
68.19649	0.9
69.03411	2.1
69.07051	2.7
69.80473	1.8
69.80889	5.4
70.06581	10.1
71.68343	0.9
72.08130	1.0
79.05495	1.1
81.03408	2.1
81.07040	1.2
83.04950	2.4
84.04498	3.6
84.08138	1.4
85.02885	6.4
86.09698	3.0
94.06543	6.8
95.04951	3.1
95.07326	1.4
96.04470	5.4
96.08114	3.0
97.02879	2.3
98.06037	9.3
102.05539	1.6
107.04958	1.0
108.49415	0.9
109.02860	2.8
111.04426	1.4
112.07594	6.4
113.05980	1.9
114.05508	16.6
114.92485	1.0
119.04887	1.1
122.05988	2.0
123.04409	23.2
123.05251	1.7
127.03850	1.1
128.07088	1.0
135.04396	1.0
136.07483	1.4
138.05515	1.5
138.09103	4.8
139.03880	1.5
140.07037	60.6
141.05463	3.1
141.07330	1.8
145.04897	1.3
146.05998	1.0
147.04376	3.1
158.08101	100.0
159.08450	2.1
163.03795	2.2
173.12804	1.8
180.14288	1.0
201.12413	1.1
218.02280	1.0
221.09216	1.6
232.04118	1.2
240.12268	2.1
258.13370	3.9
276.14285	0.9
302.12213	3.7
321.09381	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	320.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.0
56.05021	2.0
56.05275	0.1
57.07022	0.0
64.48367	0.0
67.05464	0.1
69.07034	0.1
69.65984	0.1
69.66424	0.2
73.84956	0.0
81.07033	0.0
91.05437	0.1
92.05772	0.1
93.06994	0.0
95.08542	0.1
122.65467	0.0
147.65297	0.0
149.09595	0.2
150.09959	0.2
163.05295	0.0
165.07018	0.1
179.08611	0.1
189.06853	0.1
193.06416	0.0
203.07309	0.0
204.07797	0.2
205.06393	0.1
206.09500	0.2
207.08121	0.1
207.10258	0.1
216.08037	0.1
217.08803	0.1
218.07510	0.1
218.09660	0.1
219.06622	0.0
219.10352	0.1
220.11182	0.1
230.09583	0.3
231.10312	0.3
232.07530	0.8
232.11092	0.1
233.08224	0.2
234.09068	2.4
235.06078	0.1
235.09641	0.2
236.06993	0.5
239.07150	0.0
244.07474	0.1
246.09090	0.6
247.09859	2.5
248.06978	0.1
248.10626	2.2
249.05402	0.1
249.08170	0.0
249.11000	0.2
250.08524	0.0
251.05664	0.1
258.09070	0.2
259.09824	0.7
260.06998	1.7
260.10541	0.3
261.07666	0.3
261.11420	0.3
262.08560	7.4
263.06235	0.1
263.09210	1.0
264.06488	1.9
265.06989	0.1
272.06873	0.1
273.07782	0.0
274.08545	0.9
275.09326	0.8
276.10123	11.7
277.10641	1.2
278.08499	0.2
278.11575	0.2
280.09708	0.5
286.08432	0.1
287.09427	0.3
288.06488	0.5
288.10089	2.4
289.07312	0.2
289.10773	0.5
290.08032	33.7
291.08679	4.8
292.09479	0.5
292.13211	1.6
292.16550	0.0
293.13522	0.1
302.08057	1.2
303.08698	0.1
304.09598	33.9
305.10324	14.8
306.07474	1.1
306.10770	0.6
320.12720	100.0
321.13040	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	319.2627
Annotation	17beta-Hydroxy-2alpha,17-dimethyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
53.00278	1.2
53.78813	1.1
55.05502	11.0
57.03428	2.5
57.06787	1.5
57.07068	41.9
67.05494	28.1
69.07057	19.0
71.04972	3.5
71.08618	52.6
71.48093	2.4
71.48441	1.6
72.08949	1.2
75.60073	1.0
79.05481	8.4
81.07041	49.4
83.04970	4.1
83.08599	4.4
85.02893	77.1
85.06499	2.3
85.10169	28.7
89.06029	2.8
91.05454	6.6
93.07033	11.2
95.04959	4.6
95.08593	50.3
95.78328	1.2
96.08934	1.4
97.06515	4.9
97.10156	3.7
99.08083	1.9
105.07018	15.2
107.04900	1.3
107.08595	8.8
109.06518	4.3
109.10143	25.1
111.08019	2.3
117.06947	1.3
119.08569	11.8
121.06514	1.9
121.10128	9.9
123.08035	2.7
123.11687	3.0
127.07551	1.5
131.08559	2.8
133.10110	4.0
135.11653	7.2
137.13248	5.8
140.55275	1.0
143.08496	1.7
145.10063	8.7
147.11656	13.1
149.09612	1.4
153.12701	2.1
155.14285	40.0
156.14621	1.6
157.10097	1.8
159.11658	1.5
161.13266	2.5
163.11198	1.3
165.12726	5.5
165.16444	1.1
171.11597	1.9
175.11160	2.0
175.14832	1.6
183.17409	4.1
185.13358	1.1
189.12730	1.4
193.15761	2.8
211.16887	32.7
212.17191	2.3
233.18858	2.2
237.18518	4.5
237.22186	1.4
249.18576	1.3
251.19926	2.0
254.77104	1.2
273.25879	5.5
283.24329	1.6
291.26822	7.6
294.70331	1.2
301.25226	36.2
302.25400	2.7
319.26263	100.0
320.26590	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	319.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93273	0.9
51.02342	1.0
53.00319	1.0
53.03923	1.1
55.01861	2.3
55.05499	8.0
57.03428	5.0
57.07063	32.8
58.97292	0.9
65.42180	1.1
67.05484	15.6
69.00877	1.1
69.03414	36.3
69.07053	11.3
70.06581	1.1
70.29890	2.2
70.30305	3.0
71.04979	1.7
71.08616	43.9
74.62534	0.9
76.26271	0.8
79.05478	11.6
81.07039	31.1
83.04979	1.6
83.08587	5.9
85.10167	21.1
86.92978	0.8
89.06009	1.4
91.05462	15.8
93.07027	28.3
95.04958	4.5
95.08591	30.0
97.06524	3.4
99.08050	1.7
103.05434	1.4
105.07009	32.4
106.07360	1.3
107.04902	2.5
107.08573	19.0
109.06499	7.5
109.10143	6.0
110.41804	1.0
115.05422	1.4
116.06207	2.1
117.06992	3.8
119.08559	22.3
121.06480	9.0
121.10111	23.9
123.08044	17.1
123.11677	1.8
129.06973	3.7
131.08540	20.5
132.08807	1.1
133.06459	2.6
133.10115	10.6
135.08034	4.4
135.11613	2.3
137.09578	3.1
137.13226	3.6
142.07747	2.1
143.08556	2.6
145.10109	4.4
146.07231	1.1
146.34808	1.0
147.07994	9.1
147.11639	20.0
149.09584	100.0
150.09892	3.2
155.14278	27.4
156.09331	1.5
157.10100	4.5
159.11661	2.9
160.08809	1.2
161.09616	6.0
161.13228	4.5
163.11104	1.8
165.12706	4.9
168.54901	1.0
171.11673	3.8
173.13200	1.5
175.11145	35.0
176.11475	1.7
177.12729	1.1
189.12723	6.0
199.14932	1.6
217.19464	1.6
223.20493	3.0
233.19022	1.6
233.22641	1.4
235.20512	37.7
236.20842	2.1
255.12595	5.6
259.24225	1.8
273.13672	6.2
273.22397	2.2
273.25714	12.6
278.14044	1.0
283.24225	6.2
301.25171	25.0
302.25504	2.3
319.22696	2.0
319.26398	24.8
319.30289	3.6
320.26480	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.4
54.25151	0.9
55.01845	1.1
55.05501	11.1
57.07066	13.7
59.04985	1.8
60.93783	0.9
65.03955	1.0
67.05489	10.9
69.03421	5.0
69.07057	11.3
71.04969	2.4
71.08620	14.7
71.78880	1.3
79.05470	3.5
81.07038	20.9
83.04960	4.4
83.08593	6.9
85.02882	1.3
85.06532	2.2
85.10178	8.3
89.06015	3.8
91.05463	8.5
93.07021	9.9
95.08586	28.6
97.06493	1.1
97.10143	4.6
105.04526	1.1
105.07018	7.5
107.04956	1.7
107.08576	4.7
109.02894	0.9
109.06474	3.5
109.10143	8.9
111.08047	1.3
119.08556	8.2
121.06499	3.6
121.10118	4.5
123.08056	3.2
127.07530	1.3
128.71022	1.1
131.08528	6.1
133.08562	1.4
133.10133	5.6
135.07938	1.3
135.11697	1.9
137.09590	3.2
137.13251	2.0
147.07996	1.5
147.11629	5.0
149.09593	100.0
150.09895	4.5
151.07513	1.1
151.14801	2.8
155.14296	7.3
157.10129	1.0
161.09552	1.4
165.12724	2.2
169.15863	1.5
175.11179	2.1
175.14748	9.1
193.15831	3.2
199.32195	1.0
211.16898	5.5
228.91525	1.1
246.51674	0.9
255.12666	2.3
257.26508	1.2
261.21967	0.9
263.19891	2.5
273.13696	3.4
301.25262	6.5
301.58801	1.0
319.26407	24.3
319.30194	4.5
320.26395	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	319.1745
Annotation	Kankanoside D
Peak:m/z	Relative Intensity
52.91185	1.3
54.77058	1.2
54.99761	1.1
55.01870	2.1
55.05493	4.3
57.03425	55.1
57.07059	3.5
59.04988	1.4
60.04519	1.8
61.02903	5.2
66.15082	1.1
67.05486	4.1
69.03416	12.0
69.07056	10.2
70.06577	1.4
71.04967	7.2
71.27133	3.1
72.08139	4.9
73.02899	2.1
73.06517	2.8
79.05463	3.1
81.03410	6.3
81.07030	5.1
83.04949	6.2
85.02891	38.8
85.06528	37.5
86.09704	2.5
89.03884	2.4
91.03941	1.4
91.05435	2.2
93.07026	9.4
95.04937	9.7
95.08582	7.2
97.02884	15.2
97.06504	12.5
97.10144	4.0
99.04422	3.4
99.08051	2.6
105.06958	1.4
109.02846	4.0
109.06516	6.3
111.04419	2.6
111.11707	9.1
115.03869	1.2
117.03381	3.3
117.39354	1.1
120.08070	1.7
121.02886	1.7
121.10125	34.9
123.04419	2.7
127.03915	7.7
135.04395	5.9
136.07533	2.2
139.03860	3.6
139.11153	80.0
139.82300	1.2
140.07079	7.6
145.02844	3.1
145.04921	7.0
151.07492	1.2
152.07028	3.1
157.07530	3.2
157.08659	3.1
157.12213	100.0
163.03873	25.3
163.05971	1.5
164.04218	1.7
164.07021	2.3
181.12241	8.5
182.08057	11.0
193.12239	1.8
203.08192	1.7
206.08131	6.5
206.09827	1.3
273.12521	1.6
290.50037	1.4
301.11771	5.2
301.15640	5.1
302.12283	1.5
319.07880	2.8
319.15997	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1647
Annotation	Phomamide
Peak:m/z	Relative Intensity
53.03982	0.7
55.01916	0.6
55.05561	1.5
57.03506	6.7
57.07122	0.6
63.69777	0.5
67.05572	1.5
68.05096	0.5
68.39114	0.5
69.03511	2.1
69.06796	0.7
69.07139	2.1
70.06647	1.3
70.53249	1.2
70.53648	1.1
71.05038	1.3
72.08196	1.3
79.05537	1.2
81.03463	1.0
81.07140	3.3
82.06618	0.6
83.05065	3.3
84.08183	0.8
85.02988	4.6
85.06638	2.8
86.09767	1.0
89.03989	0.6
93.07088	1.2
95.05051	2.4
95.08652	0.8
97.02983	1.7
97.06588	1.3
97.10254	0.6
98.20721	0.5
99.08157	1.0
105.07095	0.8
109.02946	1.1
111.04527	1.8
111.11768	0.8
116.03603	0.6
117.03452	1.1
118.06615	1.2
119.08673	0.7
121.02984	0.5
121.10141	2.7
127.03986	1.1
128.07121	0.8
130.05585	0.8
130.06508	22.6
130.08711	1.8
132.04556	1.1
132.08156	0.9
135.04518	1.7
139.03981	2.2
139.11154	7.4
142.08673	1.1
144.08145	1.3
145.02907	1.5
146.06020	3.1
156.06801	6.2
157.07585	46.5
157.12206	7.3
158.06047	3.4
158.07991	0.6
159.09198	1.0
160.07657	2.3
160.11656	0.5
163.03879	9.8
168.08099	1.3
169.07564	3.0
170.06107	0.7
176.07281	0.6
182.08372	0.7
183.09120	0.5
184.07761	0.7
185.07019	3.1
185.10645	3.5
186.09258	0.7
188.07092	1.1
197.10881	1.3
202.07454	1.7
203.08119	44.0
204.08521	0.7
211.12250	2.6
215.08119	0.6
229.13379	1.9
231.07489	0.7
239.11717	0.7
257.12817	22.5
273.12335	0.7
275.13809	2.4
278.17834	0.7
301.15402	100.0
302.12601	0.8
302.15579	3.7
319.04346	0.7
319.07748	1.2
319.12936	1.6
319.16425	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	319.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94472	6.1
57.04237	6.0
64.15779	5.8
69.49905	7.0
70.72981	10.9
70.73329	18.0
73.14061	7.1
94.92929	8.3
199.73476	6.4
245.06277	7.7
319.07220	100.0
319.10641	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60434	6.1
60.07652	5.3
62.39391	5.9
64.15082	5.3
70.99061	17.7
83.42378	5.3
94.93006	15.5
147.79776	5.0
245.06377	11.1
256.90079	15.9
318.90060	15.0
319.07831	100.0
319.10461	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	319.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13712	5.7
51.88422	4.9
56.06597	4.5
69.03400	5.2
71.78668	8.4
81.07033	5.0
84.08125	7.3
94.92999	49.4
109.91700	6.2
110.07169	4.5
120.21452	5.1
138.05582	4.9
150.91922	7.6
155.30965	5.0
157.04726	7.3
212.07915	6.1
213.44835	4.3
228.90573	5.7
230.92308	7.5
245.06409	9.1
256.90161	40.3
318.90091	59.0
319.04422	100.0
319.10208	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
54.91949	0.2
55.01854	0.3
57.03431	1.1
58.27578	0.2
59.05002	0.2
61.02913	1.4
67.05495	0.4
69.03417	3.0
69.07053	0.9
70.06575	0.3
71.31470	0.6
73.02906	1.0
81.03397	1.0
81.07052	0.4
82.06554	0.6
83.04936	0.4
85.02888	5.8
87.04442	0.8
91.03932	0.7
91.05460	0.3
93.07035	1.2
95.07322	0.3
95.08609	1.4
96.04482	2.6
96.08109	2.4
97.02876	2.6
97.05253	1.4
97.06515	1.0
98.06052	0.2
99.04479	0.3
100.07610	1.3
108.08149	0.5
109.02856	0.9
109.06480	0.4
110.06020	5.7
110.09673	3.5
111.08063	0.8
120.08072	0.7
121.06468	0.9
123.06815	0.2
125.08359	0.8
126.09137	7.4
127.03893	1.3
138.09122	18.6
139.07561	1.1
139.09505	0.4
145.04942	1.3
152.10706	0.3
156.10178	100.0
157.10522	2.1
163.03883	0.3
168.10147	0.9
175.07803	0.2
180.10167	0.7
198.11201	0.9
222.11203	0.6
318.15482	3.0
330.06067	0.2
334.51889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2422
Annotation	17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one
Peak:m/z	Relative Intensity
51.02359	0.4
53.03942	1.8
55.01858	0.5
56.05021	0.9
57.07062	0.5
62.41117	0.3
67.05491	0.4
70.89851	0.7
70.90213	0.4
71.08607	0.9
77.03919	0.6
81.07036	0.6
82.06565	2.8
85.10175	0.5
91.05463	9.7
93.07027	18.8
95.04954	4.0
95.08581	1.1
103.05450	11.0
105.04469	0.6
107.04941	1.2
107.86538	0.3
111.66097	0.3
120.23471	0.3
121.06484	100.0
122.06808	2.0
164.10663	0.6
185.95900	0.3
198.18497	17.3
199.18921	0.5
200.85222	0.3
216.44038	0.3
318.24219	72.2
319.24564	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	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01859	3.1
57.03415	3.7
59.90254	1.0
61.02701	1.0
61.02927	10.0
69.03421	16.1
70.06573	4.4
71.04962	2.3
71.23858	2.3
71.24200	1.6
73.02895	3.0
81.03397	8.5
85.02895	100.0
86.03221	1.3
87.04449	3.3
91.03936	7.0
91.05474	2.7
93.07029	4.5
97.02881	23.4
99.04424	3.7
103.03944	1.6
103.05424	2.5
103.52235	1.2
109.02857	9.4
110.62454	1.1
121.06490	83.6
122.06805	1.8
127.03899	20.7
127.04813	1.3
136.54811	1.2
139.03885	1.4
141.06998	1.2
145.04950	41.1
145.06424	3.1
156.10347	1.6
159.08055	4.1
163.05968	9.7
169.06448	1.1
175.07535	3.1
179.07043	2.3
180.08609	4.0
187.07513	18.4
205.08545	12.3
209.83192	1.2
217.08636	1.5
229.08502	5.7
235.09631	1.6
247.09592	5.6
265.10721	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	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01852	3.4
57.03437	6.4
61.02914	12.7
61.57551	1.2
69.03423	18.9
70.06580	22.8
70.28117	5.8
71.04965	1.8
73.02901	4.4
75.59529	1.2
81.03411	6.9
84.04443	1.5
84.91586	1.2
85.02893	100.0
86.03226	1.3
87.04472	2.2
91.03945	6.6
91.05482	3.0
93.07018	4.0
95.04944	1.4
97.02876	24.2
98.20799	1.6
99.04443	4.9
103.05449	1.7
109.02872	8.3
121.02851	53.1
121.06491	72.9
122.03165	2.7
127.03896	22.9
130.06491	1.7
131.08546	1.4
139.03882	73.8
140.04239	2.2
145.04935	38.7
145.06522	2.7
150.33511	1.2
156.10161	2.2
159.07999	2.0
163.06020	6.5
175.08698	2.6
179.07043	2.9
180.08661	2.7
187.07518	15.5
205.08537	10.9
221.09267	3.5
229.08553	4.0
235.09669	1.3
247.09673	5.6
252.01778	1.2
265.10690	3.8
288.16129	1.1
318.14462	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	318.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.01873	2.6
57.03428	5.5
61.02904	9.9
65.03910	1.3
69.03423	19.1
70.06194	2.7
70.06582	40.4
71.04973	2.4
73.02903	4.5
81.03402	7.9
84.04481	1.5
85.02894	95.5
87.04451	3.8
91.03932	6.2
93.07036	3.6
95.04957	1.6
97.02878	23.0
97.03452	2.1
98.21555	2.4
99.04433	6.4
102.48877	1.2
103.05472	2.9
109.02871	6.6
111.04398	1.3
115.08691	2.1
120.08110	1.6
121.02852	71.6
121.06489	71.4
127.03898	21.4
130.06499	2.5
138.05534	1.7
138.09090	1.3
139.03883	100.0
141.06937	1.6
145.04938	34.6
145.06511	1.6
151.07600	1.7
156.10188	3.6
157.07632	1.9
158.05978	1.9
159.08067	4.1
163.03937	1.5
163.06020	8.8
169.06332	1.3
175.08699	5.5
180.08720	2.9
187.07532	13.0
203.08296	2.9
205.08566	10.8
221.09209	9.0
229.08691	3.1
229.53078	1.7
247.09651	5.1
256.14655	1.5
265.10690	3.0
318.14490	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	318.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01839	1.7
57.03418	6.0
61.02921	11.6
69.03413	18.5
69.89394	1.7
71.04964	1.8
71.05624	3.7
71.05977	2.7
73.02891	4.6
81.03413	7.8
85.02891	100.0
86.03220	1.8
86.09705	3.1
87.04447	2.8
91.03941	7.2
91.05485	2.8
93.07038	2.3
97.02879	28.3
99.04449	5.0
103.03911	1.9
105.07012	1.5
109.02869	6.8
110.55926	1.8
121.02823	3.4
121.06489	75.6
122.06845	1.6
127.03909	22.5
138.09125	3.2
139.03886	9.1
145.04935	39.2
146.05255	2.3
156.10149	9.2
159.07947	2.2
163.06058	7.8
163.38864	1.7
180.08661	21.3
187.07504	12.6
201.12248	3.3
205.08569	10.9
217.08739	1.6
229.08617	5.1
247.09645	4.1
265.10742	3.6
318.15350	4.4
319.13571	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67769	1.0
55.01852	2.3
55.05507	13.4
56.05011	5.1
57.03430	1.5
57.07066	9.1
59.04981	5.1
60.04516	100.0
61.04206	2.3
61.04850	11.9
67.05495	44.2
68.05804	3.4
69.03416	2.5
69.07074	8.6
70.06587	6.2
70.07375	2.7
71.04973	3.2
71.08607	4.0
71.79084	1.5
72.04496	2.2
74.06050	2.0
79.05478	9.0
80.05829	1.4
81.03330	1.1
81.06586	1.9
81.07039	22.1
82.07375	3.4
83.04960	2.5
83.08595	4.0
85.02876	3.2
85.06503	1.7
87.04466	1.3
88.07629	6.1
90.05573	1.5
91.05468	11.3
93.07027	15.8
94.07325	2.5
95.04960	20.5
95.08588	22.0
96.05318	1.1
96.08921	2.8
97.06509	4.4
97.10147	1.4
100.52891	1.1
102.09159	5.4
105.07014	8.4
107.04945	1.5
107.08573	29.3
109.06499	10.2
109.10140	71.5
110.10452	3.2
113.05965	2.4
115.65794	1.1
117.06989	4.0
119.08559	40.8
120.08921	2.7
121.06480	3.6
121.10138	6.5
122.10500	1.3
123.08041	15.8
123.11665	2.3
129.06958	1.4
131.08517	5.0
133.06445	2.3
133.10089	5.8
135.08054	7.2
135.11661	3.4
137.05960	1.8
137.09601	59.4
138.09901	1.7
139.07521	1.4
143.08514	2.2
145.06401	1.2
145.10104	4.3
147.08011	3.1
147.11662	3.2
149.09531	4.6
151.07509	37.3
152.07828	1.5
153.05432	4.7
156.09294	2.9
157.10104	2.3
159.08031	2.3
159.11671	3.4
161.09596	6.3
161.13161	1.5
163.11128	2.0
165.09120	3.3
167.07050	1.3
169.10098	1.3
171.11647	3.0
173.09650	1.5
173.13182	2.6
175.11105	1.8
177.09070	3.9
181.08586	3.9
181.12236	2.2
183.11667	2.5
189.12720	13.6
191.10698	1.4
197.13570	1.6
197.15337	5.7
199.11208	2.5
199.14638	1.2
201.12685	1.7
203.14243	1.5
207.13744	13.7
215.14212	2.1
219.13811	1.4
221.15405	1.9
233.15401	1.2
236.50841	1.2
237.14821	5.3
239.16209	1.4
243.13763	5.4
256.26282	14.8
261.14764	3.0
263.25632	1.3
271.28113	1.1
281.19058	2.4
281.26645	14.0
299.20285	8.1
299.27698	17.5
300.28909	1.6
317.06512	2.3
317.21054	75.4
317.28757	66.2
318.21494	6.6
318.29947	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2107
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
52.67769	1.0
55.01852	2.3
55.05507	13.4
56.05011	5.1
57.03430	1.5
57.07066	9.1
59.04981	5.1
60.04516	100.0
61.04206	2.3
61.04850	11.9
67.05495	44.2
68.05804	3.4
69.03416	2.5
69.07074	8.6
70.06587	6.2
70.07375	2.7
71.04973	3.2
71.08607	4.0
71.79084	1.5
72.04496	2.2
74.06050	2.0
79.05478	9.0
80.05829	1.4
81.03330	1.1
81.06586	1.9
81.07039	22.1
82.07375	3.4
83.04960	2.5
83.08595	4.0
85.02876	3.2
85.06503	1.7
87.04466	1.3
88.07629	6.1
90.05573	1.5
91.05468	11.3
93.07027	15.8
94.07325	2.5
95.04960	20.5
95.08588	22.0
96.05318	1.1
96.08921	2.8
97.06509	4.4
97.10147	1.4
100.52891	1.1
102.09159	5.4
105.07014	8.4
107.04945	1.5
107.08573	29.3
109.06499	10.2
109.10140	71.5
110.10452	3.2
113.05965	2.4
115.65794	1.1
117.06989	4.0
119.08559	40.8
120.08921	2.7
121.06480	3.6
121.10138	6.5
122.10500	1.3
123.08041	15.8
123.11665	2.3
129.06958	1.4
131.08517	5.0
133.06445	2.3
133.10089	5.8
135.08054	7.2
135.11661	3.4
137.05960	1.8
137.09601	59.4
138.09901	1.7
139.07521	1.4
143.08514	2.2
145.06401	1.2
145.10104	4.3
147.08011	3.1
147.11662	3.2
149.09531	4.6
151.07509	37.3
152.07828	1.5
153.05432	4.7
156.09294	2.9
157.10104	2.3
159.08031	2.3
159.11671	3.4
161.09596	6.3
161.13161	1.5
163.11128	2.0
165.09120	3.3
167.07050	1.3
169.10098	1.3
171.11647	3.0
173.09650	1.5
173.13182	2.6
175.11105	1.8
177.09070	3.9
181.08586	3.9
181.12236	2.2
183.11667	2.5
189.12720	13.6
191.10698	1.4
197.13570	1.6
197.15337	5.7
199.11208	2.5
199.14638	1.2
201.12685	1.7
203.14243	1.5
207.13744	13.7
215.14212	2.1
219.13811	1.4
221.15405	1.9
233.15401	1.2
236.50841	1.2
237.14821	5.3
239.16209	1.4
243.13763	5.4
256.26282	14.8
261.14764	3.0
263.25632	1.3
271.28113	1.1
281.19058	2.4
281.26645	14.0
299.20285	8.1
299.27698	17.5
300.28909	1.6
317.06512	2.3
317.21054	75.4
317.28757	66.2
318.21494	6.6
318.29947	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76989	7.7
70.44327	29.2
72.08133	10.2
72.86432	7.4
78.98409	6.9
84.08118	9.6
90.54340	6.6
94.92986	49.9
98.21380	7.2
103.42699	6.6
112.89609	13.3
138.05418	12.5
138.17578	7.2
138.39760	6.7
166.93338	9.8
174.83464	7.8
188.89595	33.1
204.86945	32.4
216.31880	7.6
247.01688	7.5
262.86053	16.4
317.06268	100.0
317.09589	8.8
317.21054	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	317.2107
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03912	1.4
55.01854	1.4
55.05308	1.1
55.05507	12.4
57.07059	5.6
57.30763	1.2
60.04509	1.5
65.03905	1.6
67.05492	25.7
68.05808	1.9
69.03401	1.8
69.07047	11.9
69.76661	6.7
69.77081	3.6
69.95647	1.4
70.06566	1.8
71.04968	4.1
71.08601	2.3
79.05478	13.1
81.07045	28.7
83.04961	3.5
83.08610	7.3
85.06528	7.5
88.07620	2.4
91.05456	14.8
92.05779	1.5
93.03365	1.6
93.07031	30.3
95.04939	5.2
95.08587	47.2
97.02869	4.3
97.06503	9.4
97.10143	5.2
105.07014	30.4
106.07368	1.6
107.04912	3.1
107.08572	42.0
109.06518	8.4
109.09393	2.2
109.10137	40.8
111.04427	21.2
111.08076	7.9
117.06992	6.4
119.08559	46.9
119.60281	1.7
121.06483	6.9
121.10121	24.1
123.08067	8.1
123.11694	10.6
125.05960	3.2
129.06993	5.2
131.08531	12.2
133.06477	2.5
133.09142	2.5
133.10110	33.7
135.08044	11.5
135.11646	14.4
137.05983	3.3
137.09586	23.4
137.13177	2.6
139.07507	2.9
141.06943	1.9
142.07793	2.8
143.08530	8.4
145.10077	17.7
147.08003	5.1
147.11659	16.6
149.09540	3.9
149.13229	5.7
151.07484	2.0
151.11143	17.1
153.09053	1.7
155.08524	3.3
157.10103	11.0
158.07220	1.5
159.06834	1.6
159.08058	6.4
159.11670	20.3
161.09625	5.4
161.13239	11.5
163.07497	1.8
163.11124	5.1
163.14801	24.2
165.09085	1.9
165.12727	2.6
169.10139	6.3
171.11658	8.8
173.09590	6.4
173.13242	12.6
175.11186	3.9
175.14792	4.5
177.12759	3.0
177.16246	1.5
179.10634	2.2
181.12247	2.1
183.11589	8.2
185.13246	6.9
187.11122	9.9
187.14830	7.8
189.09091	1.6
189.16356	6.0
191.10614	3.7
191.14278	1.9
193.12228	3.4
195.11664	2.8
197.13223	6.0
199.11089	1.7
199.14793	3.7
201.12741	5.0
201.16368	6.1
203.10617	2.2
203.14223	1.8
205.12155	7.3
205.15834	4.9
207.17462	2.5
211.11093	2.5
211.14841	4.7
213.12686	2.3
213.16347	5.9
215.10698	2.8
215.14331	3.0
215.17888	3.7
217.12206	3.1
219.13675	2.7
223.15002	1.7
227.14291	2.1
227.17854	2.7
229.12154	7.8
229.15836	1.9
229.19524	4.3
237.16310	3.5
239.14200	2.0
239.18004	6.6
240.19511	2.7
241.15955	1.7
243.13771	3.9
245.15401	3.1
253.19482	5.5
255.17450	2.9
255.20958	2.7
256.26315	1.9
257.18945	10.3
263.18442	1.5
271.20612	7.3
273.18414	2.1
275.20010	16.2
276.20602	1.8
281.18994	6.8
289.21539	2.0
299.20016	45.3
299.23099	1.9
300.20313	3.0
317.06534	3.9
317.21075	100.0
317.24564	7.7
317.28946	3.1
317.32211	7.7
318.21213	12.3
318.24411	2.5
318.29987	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81414	0.5
71.79852	0.6
71.80296	0.9
78.95604	2.5
94.92999	33.9
96.92814	1.0
109.91689	1.4
136.94008	5.9
145.16547	0.5
152.91986	3.4
166.93282	2.9
176.87518	2.5
188.89604	21.0
188.90904	0.9
190.93297	1.0
196.87781	1.2
204.87000	16.2
208.88631	24.2
209.88727	2.1
212.85278	0.9
214.84958	1.0
234.86610	3.8
236.88048	1.0
244.86246	2.1
256.86047	1.4
256.88602	1.0
262.86047	100.0
263.86172	9.5
273.63504	0.6
290.85529	3.4
298.97427	4.4
316.83453	9.2
316.98578	2.7
317.11398	1.1
317.83658	0.7
326.89890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.065
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
53.03936	0.1
53.53308	0.0
55.01859	0.2
65.03928	0.4
67.01843	0.3
67.05472	0.2
68.99770	0.1
69.03410	0.3
69.07072	0.1
69.41456	0.1
69.54399	0.6
73.41631	0.1
79.05480	0.2
80.02618	0.1
81.03387	0.3
81.07030	0.4
85.02902	0.1
85.46381	0.1
91.05438	0.1
93.03381	0.5
93.07030	0.1
95.04948	1.1
95.08570	0.3
96.05307	0.1
99.04381	0.1
103.05411	0.1
105.03376	0.1
105.06979	0.2
107.04958	0.2
107.08556	0.1
109.02820	0.5
109.10126	0.1
110.03660	0.1
110.72118	0.1
111.04452	0.3
115.05389	0.1
119.04930	0.1
119.08500	0.1
121.02847	1.5
123.00803	0.3
123.04401	3.9
124.01554	1.2
124.04852	0.1
125.02338	1.0
127.03878	0.2
128.06187	0.2
129.06938	0.1
131.04840	0.1
131.08563	0.1
133.02794	0.1
134.03583	0.3
135.04419	0.3
135.07982	0.1
135.11658	0.1
137.02316	4.9
137.03409	0.3
137.13196	0.2
138.02658	0.1
139.03891	0.2
140.04681	0.1
141.05446	0.5
144.05702	0.2
145.02782	0.3
145.06442	0.1
147.11719	0.1
149.02327	0.6
150.03052	0.4
151.03873	1.4
155.03680	0.1
155.04868	0.5
159.08008	0.3
161.05956	0.1
161.09660	0.1
163.03886	1.1
167.03366	6.8
168.03708	0.3
169.06427	0.2
172.05147	0.2
173.05959	0.1
177.01901	0.1
177.05342	0.1
177.09099	0.1
179.03354	2.4
180.04184	0.4
181.04799	0.1
182.03569	0.1
183.04404	0.4
184.05124	0.4
185.04430	0.1
185.05870	0.1
187.03876	0.2
187.07510	0.6
191.03333	0.2
191.07011	0.1
193.04922	0.2
195.02898	0.1
197.04390	1.1
197.05966	0.1
200.04642	1.0
201.05403	0.2
205.04961	0.1
205.08600	0.2
207.02893	0.2
208.03635	0.1
209.04395	0.4
211.03880	0.2
212.04547	0.1
213.05373	0.1
215.04915	0.1
215.06984	2.7
216.07364	0.2
217.04990	0.1
219.02826	0.2
219.06491	0.2
221.04372	0.2
225.05417	0.1
227.03459	0.1
227.07001	0.2
228.04123	1.4
229.04880	0.3
231.06476	0.1
233.08005	0.4
235.05988	0.1
242.05809	0.4
243.06482	5.8
244.06883	0.4
245.04477	0.2
246.05138	0.2
253.04939	0.2
256.03659	0.7
257.04398	0.8
258.04727	0.1
259.05978	0.1
260.06561	0.1
261.07559	1.0
271.05960	3.1
272.06326	0.3
273.03833	0.8
274.04666	6.4
275.04959	0.5
284.03156	0.2
288.06180	1.0
289.06833	0.3
299.05417	1.1
300.05948	0.2
302.04169	3.6
303.04465	0.2
317.06485	100.0
318.06833	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	317.065
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
65.03926	0.7
67.01853	0.2
68.99765	0.4
69.07005	0.1
70.27468	0.5
79.05479	0.1
82.74145	0.1
91.05414	0.1
92.02605	2.8
93.02838	0.2
93.03390	2.6
95.01296	0.1
95.04922	0.1
98.20806	0.1
107.04913	0.3
107.08520	0.1
109.02866	0.3
111.00789	0.3
112.01029	0.1
121.02848	1.7
122.03705	0.1
126.03101	1.1
131.04839	0.2
133.02797	0.3
137.02287	0.5
137.05960	0.2
139.03877	1.5
145.02759	0.2
145.06422	0.2
149.02333	0.2
149.05930	0.1
150.03061	0.1
151.03912	1.2
151.05067	0.2
151.07547	0.1
152.00943	0.1
153.01801	16.1
154.02122	0.5
155.04890	0.3
161.06018	0.1
163.03909	0.4
165.01816	1.2
166.02597	0.4
167.03328	0.2
170.02083	0.2
172.05046	0.1
173.05994	0.3
175.07413	0.1
176.34384	0.1
177.01854	0.1
177.05467	0.6
179.03314	0.2
183.02864	0.3
183.04338	0.2
187.03969	0.2
189.05414	0.1
190.06206	0.1
191.03445	0.1
192.04190	0.1
194.02103	0.1
200.04668	0.6
201.05437	1.4
203.03348	1.2
204.04115	0.2
211.03906	0.2
217.04926	2.3
218.05699	1.3
219.02797	0.5
219.06413	0.1
228.04131	3.3
229.04913	6.7
230.05397	0.4
231.02888	0.9
232.03526	0.2
233.04477	0.2
239.03271	0.2
243.06485	0.3
245.04427	3.2
246.05186	2.9
247.02193	0.1
247.05515	0.2
256.03644	0.4
257.04410	4.6
258.04941	0.3
260.03152	0.7
261.07547	0.4
271.06030	0.4
273.03879	3.0
274.04672	6.1
275.04919	0.5
284.03128	0.8
285.03885	7.6
286.04422	0.5
287.01956	0.2
288.06262	0.3
301.03439	0.3
302.04163	20.1
303.04489	1.4
317.06500	100.0
318.06848	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.065
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33538	0.1
65.03933	0.6
68.99768	0.5
70.06570	0.1
78.01587	0.1
92.02600	2.4
93.02836	0.2
93.03391	2.4
94.04214	0.2
95.04942	0.2
102.55367	0.1
105.59581	0.1
107.04930	2.3
109.02833	0.2
110.84981	0.1
111.00787	0.4
121.02839	1.8
122.03671	0.2
123.04428	0.2
126.03090	1.0
131.04880	0.1
133.02797	0.1
135.04370	0.1
137.02339	0.6
137.05923	0.2
139.03883	1.4
145.06464	0.2
149.02344	0.2
149.05960	0.1
150.03116	0.2
151.03891	1.4
152.00987	0.1
153.01799	14.3
154.02197	0.4
155.04922	0.2
159.64284	0.1
161.05923	0.1
163.03941	0.3
164.04698	0.1
165.01799	1.2
165.05527	0.2
166.02689	0.2
173.05931	0.5
176.04684	0.1
177.05453	0.4
179.03351	0.2
183.02864	0.4
183.04347	0.2
187.03922	0.3
190.06105	0.1
192.04082	0.1
193.05072	0.2
200.04660	0.5
201.05420	1.6
203.03357	1.4
204.04184	0.2
205.04901	0.1
211.05975	0.4
217.04907	2.4
218.05705	1.0
219.02866	0.5
219.05949	0.1
228.04132	3.1
229.04915	6.3
230.05345	0.4
231.02826	0.8
232.03661	0.2
233.04387	0.2
239.03447	0.2
243.02695	0.1
243.06523	0.2
245.04407	2.9
246.05203	3.4
256.03622	0.4
257.04395	3.8
258.04889	0.3
260.03055	0.7
261.07523	0.5
267.02921	0.2
271.05984	0.3
273.03894	2.9
274.04663	6.2
275.05142	0.4
284.03146	0.8
285.03891	7.2
286.04303	0.6
287.01764	0.2
288.06223	0.3
289.06360	0.2
301.03421	0.4
302.04156	19.9
303.04547	1.3
317.06494	100.0
318.06830	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.065
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
64.33538	0.1
65.03933	0.6
68.99768	0.5
70.06570	0.1
78.01587	0.1
92.02600	2.4
93.02836	0.2
93.03391	2.4
94.04214	0.2
95.04942	0.2
102.55367	0.1
105.59581	0.1
107.04930	2.3
109.02833	0.2
110.84981	0.1
111.00787	0.4
121.02839	1.8
122.03671	0.2
123.04428	0.2
126.03090	1.0
131.04880	0.1
133.02797	0.1
135.04370	0.1
137.02339	0.6
137.05923	0.2
139.03883	1.4
145.06464	0.2
149.02344	0.2
149.05960	0.1
150.03116	0.2
151.03891	1.4
152.00987	0.1
153.01799	14.3
154.02197	0.4
155.04922	0.2
159.64284	0.1
161.05923	0.1
163.03941	0.3
164.04698	0.1
165.01799	1.2
165.05527	0.2
166.02689	0.2
173.05931	0.5
176.04684	0.1
177.05453	0.4
179.03351	0.2
183.02864	0.4
183.04347	0.2
187.03922	0.3
190.06105	0.1
192.04082	0.1
193.05072	0.2
200.04660	0.5
201.05420	1.6
203.03357	1.4
204.04184	0.2
205.04901	0.1
211.05975	0.4
217.04907	2.4
218.05705	1.0
219.02866	0.5
219.05949	0.1
228.04132	3.1
229.04915	6.3
230.05345	0.4
231.02826	0.8
232.03661	0.2
233.04387	0.2
239.03447	0.2
243.02695	0.1
243.06523	0.2
245.04407	2.9
246.05203	3.4
256.03622	0.4
257.04395	3.8
258.04889	0.3
260.03055	0.7
261.07523	0.5
267.02921	0.2
271.05984	0.3
273.03894	2.9
274.04663	6.2
275.05142	0.4
284.03146	0.8
285.03891	7.2
286.04303	0.6
287.01764	0.2
288.06223	0.3
289.06360	0.2
301.03421	0.4
302.04156	19.9
303.04547	1.3
317.06494	100.0
318.06830	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
53.91353	1.9
55.05476	2.0
56.05022	2.1
57.03420	4.6
59.12940	2.0
60.04530	2.7
61.02914	14.6
67.05484	2.4
69.03418	13.2
69.07033	3.0
70.06580	7.8
70.19316	2.0
70.82561	6.2
71.04983	3.6
72.08142	11.8
73.02897	7.3
79.05492	2.4
79.50064	2.0
81.03409	7.0
81.03870	1.8
83.04977	4.8
84.04497	6.7
84.08131	14.4
85.02895	34.5
86.03246	3.9
86.09692	28.0
87.04448	2.8
91.05458	6.9
92.05807	4.4
93.07014	2.6
95.04943	3.3
97.02879	14.2
98.03169	2.6
99.04456	3.2
101.00873	2.7
102.05505	3.5
107.04933	5.1
107.08546	2.9
107.65578	1.8
109.02853	4.8
109.10141	2.3
110.06024	5.8
111.04433	5.8
116.07043	2.8
116.98564	3.1
119.01896	16.7
119.04945	4.0
120.05243	5.0
121.02851	3.3
121.06484	25.8
127.03860	9.5
129.10228	8.8
130.04968	2.8
130.08615	3.5
131.01897	7.0
133.03467	3.1
133.06122	6.2
135.04337	3.8
136.06151	3.0
136.07556	5.2
137.02998	2.7
137.05977	30.7
137.07918	4.3
138.05481	100.0
138.06342	30.1
138.09143	7.7
139.03920	2.3
143.01910	4.3
145.03461	6.0
145.04945	7.1
149.02972	4.9
154.04968	3.6
154.06088	4.3
154.08597	10.0
154.94098	3.1
155.01891	5.5
155.04443	3.1
155.08983	11.1
156.02869	2.7
156.06523	56.5
157.03436	2.7
157.13354	6.4
161.02879	15.3
163.03789	12.4
164.07047	3.6
169.03464	2.6
172.95232	6.7
173.02905	12.3
174.03169	2.6
177.02316	2.0
179.01918	2.2
185.02922	3.7
185.12851	2.9
187.00934	2.8
189.06006	2.3
190.96288	3.4
196.03862	3.6
203.03894	3.7
203.98424	2.1
205.04512	5.6
212.05156	5.4
213.78319	1.9
214.05101	3.1
214.96278	4.0
215.00342	4.6
215.03813	2.7
219.03445	2.7
221.03142	2.9
227.07474	3.2
227.57365	2.3
232.97189	2.1
245.04994	2.8
255.21149	4.7
257.01361	3.5
257.04926	5.5
275.06082	7.3
317.02936	3.5
317.06223	46.4
317.14719	9.6
317.21750	8.2
318.06512	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	316.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01859	0.6
55.05502	4.6
56.05024	3.8
57.03419	0.7
57.07065	2.2
58.02954	0.5
58.06601	0.2
59.04970	0.2
60.04512	100.0
60.39842	0.2
61.04850	0.5
65.03931	0.5
66.89619	0.2
67.05492	9.6
68.05012	0.6
69.03407	0.3
69.07054	5.4
69.07413	0.3
69.87144	1.1
70.02959	0.2
70.06573	1.0
71.04970	0.3
71.08629	1.0
72.04505	2.4
73.02891	0.3
74.06062	2.3
79.05476	4.0
80.05001	1.0
81.03389	0.2
81.07041	8.4
82.06563	1.3
82.07338	0.3
83.04966	0.6
83.08600	3.6
84.04485	0.2
84.08138	0.2
85.02886	0.3
85.06533	0.3
85.10184	0.4
86.06040	1.1
87.04443	0.8
88.07582	0.2
90.05544	1.3
91.05463	2.6
93.06483	0.3
93.07027	3.8
94.06562	0.7
95.04939	1.5
95.07318	0.3
95.08587	7.5
96.08109	0.9
97.06484	0.7
97.10148	1.7
98.06040	0.3
100.07598	0.4
102.05526	0.2
105.07008	1.8
107.08574	3.3
108.08101	0.4
109.06502	0.6
109.10133	5.8
110.09688	0.2
111.08038	0.4
111.11705	0.4
112.07565	0.8
114.09177	0.2
116.07088	0.3
117.06999	0.3
119.08559	3.2
121.06505	0.2
121.10133	1.8
122.09678	0.3
123.08052	1.0
123.11686	1.1
124.89317	0.2
126.09151	0.2
131.08563	0.4
131.50996	0.2
133.10086	1.1
135.08064	0.3
135.11690	1.1
136.11212	0.2
137.09598	2.7
137.13237	0.3
139.07497	0.2
140.10663	0.2
143.08543	0.2
145.10159	0.2
147.07983	0.2
147.11687	0.4
149.09583	0.2
149.13240	0.3
151.07530	1.6
151.14819	0.2
153.05450	0.2
159.11586	0.2
161.13226	0.3
165.09140	0.2
169.15837	0.2
189.12737	0.6
196.20639	0.2
197.15408	0.3
207.13759	0.5
207.21060	0.2
208.25972	0.2
212.23772	0.3
219.21027	0.2
221.22569	0.2
233.22609	0.3
235.29897	0.2
237.14717	0.2
239.23590	0.2
243.13828	0.2
245.22693	0.4
250.25247	1.0
251.23538	0.3
252.26682	0.3
256.26370	0.3
261.14893	0.2
262.25217	1.7
263.23560	0.4
268.26321	0.8
280.26297	11.8
281.26587	0.6
298.27356	13.9
299.20087	0.4
299.27731	1.0
316.28400	55.4
317.21048	3.9
317.28711	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2629
Annotation	Grenadamide
Peak:m/z	Relative Intensity
50.93255	0.3
52.46820	0.3
53.03929	0.6
55.05489	0.3
56.05024	0.5
57.07068	2.2
60.04510	0.3
69.61732	0.8
69.62160	1.7
71.08616	1.0
77.03957	0.3
77.68481	0.2
78.12914	0.3
79.05479	5.5
81.07029	0.5
82.06573	0.5
84.04507	0.6
85.10172	0.9
91.05477	1.3
95.04948	1.4
95.08581	1.1
98.20708	0.6
103.05460	4.2
105.07012	100.0
106.07336	1.2
112.07587	0.4
131.08589	0.5
136.78012	0.3
146.09637	0.3
147.97485	0.3
148.11165	1.5
160.11139	0.3
181.14978	0.3
206.19038	1.1
212.20021	1.9
224.20068	1.3
261.00845	0.3
298.25250	1.0
316.26294	93.6
317.26648	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	316.284
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03967	0.5
55.05500	4.8
56.05024	4.3
57.03432	0.9
57.07058	1.6
60.04514	100.0
65.03941	0.5
67.05171	0.8
67.05495	8.7
69.07051	4.9
69.47697	4.4
69.48097	1.1
70.06573	1.0
71.04990	0.7
71.08604	1.2
72.04494	2.1
74.06064	2.2
79.05480	3.1
80.05003	0.7
80.63923	0.4
81.03409	0.4
81.07042	8.8
82.06566	1.7
83.08616	3.2
85.10168	0.5
86.06054	1.0
89.09878	0.4
90.05553	1.1
91.05457	2.5
93.07042	3.3
94.06556	0.9
95.04938	0.9
95.08585	7.9
97.06518	0.7
97.10146	1.6
98.20618	0.9
100.07613	0.7
101.16887	0.5
101.22739	0.4
105.07014	1.5
107.08594	1.8
109.06459	0.7
109.10139	4.1
111.11705	0.6
112.07636	0.5
119.08562	1.5
121.10123	1.7
123.11640	0.5
133.10150	1.0
134.72778	0.4
135.11668	0.5
137.09610	0.9
137.13249	0.8
147.11678	0.6
151.07553	0.7
250.25243	1.2
262.25226	1.7
268.26331	0.6
280.26349	12.1
281.26602	0.9
298.27365	14.2
299.27673	1.4
316.28415	59.1
317.21039	1.8
317.28683	4.8
318.02945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21312	0.3
53.03934	0.6
55.01854	0.6
55.05487	0.4
56.13432	0.3
57.03410	0.7
57.08049	0.3
58.06596	0.3
61.02906	1.1
67.05488	0.4
69.03410	3.3
69.07052	1.0
69.86443	0.8
69.86851	1.9
70.06571	2.2
70.59377	0.3
71.04981	0.5
72.08141	2.1
73.02891	0.7
73.94012	0.3
79.05462	1.0
79.45676	0.3
80.05026	0.3
81.03408	1.8
81.07043	3.0
82.06558	1.2
84.04493	0.3
85.02890	8.6
86.09691	11.4
87.04443	0.7
88.03970	0.5
91.03899	0.4
91.05460	3.5
93.05773	1.1
93.07027	1.8
94.06558	0.6
95.04947	0.7
95.08578	0.4
96.08118	3.2
97.02867	2.7
99.04424	0.8
105.07021	0.3
106.06522	0.4
108.08096	19.0
109.02869	1.3
109.06512	1.2
109.08444	0.9
110.06024	0.8
116.07043	1.5
119.04945	0.4
119.08466	0.5
120.08009	0.4
123.06754	1.6
124.07569	15.3
126.09096	0.4
127.03860	1.7
129.10204	0.5
135.04352	0.4
136.06050	0.6
136.07555	12.6
136.08603	0.7
137.05965	2.5
137.09596	0.5
138.09068	0.4
145.04933	0.9
149.06027	0.3
150.05542	0.4
153.05424	0.4
154.08597	100.0
155.03294	0.4
155.06952	0.6
155.08977	3.2
155.10623	1.0
156.10143	0.5
158.09473	0.3
163.03973	0.3
166.08583	1.6
171.39006	0.4
173.12866	0.4
178.08705	0.5
179.06859	0.3
195.06442	0.5
196.09682	1.1
199.14507	0.5
199.18074	2.6
201.12318	1.1
203.13914	0.7
227.17447	1.4
232.13737	0.3
246.11436	0.3
287.10208	1.0
298.14328	0.5
298.50616	0.3
299.10214	1.1
316.14029	3.3
316.18283	0.9
317.11981	3.7
317.15302	0.7
318.59851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0858
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
62.52058	0.1
71.18376	0.2
71.18737	0.3
146.08554	0.1
149.05933	0.2
162.81750	0.1
167.03357	1.0
201.05374	0.3
215.19156	0.1
217.05023	0.1
217.78990	0.1
227.06912	0.2
229.04932	0.4
243.06496	1.5
244.07205	0.1
257.04398	1.2
271.06012	0.7
272.06741	36.9
273.07080	2.4
283.06052	0.1
285.03906	0.3
298.11362	0.2
300.06219	52.1
301.06546	3.4
315.08551	100.0
316.08905	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	315.0858
Annotation	Ochrolic acid
Peak:m/z	Relative Intensity
50.07306	1.2
55.01853	2.8
55.05500	1.8
58.06578	5.1
65.03934	1.3
67.05481	2.2
67.50325	1.3
69.03409	2.5
69.07050	2.0
70.06576	7.0
71.33286	3.3
72.08155	1.9
79.05485	1.5
81.03409	1.9
81.07031	3.3
84.08141	2.5
85.02889	3.7
86.09682	4.6
91.05463	3.6
93.07035	2.5
95.04940	2.7
103.05417	6.9
104.81653	1.5
105.06990	2.8
107.04952	3.9
111.04432	2.1
115.05437	15.2
119.08578	1.7
121.02814	1.5
123.04409	36.4
127.03938	1.4
131.04866	10.5
133.06448	1.9
135.04405	4.0
135.08060	1.4
137.02318	6.3
137.05968	4.0
143.04898	16.1
147.04407	4.9
149.05937	7.8
151.03932	1.6
152.06165	3.1
152.35747	1.5
153.05417	2.3
154.08624	9.2
159.04393	9.1
160.05191	21.4
161.05969	19.3
162.06746	2.3
163.03900	8.5
165.05434	6.2
165.06877	2.5
167.08545	9.1
169.06441	1.8
175.03746	1.9
176.06233	3.0
177.05443	10.1
177.06976	19.0
178.07593	2.9
179.08578	4.6
181.06430	6.3
185.13083	1.5
187.03856	11.9
194.13884	1.4
194.37012	1.3
195.06421	2.5
195.08043	12.2
197.06003	2.3
199.07358	1.7
205.04880	8.5
205.06508	42.4
206.06885	2.8
207.08049	5.6
210.06653	2.8
211.07379	1.9
213.09079	5.1
223.07518	61.8
224.05879	2.4
224.07922	5.4
225.09003	4.0
226.06250	8.1
227.07008	3.3
233.05914	16.8
234.06639	2.2
235.07498	3.4
237.05449	1.8
240.07556	1.4
241.08556	14.5
242.05763	2.8
250.06136	2.5
251.07005	62.1
252.07465	6.5
253.08525	3.2
255.06439	3.0
256.07202	1.8
268.07242	2.1
269.08051	100.0
270.08398	9.0
271.09457	2.3
279.06476	39.7
280.06833	2.8
287.09088	15.3
297.07535	96.1
298.07840	5.0
299.11172	6.7
300.11951	2.2
315.04962	1.4
315.08527	34.3
315.14377	14.1
315.17892	4.4
315.22998	1.7
316.08820	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1956
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
55.01841	0.6
55.05494	1.7
57.07060	1.9
58.26658	0.4
60.04514	7.1
60.45971	0.4
66.91721	0.5
67.05487	3.0
68.05013	1.6
68.99769	1.0
69.03419	0.8
69.07057	1.9
69.68826	2.7
69.69234	0.7
70.02584	0.7
70.02941	8.6
71.04974	0.4
71.08608	1.8
72.04501	1.9
79.05473	2.8
80.04999	1.3
81.07030	3.0
82.06528	0.8
83.04970	1.3
83.08614	0.8
84.04478	0.4
85.02878	1.3
85.10146	0.5
88.03973	100.0
89.04305	0.7
89.40881	0.4
91.05468	1.6
93.07030	1.9
95.04942	1.5
95.08580	1.7
96.04474	1.9
96.08112	0.7
97.06505	0.4
98.06039	1.5
98.21444	0.7
105.07018	1.1
106.05007	0.8
106.06537	0.8
107.04924	0.6
107.08571	0.6
108.04459	0.4
108.08083	0.4
109.06497	1.0
109.10110	0.6
114.05515	1.4
116.03410	2.2
119.08588	0.7
121.06483	0.6
121.10142	0.7
122.06011	0.9
124.03967	0.5
124.07561	2.1
126.05498	2.9
130.25298	0.4
131.08578	0.6
133.10132	0.6
134.05988	0.5
135.08057	0.5
136.07555	0.5
136.68243	0.4
139.00266	0.7
142.04933	0.6
149.05933	0.9
152.07039	1.8
155.14354	0.5
158.10901	0.4
160.06044	2.1
168.06511	0.7
172.06070	4.6
173.13104	0.6
189.05486	1.0
194.59377	0.5
198.07558	4.1
219.07973	0.5
221.10413	0.5
222.06694	1.0
222.18494	0.6
223.16866	1.2
227.16359	1.3
237.09105	0.6
250.17990	1.4
265.08453	2.9
266.17545	0.5
268.18942	2.7
272.06760	3.3
282.08774	1.3
287.05496	1.5
296.18484	6.5
296.21695	0.5
297.11130	5.3
298.10727	0.8
299.11417	0.9
300.06323	4.1
314.13672	3.6
314.19553	96.5
315.04935	1.9
315.08444	8.6
315.19836	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	314.1956
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
50.35481	0.4
54.03471	2.2
55.05497	1.5
56.05017	1.6
57.07062	9.3
57.71919	0.4
66.40807	0.4
67.05489	2.9
68.05009	1.1
69.07049	1.8
69.64355	1.4
69.64774	2.9
70.02931	1.4
70.06571	0.9
71.04990	5.4
71.08617	10.8
73.91524	0.5
79.05466	1.1
81.07047	6.7
82.02933	1.8
82.06589	2.6
83.04989	0.6
83.08586	1.3
85.10162	6.4
88.03983	0.9
93.07049	0.5
95.08595	7.5
96.04475	45.8
96.08118	0.7
97.04778	0.6
97.07578	0.5
97.10190	0.6
99.00790	3.2
100.03960	13.5
101.89610	0.4
110.06030	1.3
110.47124	0.4
114.05493	4.6
114.09151	0.8
116.07030	0.6
117.31783	0.5
124.03910	1.4
138.05469	0.6
142.04965	7.4
142.08614	1.4
151.07516	0.6
155.14252	3.7
160.06035	8.7
160.09680	2.0
198.07643	0.6
198.18504	18.4
206.19041	0.8
208.16931	10.3
254.17459	8.0
268.19028	3.3
296.18674	1.3
298.10699	0.6
314.19601	100.0
314.23138	10.8
315.08600	0.9
315.19864	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	314.1744
Annotation	Laurifine
Peak:m/z	Relative Intensity
58.06591	80.1
59.06937	0.8
70.07030	1.5
70.07444	1.9
91.05440	0.6
95.04961	0.7
98.21339	1.2
105.07049	0.8
107.04935	31.1
115.05440	1.6
117.07027	0.7
121.06490	3.7
136.06209	1.8
137.05939	3.7
143.04930	4.4
145.06479	4.2
147.08069	1.8
148.56171	0.6
149.06007	0.7
150.06657	0.7
151.07494	8.8
151.08505	0.7
152.07042	2.7
160.05293	0.9
162.05533	1.0
163.07567	1.3
164.97978	0.5
165.09148	1.6
166.07797	0.9
175.07536	5.6
182.04958	0.6
191.08649	2.3
192.10291	2.2
194.07336	2.0
195.08067	1.4
205.06523	1.2
207.08138	1.3
209.09578	4.0
211.11296	1.0
219.08105	1.5
220.96704	0.6
222.06842	2.0
223.07542	1.1
236.08076	0.6
237.09042	5.8
239.06955	1.3
239.10841	1.7
251.06863	0.5
253.08670	0.7
256.09735	0.8
265.08572	7.4
265.10779	0.8
266.08606	0.7
267.06482	1.1
268.07425	1.5
269.11676	10.4
269.14444	0.6
270.07843	0.8
271.13281	3.9
282.08774	2.8
282.11591	0.7
283.09695	3.3
284.09335	2.1
296.12875	1.0
297.11185	10.3
298.10699	39.7
299.11447	24.9
300.11969	1.2
314.10181	2.3
314.13956	94.1
314.17639	100.0
315.14304	11.4
315.17993	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	314.1744
Annotation	Laurifine
Peak:m/z	Relative Intensity
52.98612	0.4
55.01837	0.5
57.86336	0.4
58.06588	30.7
61.31222	0.4
70.98888	0.8
70.99220	0.8
77.62318	0.4
89.95366	0.5
91.05443	0.9
93.07008	0.4
95.04958	0.6
103.05460	0.8
107.04934	48.0
108.05265	0.6
115.05424	5.0
117.06958	1.0
119.04920	0.7
121.06483	5.4
131.04883	0.6
133.06450	0.6
137.05943	5.2
140.12099	0.4
143.04903	9.0
145.06458	5.2
147.08005	1.0
151.07498	1.4
163.07503	1.2
165.06970	0.9
166.07785	0.6
175.07530	4.4
176.10612	0.7
177.06923	1.7
177.09077	1.2
181.06400	0.8
181.10068	1.0
183.04919	0.4
190.07729	0.8
191.08478	3.5
192.10204	2.3
193.06459	0.5
193.10799	0.6
194.07231	4.0
194.11771	1.2
195.08000	0.6
205.06444	9.6
206.06851	0.6
207.07957	0.8
208.08818	0.7
209.09561	5.2
211.07455	0.7
211.11203	0.9
219.08044	2.2
222.06723	6.4
223.07391	0.9
225.09206	0.5
233.05927	8.5
234.06477	0.8
236.08249	0.5
237.09065	14.1
238.09509	1.3
239.06902	1.5
239.10776	0.7
240.07565	0.7
247.07506	0.4
247.36349	0.4
250.06226	2.3
251.06898	1.1
251.10542	0.7
254.09319	1.2
255.09941	0.4
265.08554	37.6
266.08884	3.3
267.06412	1.4
269.11682	9.5
270.12134	0.4
271.13199	2.9
282.08835	3.6
282.11484	0.8
282.14536	0.5
283.09619	0.6
297.11160	35.6
298.11197	3.6
299.11380	0.9
305.01352	0.4
314.13953	7.1
314.17404	100.0
315.14206	0.4
315.17661	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	314.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.0
57.36979	1.9
67.05488	2.5
68.99791	3.9
69.90814	12.6
69.91254	3.3
79.05484	2.6
87.00813	36.0
91.05470	10.2
97.02860	3.1
105.01841	36.2
105.03364	6.4
107.04934	4.6
111.04395	2.3
121.06470	6.3
121.10257	2.3
129.06987	13.4
131.04898	2.2
131.08516	10.8
137.05963	7.1
139.00223	6.9
147.08029	10.2
149.06021	3.6
151.03860	5.4
152.04272	2.6
165.05528	3.4
165.06979	9.5
166.07736	6.8
175.07570	8.9
178.07602	3.4
179.08485	6.0
181.06462	10.9
189.06999	2.4
191.08572	8.6
191.88072	2.6
193.06459	9.8
194.07224	15.7
195.02827	6.6
195.08038	4.6
199.08678	3.5
205.06458	11.2
206.07245	4.3
207.08041	5.3
208.08795	41.2
209.05948	37.0
209.09439	6.2
219.08144	5.6
221.06114	3.2
222.06689	11.6
223.07565	5.8
224.08289	66.8
225.05481	3.5
225.08768	3.1
233.05901	6.7
237.09137	15.0
239.06966	5.0
239.10648	46.8
240.11000	2.5
248.65205	2.7
250.06189	4.5
251.06958	6.3
252.07852	2.5
253.05005	4.1
253.08534	3.9
265.08563	100.0
266.09183	13.5
267.06528	9.3
268.07242	5.6
271.10007	2.3
279.08606	12.0
282.08936	14.7
283.09601	52.4
287.05478	8.4
297.07941	4.8
297.11182	65.2
298.10742	14.1
299.11453	6.3
314.07343	3.9
314.13806	41.8
314.17435	10.7
315.04971	26.4
315.13281	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	314.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.3
54.12519	0.2
57.03415	0.7
61.01141	0.9
67.05491	0.4
69.03416	2.2
69.88544	1.8
70.06573	0.9
71.01337	0.3
71.04974	0.6
72.08150	0.3
72.49696	0.2
73.02891	0.5
79.05502	0.3
81.03412	0.3
83.04964	0.7
84.04478	0.4
85.02890	1.4
86.99049	0.3
87.04442	0.3
89.03896	0.5
89.06027	1.0
90.10069	0.2
93.03438	0.3
95.04949	0.5
95.06088	0.5
97.02875	41.3
98.03201	0.9
99.04452	0.5
107.04977	0.3
108.08097	4.6
111.04426	0.9
112.04769	0.6
117.03329	0.4
117.05460	2.5
119.03516	0.6
123.04374	0.4
123.06776	0.3
124.07575	0.7
127.03901	0.2
130.05026	0.3
131.01869	0.4
134.06009	0.7
135.04416	0.7
135.05414	0.6
135.06491	0.7
136.06161	100.0
137.04562	0.4
137.06659	1.3
139.03888	1.3
140.04222	1.0
143.01599	1.8
145.02754	0.3
148.06169	0.6
150.62746	0.3
152.07027	2.5
152.10657	0.5
161.02707	2.0
162.07834	0.6
163.03882	4.2
164.04332	0.6
164.05643	4.6
164.07022	0.6
171.05086	0.5
176.05638	0.3
178.07227	1.9
179.03699	2.1
211.14384	0.4
220.08203	0.4
234.09520	0.2
248.07779	0.8
250.09254	0.3
273.08130	1.0
278.06912	0.4
291.09122	0.3
296.08109	4.0
297.07776	0.6
297.10953	0.4
298.10532	0.3
314.09048	9.8
314.12405	3.7
315.09235	0.9
325.74460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.1
55.79760	0.4
57.03148	0.9
57.03424	14.3
57.07066	41.9
58.07394	1.1
58.65715	0.5
59.04987	0.5
60.08149	1.4
67.05495	8.4
69.07056	8.1
70.27986	0.8
70.28400	1.9
71.04952	0.6
71.08618	29.9
72.08955	0.8
75.04465	0.5
79.05479	1.1
81.07039	11.5
83.04986	0.6
83.08604	9.6
85.10168	15.6
89.06007	2.0
91.05473	1.3
93.07015	1.6
95.08588	16.9
96.24108	0.4
97.06522	0.6
97.10146	5.0
99.11726	1.0
103.07552	1.4
104.76639	0.4
105.06984	0.7
107.08568	0.9
109.10133	7.8
111.11707	0.8
117.09113	0.6
119.08516	0.5
121.10165	0.8
123.11691	3.8
125.13253	0.6
125.84775	0.4
129.05490	0.5
133.54042	0.4
137.13239	1.1
137.46608	0.4
141.37830	0.5
149.02286	0.6
151.07484	0.7
151.11111	0.5
151.14719	0.8
205.91431	0.5
239.23668	3.8
257.24722	3.8
298.10776	1.2
298.27365	0.6
299.11490	1.5
313.27332	100.0
313.36456	9.4
314.13687	4.6
314.27695	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48024	0.1
53.00299	0.3
53.03951	0.1
53.99827	0.1
55.05500	3.5
57.03426	7.2
57.07063	32.4
58.07388	0.3
59.04999	0.2
65.03929	0.1
67.05491	6.4
69.07054	5.0
70.10101	0.4
71.04977	0.3
71.08616	21.3
72.08948	0.2
73.06539	0.1
74.30431	0.1
74.35527	0.1
75.04461	0.3
79.05477	0.6
79.10715	0.1
81.07039	8.0
81.12443	0.1
82.07373	0.1
83.04994	0.2
83.08604	5.4
85.06527	0.4
85.10165	11.9
86.10488	0.1
89.06012	0.9
91.05458	0.1
93.07030	0.8
95.04929	0.1
95.08586	11.4
96.08948	0.2
97.06523	0.2
97.10149	2.9
99.08054	0.2
99.11715	0.5
99.98574	0.1
101.06033	0.1
103.07547	0.7
105.06994	0.1
106.44076	0.1
107.08577	0.4
109.10133	4.6
111.08065	0.1
111.11719	0.6
111.92437	0.1
113.13251	0.2
117.09113	0.2
119.08562	0.3
121.06413	0.1
121.10117	0.3
123.08039	0.1
123.11681	1.7
123.12498	0.2
125.09629	0.2
125.13251	0.2
127.14793	0.1
129.05537	0.2
131.08516	0.1
131.10661	0.2
135.11678	0.3
137.13222	0.6
139.11087	0.1
139.14856	0.1
149.13220	0.2
151.07535	0.4
151.14784	0.3
165.16380	0.1
173.09598	0.1
174.41045	0.1
189.09146	0.1
201.09111	0.2
221.22549	0.2
237.22104	0.1
239.23645	1.5
257.24686	0.9
295.16776	0.2
295.22449	0.1
298.10748	0.3
298.27280	0.1
299.11288	0.2
313.27295	100.0
314.13705	0.7
314.27655	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	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14300	0.5
53.03945	0.6
55.05503	6.3
57.03430	17.0
57.07067	45.9
58.07388	0.8
59.04990	0.5
67.05497	9.3
69.04426	0.5
69.07058	9.1
71.08620	30.0
71.81875	0.5
71.82310	0.7
73.75152	0.5
79.05485	1.1
81.07042	13.1
83.08609	11.1
85.06536	0.8
85.10170	16.0
87.04443	0.6
89.06021	1.9
91.05466	1.5
93.07052	1.8
95.08594	19.4
97.06490	0.6
97.10148	4.3
99.11736	1.2
103.07561	1.9
103.70170	0.5
105.03346	0.6
105.07001	1.3
107.08585	0.9
109.02870	0.5
109.10136	7.7
111.11682	0.9
117.09163	0.8
121.10186	0.9
122.02634	0.6
123.11687	3.2
125.13262	0.6
131.08572	0.9
137.13264	2.2
151.14713	0.7
155.14326	0.8
157.10133	1.2
159.11559	0.6
165.16470	0.8
175.03906	0.5
220.42287	0.6
239.23718	3.5
257.24710	3.8
298.10745	2.1
298.27292	1.2
299.11520	1.1
313.27371	100.0
313.36755	1.8
314.13663	3.8
314.21140	1.6
314.27716	3.5
322.93713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
55.01831	0.6
55.05499	5.1
56.05007	1.2
57.03427	5.1
57.07068	16.6
58.07373	1.3
64.60563	0.6
67.05495	7.8
68.04955	0.7
68.05795	0.8
69.07053	10.2
70.02900	1.0
70.07386	3.0
71.08614	14.2
71.78923	1.2
72.08913	2.3
73.06509	0.9
79.05420	1.8
80.04946	1.2
81.07035	9.8
82.06512	2.3
82.07322	1.9
83.04932	0.8
83.06870	1.0
83.08598	3.4
84.08123	8.0
84.08867	0.9
85.06469	0.7
85.08448	3.8
85.10166	8.5
86.09635	1.9
86.10464	1.2
90.94282	0.5
91.05471	2.9
93.07026	3.0
95.04917	1.2
95.08591	10.3
96.08860	2.6
97.06470	0.6
97.10081	2.5
97.52238	0.5
98.06029	0.8
98.10396	0.5
100.07549	0.5
105.06992	1.2
107.08521	1.6
109.06422	0.7
109.10133	3.9
110.09647	0.7
110.10417	1.0
111.11670	0.7
112.11237	5.4
113.11554	3.2
119.08530	1.2
121.10017	1.6
123.11637	1.4
131.12537	0.9
135.11588	0.7
143.08470	1.3
145.10028	1.1
155.14243	1.2
156.14561	1.1
157.10001	1.6
158.11662	1.5
159.12047	2.7
160.08629	0.6
169.10013	0.6
173.13054	0.7
195.19231	0.7
197.13321	0.6
198.18497	4.4
199.17140	0.7
199.18820	8.6
211.18600	1.0
239.23615	1.0
247.73384	0.6
249.24008	2.9
257.04199	0.9
257.24408	1.2
266.24695	3.5
267.25076	44.5
268.25198	1.8
298.10452	2.1
299.11188	1.5
313.25351	100.0
313.32553	2.8
314.13800	5.1
314.21817	0.8
314.25568	4.8
321.63080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.6
55.01867	6.8
55.05489	19.8
57.07063	25.9
67.05501	42.2
69.07055	31.4
71.04969	10.6
71.08626	23.0
71.78632	5.8
71.78988	6.3
79.05486	34.0
81.07047	70.1
83.04977	14.3
83.08605	16.1
85.06529	12.3
90.74590	5.7
91.05468	44.9
93.07040	68.4
95.04952	40.8
95.08593	59.1
97.06514	18.7
99.08149	5.6
103.05469	11.8
105.07022	68.5
107.08596	36.8
109.06505	18.1
109.10135	32.8
115.05435	6.1
117.06980	11.5
118.72194	6.6
119.08575	71.2
121.06484	17.9
121.10120	34.6
123.08073	12.0
123.11701	13.1
128.06262	6.4
129.06992	10.0
131.08568	33.8
133.10120	81.0
135.08061	8.6
135.11707	10.3
135.59064	6.1
137.09581	10.2
142.07770	20.7
143.08559	35.8
145.10097	54.9
147.08060	7.3
147.11659	18.0
149.09605	12.6
154.29915	5.4
155.08492	17.8
156.09352	21.7
157.10114	46.2
158.10881	15.6
159.08081	7.9
159.11661	32.1
161.06004	5.8
161.09607	10.4
161.32370	6.0
169.10030	14.3
170.10913	10.4
171.11636	48.9
173.09619	14.4
173.13213	71.3
175.03931	9.3
175.11186	8.8
175.14760	9.4
179.08588	7.7
181.10072	10.5
183.11711	12.0
185.13248	18.6
187.03885	18.7
187.14780	13.6
195.11653	11.8
197.13274	14.0
199.14845	25.7
200.04683	22.6
201.05362	10.4
209.13225	17.8
211.14835	13.3
213.16502	6.7
221.13225	8.4
227.14346	9.2
231.17503	8.7
251.17987	8.3
295.20328	33.1
297.11264	11.1
298.10800	16.4
299.11462	7.0
313.10703	9.6
313.17960	100.0
313.21606	43.2
313.27475	17.4
314.13803	43.0
314.17688	13.0
314.23074	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03449	2.2
54.71067	0.6
55.05490	2.1
56.05024	4.0
57.07064	16.0
67.05231	0.5
67.05499	5.2
69.07047	2.6
70.02937	3.1
70.06574	9.8
71.06076	0.8
71.08617	20.3
71.80875	0.9
71.81244	1.0
72.04484	1.4
79.05462	1.4
81.06586	1.0
81.07039	11.9
82.02883	0.6
82.06546	2.4
83.08595	1.4
84.08150	0.8
85.06503	0.7
85.10162	10.6
87.05574	7.0
91.05462	0.8
95.08587	14.1
96.04472	13.9
96.08086	0.6
97.08648	0.5
97.60465	0.5
98.06030	5.5
99.00793	1.3
100.03960	17.2
105.07038	0.9
107.08516	0.7
109.10145	0.8
113.07109	35.0
114.05504	20.7
119.08499	0.9
119.96185	0.6
124.03905	1.1
137.13225	1.5
137.91080	0.5
139.95114	0.5
141.06592	2.0
142.04968	31.2
143.04478	0.6
151.03952	0.8
155.14281	5.4
159.07622	100.0
160.07970	0.7
161.05862	0.6
167.43422	0.5
173.06039	0.9
176.04305	0.6
189.05432	3.2
191.08557	0.7
198.18494	7.5
205.10838	0.6
208.16946	2.9
222.06763	0.7
237.09084	0.9
254.17513	1.6
265.08527	3.1
267.20657	0.6
279.64871	0.6
282.08905	1.5
296.18481	1.3
297.11136	5.3
298.10587	0.9
313.03326	2.4
313.17975	2.9
313.21152	36.6
314.13766	3.5
314.23380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1793
Annotation	Rubifolide
Peak:m/z	Relative Intensity
55.05505	0.6
57.06791	0.1
57.07065	2.8
66.67332	0.1
67.05493	0.4
67.51257	0.1
69.03396	0.1
69.07051	0.8
70.70155	0.3
70.70500	0.1
71.08614	1.2
79.05447	0.1
81.07031	0.5
83.08588	0.2
87.04441	0.2
91.05465	0.1
93.07008	0.2
95.08599	0.4
95.09126	0.1
103.05445	0.2
105.06982	0.1
107.08585	0.1
114.03767	0.1
115.05401	0.6
116.06243	0.1
117.06998	0.5
119.08598	0.1
131.04912	0.5
133.06454	0.2
140.06993	0.1
141.07039	0.2
143.04927	0.5
144.05688	1.1
145.06470	2.2
146.06778	0.1
147.04379	0.3
153.06932	0.1
155.04875	0.7
155.06007	0.2
157.06409	0.1
159.04384	0.3
159.07953	0.1
161.05952	3.0
165.06975	0.1
169.06432	0.7
171.04375	1.6
172.05167	0.8
173.05954	3.5
174.06221	0.1
175.03882	0.2
181.06410	0.1
183.04338	0.6
183.07979	0.1
184.05121	0.2
185.05963	0.3
187.03871	20.8
188.04222	1.0
189.05437	8.5
190.05751	0.3
197.05951	1.1
198.06340	0.1
199.07507	0.1
200.04649	24.5
201.05412	9.6
202.05745	0.4
203.06998	0.2
211.07515	0.3
213.05379	0.5
214.06171	0.3
214.52074	0.1
215.06969	0.2
265.08524	0.1
295.16837	0.1
295.21024	0.1
297.11026	0.1
298.10669	0.2
312.17194	0.1
313.17914	100.0
314.18228	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1792
Annotation	Rubifolide
Peak:m/z	Relative Intensity
55.05514	0.7
57.07068	2.6
60.85862	0.1
67.05499	1.0
69.07059	0.8
70.05029	0.7
71.08616	1.7
71.68314	0.1
79.05478	0.2
81.07053	0.9
83.08586	0.2
85.10145	0.2
86.09686	0.1
91.05448	0.3
93.07008	0.5
95.04918	0.3
95.08587	0.8
103.05412	0.2
105.06996	0.4
107.08533	0.3
109.06454	0.1
109.10171	0.2
115.05424	0.6
116.06151	0.2
117.06995	0.5
119.08534	0.4
121.06468	0.3
121.10099	0.1
123.07980	0.1
129.06953	0.1
129.09128	0.1
129.10248	0.1
131.04936	0.6
131.08606	0.1
133.06374	0.1
133.10118	0.3
135.11725	0.2
141.07013	0.2
143.04904	0.6
143.08539	0.2
144.05675	1.2
145.06461	2.1
145.10057	0.2
146.06779	0.2
147.04372	0.3
147.11658	0.1
151.07483	0.2
155.03810	0.1
155.04889	0.7
155.05972	0.2
157.06438	0.2
157.10074	0.1
159.04375	0.2
159.07922	0.1
159.11555	0.2
161.05954	2.8
162.06265	0.2
165.06932	0.2
168.05765	0.2
169.06444	0.6
171.04350	1.2
171.11644	0.1
172.05150	0.7
173.05952	3.8
173.13217	0.2
174.06300	0.2
175.03886	0.4
175.14828	0.1
181.06383	0.2
183.04393	0.7
183.08035	0.1
184.05055	0.2
185.05937	0.3
187.03871	20.2
188.04216	0.9
189.05434	8.4
190.05782	0.3
191.08556	0.1
195.08044	0.2
197.05978	1.5
197.13289	0.2
200.04648	23.5
201.05415	9.8
201.06958	0.1
201.08276	0.1
201.09059	0.1
202.05777	0.4
211.07462	0.3
211.14705	0.1
213.05452	0.4
214.06148	0.3
215.06920	0.3
243.09886	0.1
257.04428	0.5
265.08408	0.2
266.25024	0.1
268.26199	0.4
295.20441	0.2
297.11084	0.3
298.10712	0.2
313.17914	100.0
314.14005	0.5
314.18256	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	313.0702
Annotation	Tournefolic acid A
Peak:m/z	Relative Intensity
53.22757	0.3
55.05504	0.5
57.07054	0.5
58.03522	0.3
65.03921	0.4
67.05484	0.9
69.03416	0.3
69.07051	0.6
70.06562	0.3
71.04960	0.4
71.08604	1.1
71.79306	0.4
79.05473	0.7
81.03408	0.7
81.07037	2.7
83.04939	0.4
83.08610	0.3
84.08178	0.3
85.02903	0.3
85.06479	0.8
85.50426	0.3
88.11242	0.3
89.24487	0.3
91.05477	0.5
93.07027	0.8
95.04945	0.5
95.08588	1.0
97.06479	0.6
98.09664	1.2
99.08040	0.5
103.05434	0.7
105.07015	0.7
107.08553	0.5
109.02856	0.7
109.10129	0.6
111.04405	0.8
111.08048	0.4
116.06207	0.4
116.10704	1.0
119.08465	0.3
121.10164	0.5
131.04910	0.5
138.05515	0.3
139.05365	0.4
140.06177	1.7
147.11674	0.3
151.03897	4.0
151.05029	0.6
153.03391	0.4
155.04918	0.5
156.05634	0.7
168.05695	8.0
169.06041	0.6
170.15411	2.9
178.04129	0.7
183.04384	6.5
184.05135	0.8
191.08214	0.6
194.55072	0.4
195.04413	1.0
196.05168	4.4
198.14853	6.1
207.15683	0.3
209.02307	8.5
211.03862	4.3
212.04536	0.4
221.05904	0.5
223.03810	2.8
223.07184	0.4
224.04643	18.5
225.05049	1.2
225.09125	0.4
226.14288	1.9
228.04146	5.8
229.04465	0.4
235.10611	0.5
236.07889	0.6
239.06943	1.7
240.04103	0.4
251.03305	3.3
251.10277	0.9
252.03973	0.4
253.03215	0.4
253.08466	0.5
256.03470	1.5
266.12451	1.9
267.06485	5.8
268.07056	0.4
268.10056	0.5
269.04395	1.5
280.03632	3.2
281.08035	0.5
285.07507	4.2
286.07962	0.4
295.05966	100.0
296.06335	5.3
296.09756	0.3
297.11154	0.8
313.03400	0.7
313.06842	0.4
313.10861	0.9
313.16171	0.5
313.24545	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0696
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
51.45712	0.0
53.03939	0.2
55.01865	0.1
55.05491	0.1
57.03414	0.2
58.73159	0.0
65.03925	0.6
67.01844	0.2
67.05459	0.1
68.99762	0.5
69.00064	0.1
69.03411	0.1
71.04958	0.1
71.55012	0.1
79.01855	0.1
81.03397	1.2
83.01307	0.1
83.04949	0.1
85.02884	1.0
91.04982	0.0
91.05441	0.3
93.03383	0.6
95.04947	0.2
97.02872	0.2
99.04413	0.1
103.05420	0.1
105.03359	0.2
107.01291	0.2
107.04946	0.2
109.02858	1.1
109.06497	0.1
110.03659	0.1
111.00779	0.1
111.04391	0.2
115.05459	0.1
118.04120	0.1
119.04912	1.5
120.05730	0.1
120.08077	0.4
121.02838	5.8
123.04417	0.1
124.01533	0.1
125.02354	0.3
127.03872	0.2
131.04916	0.1
133.02827	0.3
135.00760	0.1
135.04411	0.1
137.05966	0.0
138.03079	0.4
138.53363	0.0
139.03839	0.1
141.01764	0.1
141.06969	0.1
143.03331	0.1
145.02811	1.8
145.06471	0.1
147.04367	0.1
149.02307	2.6
151.03877	1.1
151.04939	0.1
153.01794	0.7
153.06924	0.1
157.06447	0.1
163.02579	0.1
163.03859	0.8
163.05254	0.1
165.00473	0.0
165.01794	0.8
165.07004	0.2
166.02611	0.3
167.03366	6.2
168.03790	0.1
169.04993	0.1
169.06406	0.1
170.02086	0.1
171.02852	0.2
171.07948	0.1
173.05917	0.1
175.03958	0.1
177.01782	1.6
181.06430	0.1
182.07237	0.1
183.02859	0.4
183.08018	0.2
184.03661	0.4
187.03830	0.3
191.08536	0.0
193.06430	0.1
195.02856	3.6
196.03232	0.1
197.05981	0.3
199.07523	0.1
200.08301	0.1
201.05499	0.1
202.06274	0.2
205.06367	0.1
210.06711	0.2
211.07463	0.5
213.03813	0.1
213.05559	0.2
215.07027	0.2
221.05995	0.2
223.07535	0.2
225.05406	0.1
227.07014	0.5
228.07770	0.4
229.04903	1.6
230.05157	0.1
238.06152	0.1
239.06964	1.5
240.07376	0.1
241.04903	0.1
241.08577	0.1
242.05679	0.7
243.06497	0.3
247.06024	0.1
249.05296	0.1
251.07039	0.2
253.04854	0.2
255.06459	1.8
256.07251	2.4
257.07953	0.1
265.08542	0.2
266.05695	0.2
267.06470	10.5
268.06833	0.5
269.04434	0.5
269.07983	0.2
270.05167	3.6
271.05817	0.2
282.08472	0.1
283.05948	8.9
284.06726	15.1
285.07376	1.7
295.05933	7.0
296.06201	0.3
297.11093	0.1
298.04633	0.1
313.06985	100.0
314.07333	3.6
314.13367	0.1
316.05627	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.5
56.05014	1.2
56.05810	0.4
57.03427	0.8
57.07063	19.4
64.86182	0.4
67.05494	4.4
69.03415	5.2
69.07055	3.9
69.54523	3.7
70.06565	0.6
71.08617	8.6
71.16579	0.4
79.05479	1.6
81.07045	4.0
82.06567	2.5
83.08602	2.5
84.08135	4.3
85.10161	4.7
86.06051	1.6
87.04440	5.6
91.05455	0.8
93.07024	1.4
94.06567	2.8
95.08591	6.6
96.08106	0.5
97.10149	1.2
98.06077	0.5
109.10136	3.7
112.07581	56.9
113.07915	1.3
122.09672	0.6
123.11690	0.9
124.07592	0.5
130.08607	13.3
144.13435	0.3
150.09105	1.1
153.98196	0.4
164.44086	0.4
168.10101	0.4
178.89085	0.4
183.17358	0.9
226.21588	4.5
238.11690	0.4
260.85843	0.4
294.24115	2.2
308.80045	0.4
312.25272	100.0
313.25504	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	312.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02277	0.8
54.16819	0.7
55.05501	8.7
56.05037	0.9
57.03409	3.7
57.07067	22.5
58.07392	1.2
67.05498	7.6
69.07058	8.5
70.02916	2.0
70.06576	4.7
71.08618	19.4
71.82005	1.9
72.08118	2.6
79.05455	4.1
80.04971	1.3
81.07049	15.2
83.04973	0.9
83.08608	6.0
84.08104	1.2
85.10168	10.0
87.02674	2.1
89.06058	0.9
91.05464	2.3
93.07013	2.6
95.04946	1.0
95.08595	16.3
96.08099	3.1
97.10126	3.2
98.06025	1.0
98.09682	7.6
105.06997	3.3
107.08554	2.3
107.69941	0.8
108.08124	1.0
109.10152	4.7
111.11720	0.9
120.08119	0.8
122.09620	2.2
123.08053	9.2
123.11688	1.1
126.09121	2.5
130.06839	2.8
137.13216	1.8
144.10121	2.5
155.14273	9.1
158.06290	2.8
198.18463	1.7
208.20636	0.8
208.86638	0.8
209.11804	0.9
210.12007	2.0
210.18689	1.1
238.11636	1.5
248.23668	2.7
266.24741	50.9
267.25034	2.0
269.41443	0.9
277.21570	9.3
284.20425	1.3
295.22580	4.6
312.08826	1.0
312.20053	12.2
312.25287	100.0
312.32535	7.7
313.27170	12.8
314.42349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
56.05029	1.9
57.03406	1.3
57.07066	6.7
63.69093	0.3
67.05490	5.4
68.04988	0.9
69.07056	8.2
70.02927	2.3
70.06576	0.5
71.08617	7.8
73.06541	0.7
76.67037	0.3
79.05475	0.6
80.04988	1.1
81.07044	6.2
82.06570	2.8
83.04906	0.4
83.08604	2.0
84.04461	1.3
84.07629	0.7
84.08126	12.8
85.08480	0.5
85.09711	0.5
85.10165	4.8
86.09696	2.9
91.05409	0.5
93.07011	0.9
94.06561	0.6
95.07993	0.4
95.08593	7.8
96.08124	0.8
97.10171	0.4
98.06020	0.9
98.20671	1.1
109.10112	1.4
110.09637	0.6
112.11227	9.6
120.08018	0.5
123.11654	0.5
124.11171	0.4
130.12241	0.7
136.11143	0.7
140.10641	1.1
150.12682	0.6
152.49048	0.4
152.72231	0.4
155.14293	1.0
158.11742	4.2
192.17458	0.7
194.19095	0.9
196.16895	0.9
198.18507	10.7
199.18791	0.6
210.18527	1.7
248.23657	4.0
257.14740	0.4
266.24753	50.9
267.25113	4.6
267.90317	0.4
312.25278	100.0
313.25397	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	312.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05500	1.5
56.05026	0.4
57.07070	4.3
57.92775	0.2
67.05500	2.5
67.46626	0.3
68.05012	0.8
69.03423	3.1
69.07056	2.3
69.61722	2.3
70.06586	0.8
71.08633	3.0
72.04501	0.5
75.77000	0.2
79.05482	2.3
80.05014	0.5
81.07039	2.9
82.06570	1.4
83.04968	0.4
83.08607	0.7
84.04511	2.0
84.08135	1.1
85.10165	0.8
86.06055	3.0
87.04451	4.7
87.88094	0.2
91.05474	1.1
93.07009	1.3
94.06557	1.2
95.04939	0.6
95.08582	2.3
96.08121	0.5
97.10162	0.3
98.06059	1.7
105.07030	0.8
106.06525	0.5
107.04937	0.6
107.08596	0.8
108.08102	0.4
109.06532	0.3
109.10117	0.3
110.06028	0.9
112.07597	6.4
114.05540	0.3
115.05481	0.5
117.07003	1.0
119.08537	0.3
121.06492	0.7
121.10104	0.4
122.06031	1.0
122.09632	0.8
122.10462	0.3
123.04421	1.2
124.07542	2.5
130.08635	0.4
131.04915	0.7
131.08589	1.0
133.06441	0.4
133.10167	0.3
136.07597	0.4
140.07040	7.0
143.04904	0.4
144.05704	1.0
145.06468	1.7
145.10081	0.3
147.04391	0.3
150.05470	0.4
150.09138	2.9
152.07036	3.3
155.04910	0.5
158.08115	7.4
159.04382	0.4
161.05957	2.7
169.06500	0.4
170.08147	1.3
171.04388	1.3
172.05191	0.8
173.05975	3.8
173.13237	0.4
175.03844	0.3
178.08673	0.7
183.04471	0.4
183.08022	0.3
185.05861	0.4
187.03883	18.6
189.05450	7.8
191.14336	0.4
196.09703	2.4
197.05901	1.3
200.04663	21.5
201.05443	8.6
208.17024	0.7
210.12108	0.9
213.05449	0.6
214.06274	0.4
238.11609	0.8
240.75114	0.3
266.21237	0.5
276.19485	2.0
277.17932	0.4
294.20612	3.6
294.23816	0.3
301.00201	0.3
302.03360	0.2
311.74832	0.3
312.21710	46.8
312.25308	6.8
312.32623	1.0
313.17941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01855	2.4
55.05491	0.8
57.03438	5.1
61.02917	12.1
65.51733	0.8
69.03415	14.1
69.07061	9.9
71.04415	2.0
71.04980	1.9
73.02911	4.2
73.06538	1.2
76.10376	0.7
81.03412	7.3
85.02892	100.0
86.03204	1.9
87.04455	3.0
87.08096	20.9
91.03950	6.8
95.61291	0.8
97.02880	24.3
98.03205	0.7
99.04453	2.8
105.09110	2.2
109.02876	6.2
115.03930	1.2
119.56306	0.9
120.45879	0.9
127.03896	26.9
130.07576	0.7
133.08615	6.4
145.04936	53.1
146.05292	1.8
151.03842	1.3
163.06000	13.6
179.08528	1.2
180.08580	1.4
189.07007	4.2
205.06416	2.1
207.08003	1.5
217.06451	2.1
220.05159	5.9
221.05916	1.2
221.20593	1.1
223.07567	3.7
223.09949	0.8
235.07489	6.2
249.05411	1.1
251.07065	3.6
252.10139	2.3
263.06973	8.3
264.07410	1.5
267.03958	0.9
269.08047	2.6
271.03207	0.8
290.05319	0.9
295.06116	2.0
295.09650	9.6
312.08978	1.8
312.12265	9.9
313.07092	1.0
313.12576	1.7
317.19598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.6
64.56055	0.4
69.66015	3.5
81.03399	0.6
95.12710	0.3
102.60574	0.4
151.03841	1.8
169.52597	0.4
178.07753	1.0
179.08533	1.1
181.06564	0.5
189.06992	1.3
191.08508	0.9
194.07236	0.5
195.07928	0.9
196.08604	0.4
202.07715	1.8
203.08420	1.9
205.06430	7.0
206.06851	0.5
207.07973	0.6
208.08746	0.7
209.05957	0.7
216.05707	1.5
217.06451	11.3
217.08357	0.4
218.07164	2.8
218.09157	0.4
219.08038	4.0
220.08607	0.8
220.11139	0.5
221.09398	0.5
222.06642	0.6
223.07475	1.2
224.08304	2.8
230.07285	0.8
231.08130	0.8
231.10400	2.4
232.08800	36.9
233.05940	41.1
233.09288	3.4
234.06294	2.1
236.08299	0.9
237.08765	0.5
238.09663	0.5
239.06837	0.5
239.10648	1.4
241.08545	0.4
246.09096	0.6
247.07698	0.9
247.09877	0.9
248.08289	60.5
249.08781	3.2
252.07722	1.2
252.10184	0.4
255.10069	1.2
262.12283	1.0
263.10629	100.0
264.10992	4.3
266.09128	0.5
267.10092	4.5
268.10425	0.6
277.55533	0.5
278.11819	0.4
281.11209	0.4
283.09497	0.6
284.12778	2.6
294.14828	51.0
295.15070	2.3
297.10608	0.5
312.08972	0.6
312.12271	7.4
312.15936	2.2
313.03278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01861	0.6
55.05500	2.2
55.16361	0.4
56.05014	1.2
57.03407	1.1
57.07067	8.3
62.17709	0.3
65.33583	0.4
67.05489	3.9
67.15383	0.3
68.05003	0.6
69.07053	6.6
70.02930	0.4
70.06556	0.9
70.38304	1.8
70.77998	0.4
71.04958	0.5
71.08620	6.9
77.03905	0.6
79.05485	1.9
80.04977	0.4
81.03414	0.6
81.06587	0.6
81.07040	6.7
82.06565	1.3
83.04951	0.7
83.08601	1.6
84.04458	0.5
84.08124	5.4
85.10173	3.4
86.09692	15.3
91.05447	1.5
92.02628	0.9
93.07014	2.2
94.06548	0.6
95.04948	3.1
95.08594	6.5
96.08102	0.4
97.06526	0.5
97.10164	0.6
105.04494	0.5
105.06996	1.5
107.08566	0.9
109.02885	0.5
109.06463	0.5
109.10133	1.6
111.04417	1.7
112.11223	23.4
113.10745	0.8
113.11443	0.4
119.08578	0.5
121.10081	0.9
122.06034	0.4
125.05949	2.9
125.09618	0.4
133.10075	0.9
135.04391	100.0
135.11684	0.5
136.04710	4.1
140.10692	0.8
141.10187	3.2
142.04927	0.5
145.10104	0.4
146.07230	2.3
150.06757	0.4
151.11102	0.6
153.05460	1.1
155.14281	2.1
157.12029	0.5
157.13342	13.7
161.09589	41.1
162.09909	2.9
168.06654	0.4
181.12215	0.5
191.10684	1.0
198.18517	5.0
209.11707	6.7
210.11969	0.4
210.18498	0.9
235.16788	0.4
237.11206	5.7
248.23792	1.5
255.12283	1.5
264.77927	0.4
265.21652	0.5
266.24756	37.0
267.25101	2.0
275.20026	0.9
279.53256	0.4
290.25616	0.4
293.17682	0.8
293.21173	1.5
294.21008	0.7
294.24179	4.9
311.09506	0.4
311.12915	0.8
311.16226	3.5
311.26892	24.1
312.16241	0.7
312.21783	2.0
312.27191	1.2
312.32584	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2575
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03942	0.7
55.01860	2.3
55.05502	42.2
57.03428	17.8
57.07066	26.5
58.07391	0.7
59.15550	0.7
61.35387	0.8
67.05496	8.4
67.32908	0.6
69.07058	46.9
70.07390	1.0
71.04969	0.7
71.08615	17.0
71.24776	1.5
71.25127	1.1
72.08967	1.9
74.60477	0.7
79.05476	5.0
81.07043	13.8
82.07372	0.8
83.04974	1.9
83.08601	44.4
84.08944	0.9
85.02908	1.3
85.06570	0.9
85.10160	8.8
86.10510	1.4
91.05458	1.5
91.36387	0.7
93.07033	7.2
95.04953	1.1
95.08582	12.0
95.85268	0.6
97.06538	4.8
97.10151	28.9
100.04004	1.0
101.05988	0.7
105.06992	1.1
107.08568	4.6
109.10159	3.5
111.04439	2.1
111.08080	2.2
111.11702	8.7
121.10110	5.8
123.11701	2.0
125.06030	1.3
125.09619	1.6
125.13268	1.4
129.54802	0.7
133.10135	0.7
135.04390	4.2
135.11658	4.0
137.09528	1.0
137.13248	1.7
137.46356	0.7
139.11176	0.9
145.10120	1.0
149.13246	2.7
153.05469	2.4
153.12718	1.0
155.14337	2.5
156.10155	4.4
156.14708	2.4
157.10626	3.9
161.09641	1.9
177.10799	0.7
181.12212	1.2
191.10664	1.3
193.04881	0.7
198.10915	0.8
209.11693	11.7
209.13458	1.0
209.17229	1.1
210.12010	0.8
219.21089	1.5
237.11172	9.6
237.22182	1.6
239.16301	0.8
253.18080	1.7
255.12378	2.7
279.10220	0.8
293.17633	1.2
293.21060	1.1
311.25885	100.0
312.26111	7.2
312.32507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2573
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03925	0.9
54.68879	0.4
55.01857	1.1
55.05500	37.0
57.03150	0.8
57.03426	17.6
57.07064	20.3
67.05492	6.4
69.07054	43.1
69.63795	4.1
70.02938	0.5
70.07383	0.6
71.04959	0.9
71.08234	0.8
71.08617	13.0
73.02892	1.0
79.05477	3.6
81.07046	9.7
83.04952	1.5
83.08601	36.4
84.08113	1.7
84.08942	1.1
85.10162	6.6
90.02538	0.4
91.05450	1.0
93.07031	4.5
95.08593	7.0
97.06522	4.4
97.10149	26.3
98.10466	0.7
99.08108	0.5
107.08575	3.8
109.10136	2.7
111.08077	1.9
111.11700	7.9
112.11227	1.4
121.10136	4.9
123.11682	1.3
125.09586	1.5
125.13249	1.9
135.11653	3.6
137.13234	0.7
139.11169	1.0
139.14772	0.4
146.76520	0.5
149.13272	2.2
153.12708	1.0
155.14270	0.7
158.11696	0.5
163.14786	1.2
167.14369	0.6
177.16368	0.7
182.99031	0.4
209.11668	1.6
219.20839	1.0
237.11176	1.5
237.22156	1.1
248.23729	0.5
251.20076	0.6
266.24734	7.0
311.25757	100.0
312.25427	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	311.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01859	3.8
55.05505	28.6
57.03418	6.4
57.07051	15.2
67.05497	41.2
69.03392	3.5
69.07055	62.1
71.03481	3.8
71.03836	7.9
76.33014	2.9
79.05486	23.9
81.03413	5.6
81.07045	46.4
82.79190	3.6
83.08597	14.3
91.05461	49.2
93.07021	100.0
95.04947	69.8
95.08588	98.2
97.06515	29.0
97.10139	9.3
98.21416	3.9
105.07011	75.0
107.08568	45.6
109.06505	17.7
109.10142	35.6
115.05432	4.3
117.06990	14.9
119.08563	74.1
121.06461	19.4
121.10124	54.7
123.08048	22.8
123.11693	13.5
123.63737	3.5
128.06183	4.7
129.07007	8.3
130.07790	5.2
131.08569	23.5
133.10100	35.2
135.04404	9.1
135.08003	13.1
135.11649	16.6
137.09581	5.3
137.13165	3.8
142.07713	8.5
142.37151	3.4
143.08546	13.0
145.10089	39.5
147.11667	19.8
149.09560	6.7
149.13338	4.3
156.09395	4.4
157.10097	31.0
159.07996	4.5
159.11668	48.1
161.09560	9.8
161.13216	12.5
169.10121	6.7
170.10980	3.7
171.11679	13.3
173.13249	14.7
175.14806	11.9
177.16316	20.8
183.11839	5.9
185.13226	6.0
187.11201	5.9
187.14862	7.6
189.16399	16.7
197.13141	7.7
199.14861	6.2
201.16350	6.9
203.17963	6.1
209.11682	13.7
211.14758	4.2
213.16304	4.6
215.17953	13.5
219.17346	7.0
223.14850	6.7
227.17955	5.7
237.11226	11.1
237.16374	3.9
241.19504	3.3
255.21217	5.2
287.79016	3.6
293.22629	5.7
311.23386	32.7
311.31390	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.30035	1.6
53.03942	3.1
55.01853	2.1
55.05504	8.0
55.16999	1.6
57.03419	8.8
57.07063	58.3
58.07395	1.9
61.93002	1.4
64.12757	1.7
67.05495	20.5
67.73544	1.8
69.07054	24.4
71.04981	1.7
71.08614	66.1
71.78889	2.8
79.05470	9.4
81.06594	2.6
81.07043	39.7
83.04954	4.4
83.08595	5.2
84.08127	10.5
85.02898	2.2
85.06502	2.7
85.10173	31.2
86.09695	25.3
91.05457	7.8
93.07035	11.1
95.04948	7.0
95.08588	50.5
97.06516	6.0
97.10155	2.6
99.08078	1.7
105.07008	4.3
107.04942	3.2
107.08574	6.1
109.02854	1.6
109.06491	5.3
109.10144	5.3
111.04425	7.4
111.08044	6.9
111.98399	1.5
112.11216	46.7
117.06990	2.7
119.08590	1.8
121.06492	3.0
121.10120	4.8
123.04412	3.2
123.08058	7.1
125.05943	2.3
131.08575	4.9
135.04401	23.9
135.11676	2.9
137.05882	2.4
137.13232	6.9
139.07507	9.8
141.10226	5.3
149.09618	3.4
151.07567	2.5
153.05469	6.9
155.14281	54.1
156.14624	3.0
157.10234	2.1
157.13348	27.0
159.08052	2.3
159.11687	2.0
161.09608	10.3
163.11171	2.1
177.09056	3.3
181.04893	1.9
181.12274	3.6
187.11212	2.0
191.10616	4.5
198.18517	12.1
209.11682	39.3
219.08084	1.9
221.19017	4.2
223.20531	6.5
232.54578	1.7
237.11192	32.1
237.18472	4.7
247.20259	2.2
248.23717	2.1
255.12325	9.6
257.18958	4.1
265.21603	45.9
266.22141	2.8
266.24741	75.0
267.25116	1.9
275.20065	6.3
279.10056	2.3
293.17789	5.0
293.21051	100.0
294.21265	6.0
294.24292	10.2
295.06055	2.2
311.18857	2.2
311.23523	3.7
311.26904	52.5
311.30521	2.9
312.12268	1.9
312.25354	2.9
312.32556	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	311.1271
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03941	0.9
53.86811	0.7
55.01863	1.1
55.05511	0.8
57.07080	1.0
67.05505	2.0
69.03420	1.2
69.07059	1.7
70.06567	1.0
71.55743	0.6
71.81805	1.0
76.71553	0.7
79.05482	4.0
80.14085	0.6
81.03416	0.9
81.07041	4.4
83.08603	1.6
91.05473	5.6
91.52525	0.6
93.07032	2.7
93.11478	0.7
94.04159	3.6
95.04957	1.8
95.08600	1.4
98.97529	0.8
103.05467	1.8
105.03391	1.3
105.07018	10.0
107.04939	2.6
109.02855	1.0
109.06508	5.0
109.10145	2.6
113.00591	2.6
115.05456	2.7
119.04918	1.0
119.08539	1.2
121.06487	2.2
121.10114	2.2
122.03628	10.0
123.11639	1.0
127.03890	0.7
127.05448	0.9
128.06195	1.7
128.65796	0.8
129.06996	5.8
131.04912	3.0
131.08542	2.4
133.02821	4.3
133.06456	7.2
133.10103	0.8
135.04330	1.1
135.08054	0.9
137.05956	100.0
138.06285	2.9
139.11217	0.7
144.05670	2.9
145.06441	1.6
147.04367	0.9
147.07941	0.9
149.05966	6.3
149.09593	1.5
153.06828	0.8
155.04907	8.0
156.05707	1.1
159.08041	7.4
161.04672	1.3
161.05962	16.5
162.06345	0.9
165.05640	1.0
165.06970	3.1
166.07811	1.0
167.07104	0.9
169.06471	0.8
171.04437	1.2
172.05133	2.5
175.07466	3.6
178.07832	0.9
179.08478	1.5
180.09256	2.0
181.06413	1.2
183.04782	3.5
187.07506	29.9
188.07874	1.4
189.06938	5.9
189.08788	1.3
190.07753	22.3
191.08522	48.5
192.08884	1.7
194.07190	1.0
195.07999	1.3
201.06799	0.8
202.07622	2.3
203.08496	1.9
205.06447	2.9
207.07976	6.0
208.08783	7.3
209.09409	1.8
211.07574	0.8
214.46747	0.9
217.06425	1.9
218.07233	15.2
219.08014	67.5
220.08644	8.3
221.05901	1.9
221.09508	1.0
223.11079	1.4
225.08998	1.6
232.08688	1.6
233.05913	1.8
233.09512	2.5
235.07495	7.3
236.08281	14.1
237.09068	3.9
239.10823	2.3
246.06583	2.3
247.07478	25.3
247.09512	1.0
248.08131	6.9
249.05286	0.9
249.08911	2.2
251.10643	86.7
252.08078	1.6
252.10846	8.2
253.08583	5.9
255.09892	1.0
260.10583	0.8
261.08804	3.0
261.11325	5.7
262.11624	2.9
263.06891	1.8
263.10590	3.0
264.07669	7.9
264.10846	2.7
265.08597	5.9
266.08154	5.0
267.10025	3.4
267.15100	0.8
268.10849	1.9
275.20090	1.0
278.09137	1.1
279.10120	73.6
280.10706	9.3
281.07993	8.3
283.09772	1.1
283.13196	2.4
284.09039	2.4
284.12680	2.0
293.13510	3.4
293.21036	1.4
294.14737	2.3
295.09601	1.3
296.07309	0.7
296.10422	9.5
309.11212	1.3
311.12595	84.2
312.12607	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	311.1273
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
50.19447	0.2
54.53976	0.2
55.01847	0.6
69.03401	0.2
69.07051	0.2
71.78661	0.4
71.88516	0.2
74.71456	0.2
79.05473	0.4
80.03674	0.2
80.82819	0.2
81.03397	0.2
85.02883	0.5
91.05457	0.2
93.07056	0.2
95.10686	0.2
105.03327	0.3
121.10108	0.3
124.86133	0.2
129.36005	0.2
133.10123	0.2
140.91911	0.3
141.52643	0.2
149.09538	0.3
154.07712	0.2
159.79668	0.2
165.06937	1.9
166.07802	0.3
167.07123	0.2
167.08516	0.7
169.10178	0.2
174.06647	0.3
176.06131	0.3
177.06993	0.5
178.07759	0.9
179.08546	1.6
181.06462	0.7
181.10062	0.6
182.07263	0.7
183.07947	0.6
189.07014	0.8
190.07733	0.8
191.08528	3.1
192.09193	0.3
193.06418	1.2
193.10088	0.5
194.07225	2.3
195.07959	1.3
196.08789	0.2
197.09602	1.3
203.08578	0.3
204.05650	0.4
205.06430	2.9
205.09776	0.2
206.07182	1.6
207.08011	3.8
208.08829	1.8
209.02359	0.2
209.05937	0.5
209.09607	2.4
210.06718	3.4
211.07555	1.2
217.06503	0.6
218.07179	0.7
219.08029	3.4
220.05228	0.4
220.08749	1.7
221.05936	3.5
221.09406	1.0
222.06721	4.1
223.07509	1.8
223.11084	0.5
224.04611	0.5
224.08292	2.2
225.09055	7.6
226.09399	0.4
233.05928	3.6
233.09531	0.3
234.06648	1.5
235.07469	4.5
236.04637	0.4
236.08244	5.2
237.09062	43.2
238.06218	2.2
238.09419	2.9
239.06998	0.9
239.10619	1.0
240.07840	0.3
247.07500	2.4
248.08287	1.5
249.05476	3.1
249.09081	3.2
250.06151	1.5
250.09811	0.7
251.06953	0.9
251.10623	4.0
252.07722	0.9
252.10707	0.2
253.08553	17.0
254.09085	1.1
255.10172	0.4
263.06979	4.0
263.10016	0.3
263.10928	0.3
264.07742	3.5
265.08554	68.2
266.05713	1.4
266.08945	4.1
267.06485	2.3
267.10129	4.4
268.07217	0.5
268.10803	1.1
277.08508	0.3
278.09375	0.4
279.10095	6.5
280.10892	100.0
281.08090	52.1
281.11240	7.3
282.08591	6.2
283.09479	0.9
284.12772	1.0
295.09625	0.9
296.10382	64.8
297.10727	3.7
311.12717	77.7
312.08646	0.5
312.12839	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	311.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01853	5.0
57.03420	9.1
61.02905	4.3
67.05472	3.1
68.99751	1.2
69.03419	25.7
69.07051	5.3
70.06575	3.2
70.73077	4.8
71.01354	2.7
71.04970	4.8
71.75483	1.2
73.02895	6.3
79.05473	4.1
81.03390	8.5
81.07043	1.3
83.04971	1.7
84.04486	3.5
84.08113	1.5
85.02891	20.2
86.09666	1.5
87.04430	1.6
91.05457	5.5
93.07045	2.1
95.04945	3.1
95.08586	3.5
97.02876	28.0
99.04422	3.3
101.02357	2.5
103.03902	5.0
103.05428	5.5
107.04907	4.7
109.02862	2.2
111.04413	4.2
113.09621	3.6
114.06277	1.8
115.03925	8.6
115.05419	3.9
115.07530	3.4
117.06972	2.5
118.06533	1.6
119.04928	10.0
120.08113	1.8
121.06473	4.0
122.03603	5.2
123.04408	4.6
123.08096	1.2
127.03897	17.1
129.05443	1.6
130.04962	1.8
131.04915	13.3
131.06995	3.8
131.10655	1.9
132.07333	2.7
133.02878	1.3
133.05069	1.3
133.06703	1.5
133.07582	8.5
133.08527	2.3
135.04381	5.0
136.07573	4.3
137.05954	70.6
138.05408	1.7
138.06331	2.2
140.06964	1.5
141.06947	4.8
143.04918	3.1
145.04904	3.0
145.06459	5.0
147.04367	16.4
148.05107	2.0
148.06316	3.4
149.05978	22.0
149.07101	3.4
151.03859	6.0
151.07507	5.8
155.04784	2.4
157.06441	1.8
159.04352	6.4
160.05156	3.9
161.06015	5.7
161.07085	100.0
162.03081	3.6
162.07515	4.4
163.03867	2.5
163.07533	10.0
164.04634	2.7
165.05466	4.9
167.06984	6.6
169.06418	8.1
173.07123	2.0
174.07941	3.2
175.03932	2.0
175.07372	10.2
175.08691	4.7
176.04626	3.4
177.05443	36.3
177.09015	2.0
178.05975	1.5
179.07024	12.6
182.08035	2.2
183.04303	1.8
183.09283	2.0
187.07445	6.8
189.06696	1.4
190.06215	2.4
191.06877	25.5
196.65800	1.7
197.05923	5.1
201.05356	2.8
201.10466	9.6
202.10376	1.7
203.06841	10.8
205.08421	2.4
207.06424	1.6
209.11728	2.7
211.08838	1.5
213.05565	2.0
215.06972	9.2
217.08536	3.1
218.05580	1.4
221.08162	3.6
223.04185	4.5
224.07430	1.7
225.05547	1.4
227.08115	1.9
229.08301	13.1
233.07980	8.0
237.05348	1.7
239.08141	2.6
245.09233	17.8
251.06818	1.8
252.07787	2.2
257.09262	32.7
258.09244	1.7
275.10263	15.9
293.11353	26.1
311.08978	5.9
311.12238	16.8
311.16125	2.4
311.19623	1.5
312.08801	1.5
312.12317	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.9
62.30838	0.5
67.05473	0.6
69.03389	1.2
70.93418	1.7
79.05449	1.2
80.87238	0.5
81.07021	1.0
84.96857	0.5
85.02877	0.6
91.05466	1.4
93.07008	1.4
95.04904	0.9
95.08547	0.8
105.03403	3.2
105.06982	1.2
107.04938	3.1
107.08500	0.5
109.02812	0.8
111.36837	0.5
115.05432	0.7
116.06192	0.6
121.10113	1.6
125.03815	1.0
130.06471	1.1
133.02771	1.1
133.10117	0.8
135.08000	0.5
137.05960	1.2
139.05388	1.2
140.06152	2.3
144.05659	0.8
145.80106	0.6
149.05930	0.8
149.09573	2.1
152.06201	0.8
153.03314	11.1
153.06857	0.9
154.03745	0.7
157.02863	1.3
158.05969	1.6
165.06984	2.5
166.04033	0.9
167.08487	1.1
168.05676	6.2
178.03999	0.6
178.07611	0.6
179.08495	2.2
181.02815	9.0
181.06477	1.3
183.04379	1.0
185.02315	0.8
189.06937	1.5
190.07716	1.1
191.08519	3.2
193.06459	1.7
194.07278	2.7
195.04317	1.5
195.08102	1.3
196.05145	4.3
197.09541	1.5
204.06143	0.6
205.06525	2.9
206.07256	1.4
207.08023	4.8
208.08771	2.7
209.02296	93.0
209.09601	2.7
210.02673	5.3
210.06737	2.0
211.03871	0.8
211.07507	1.6
212.04625	1.0
217.06577	0.8
218.07156	0.7
219.08032	4.2
220.08801	1.4
221.06006	4.0
222.06706	3.5
223.03912	1.0
223.07585	2.7
223.11006	0.8
224.04636	100.0
224.08249	3.9
225.05002	6.3
225.09062	6.8
228.04120	3.1
233.05954	3.5
235.07483	4.3
236.08313	5.1
237.09064	38.8
238.06194	2.3
238.09525	1.3
239.06982	64.7
240.07431	3.9
247.07491	1.8
248.08241	1.6
249.05435	2.4
249.09093	3.0
249.97130	0.6
250.06209	1.7
251.06879	1.2
251.10701	3.6
252.07643	1.6
252.29828	0.6
253.08556	17.1
253.11220	0.9
254.08861	0.8
255.10101	1.2
256.03619	4.3
263.06973	4.6
264.07742	3.6
265.08551	67.3
266.05789	0.9
266.08786	2.2
267.06482	84.7
267.09937	6.2
268.06772	5.7
268.10892	1.3
279.10083	5.7
280.10889	93.3
281.08054	52.8
281.11224	3.5
282.08728	3.8
283.09509	0.8
284.09586	0.9
284.12778	2.0
285.07520	72.7
286.07889	4.7
295.09644	1.3
296.03333	1.5
296.10373	61.4
297.10736	1.5
311.05432	52.5
311.12723	77.1
312.05704	2.8
312.08856	0.7
312.12326	9.0
329.06638	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3098
Annotation	Oleoyl Ethyl Amide
Peak:m/z	Relative Intensity
52.28940	0.1
55.05499	0.8
55.88028	0.1
56.05033	1.1
57.03439	0.2
57.06792	0.3
57.07065	5.5
58.06579	0.5
67.05482	1.3
68.05006	0.3
69.07056	1.3
69.27547	0.1
70.06569	0.6
70.45803	0.6
71.08234	0.2
71.08616	3.2
72.04511	0.1
72.08141	1.0
74.09711	1.0
77.34817	0.2
79.05468	0.4
81.07040	1.8
82.06564	1.3
82.08637	0.1
83.08589	0.7
84.08134	0.3
85.10164	2.0
86.09663	0.4
93.07014	0.2
95.08597	2.4
97.10139	0.2
98.06016	0.2
98.09673	0.2
100.07544	0.2
100.11235	5.4
104.04624	0.1
107.08481	0.2
108.08051	0.1
109.10132	0.4
110.09681	0.4
112.07581	0.4
112.11224	2.2
114.12781	1.0
126.09159	0.4
126.12793	0.2
128.10780	0.2
133.96561	0.1
135.04367	0.4
136.11194	0.1
138.12744	0.6
154.12233	0.8
155.14297	0.4
156.13820	0.2
156.17458	4.5
161.09561	0.4
170.15482	0.2
180.17537	0.2
198.18500	2.5
209.11697	0.7
236.23761	0.8
237.11156	0.5
238.25227	3.2
254.24734	7.8
255.25153	0.2
257.20309	0.2
310.30978	100.0
311.31296	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.237
Annotation	Melophlin M
Peak:m/z	Relative Intensity
55.01602	0.4
55.05500	1.8
56.05027	0.5
57.03434	0.5
57.06793	0.6
57.07066	12.5
59.87664	0.3
60.35780	0.3
65.59823	0.3
67.05499	3.0
68.05008	0.5
69.03419	0.7
69.07059	1.7
69.54366	2.4
69.54793	0.8
70.06582	9.1
71.08627	4.6
71.94069	0.3
73.28373	0.3
79.05479	1.7
80.04994	0.7
81.07045	3.7
82.06548	0.5
82.07388	0.3
83.04929	0.4
83.08588	0.9
85.10181	4.1
86.05583	0.3
86.06057	0.5
91.05450	0.7
93.07027	1.3
94.06564	0.6
95.04943	1.2
95.08585	5.6
96.07494	0.5
96.08117	8.2
97.06544	0.5
98.06033	0.8
101.06023	0.3
101.37434	0.3
105.06999	0.7
106.06545	3.5
107.08525	0.6
109.06425	0.3
109.10123	1.7
111.04383	0.4
114.05491	0.8
114.09148	2.9
117.07066	0.4
119.08551	0.6
119.26681	0.3
120.08077	1.1
120.08884	0.4
121.10103	0.6
122.79539	0.3
123.08048	0.4
124.07567	3.7
126.05515	0.3
133.10176	0.4
134.09622	0.4
137.05988	0.4
138.09148	1.1
140.06998	0.6
142.08615	35.5
145.10083	0.3
153.05469	0.7
164.15311	0.4
169.15831	0.6
178.63965	0.3
180.10158	0.8
191.10661	0.5
209.11662	3.3
237.11108	2.2
246.22180	2.6
253.09943	0.4
255.12376	0.7
264.23178	24.1
265.23441	0.9
283.31488	0.3
292.22681	0.6
310.23712	100.0
311.24026	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	310.2371
Annotation	Melophlin M
Peak:m/z	Relative Intensity
55.05492	1.3
57.07066	10.6
59.04984	1.2
67.05492	3.6
67.70715	0.4
68.05021	0.5
69.07046	2.5
70.06579	17.0
70.51332	1.5
71.08617	12.9
79.05473	1.4
80.04974	0.6
81.06593	0.5
81.07040	6.4
82.06575	0.5
83.04954	0.4
83.08589	0.5
85.06493	0.4
85.10165	6.6
93.07021	0.6
95.04974	0.4
95.08584	7.6
96.08112	12.3
98.06045	0.4
105.07024	0.5
106.06543	2.9
108.08070	0.3
110.06027	0.6
120.08057	0.6
124.07582	1.6
125.18861	0.3
128.10689	1.7
135.04390	0.6
138.09065	0.9
140.07130	0.4
151.15463	0.4
153.05405	0.3
154.08621	1.0
155.14282	1.6
156.10172	61.4
157.10565	1.1
183.55682	0.3
209.11684	1.8
226.21599	0.4
232.20561	1.6
237.11224	1.1
250.21620	20.4
251.21887	0.9
292.22705	0.5
293.21103	0.6
310.23706	100.0
311.23996	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	310.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
55.01871	0.8
55.05504	9.8
56.05038	0.6
57.05803	0.8
57.07072	1.2
67.05492	4.7
69.07058	2.4
70.06583	0.6
71.79111	0.5
72.08141	100.0
73.08478	1.2
79.05480	4.7
81.07045	10.4
83.04969	4.8
91.05470	11.2
91.47145	0.5
93.07027	13.6
95.04944	3.3
95.08577	3.5
97.06520	1.0
98.06057	0.7
103.90249	0.5
105.07011	17.1
106.07355	0.7
107.04949	0.6
107.08581	4.3
109.06496	11.0
109.10126	1.5
111.08056	3.9
113.06021	0.6
114.09151	5.7
114.20024	0.5
117.06987	0.8
118.08635	37.9
119.08545	6.3
121.06462	0.8
121.10120	1.8
123.08047	1.2
123.11711	1.1
129.06973	0.9
131.08563	5.1
131.09447	0.8
133.06444	1.5
133.10106	22.7
134.10445	0.8
137.05933	1.7
142.07645	0.7
142.08626	2.3
147.07915	0.7
147.11655	18.2
148.12006	0.6
149.09639	1.7
149.13248	0.7
150.10074	0.6
151.07581	3.9
151.11157	53.4
152.11510	2.1
152.92514	0.6
157.10143	0.7
160.09669	0.9
165.12750	3.1
167.06992	0.7
175.11174	5.8
191.08806	0.6
193.12161	3.7
246.18475	6.6
249.07642	0.7
251.10452	0.7
264.19559	28.2
265.19839	1.2
266.08200	1.3
279.10080	0.8
292.19046	8.4
294.07526	2.5
295.07895	0.9
310.07001	0.8
310.10297	7.5
310.20065	29.3
311.20276	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2009
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
55.01844	1.8
55.05503	2.5
57.07069	30.1
67.05497	9.0
69.07050	5.2
69.83213	7.4
70.04070	2.3
71.08625	27.9
72.48125	1.1
76.19826	1.1
79.05468	2.7
81.07046	17.8
82.06577	13.3
83.04975	1.8
83.08613	1.6
84.04497	52.3
84.08164	1.7
85.02879	1.2
85.10180	12.9
91.05479	2.7
93.07014	2.7
95.08596	22.7
97.10188	1.6
98.20647	1.3
105.07029	2.9
107.08586	2.5
109.02830	1.5
110.06030	7.7
111.04395	2.8
120.08118	2.0
120.97082	1.1
121.10107	1.4
125.06001	1.9
128.07076	11.3
130.50302	1.2
137.13263	2.3
138.09116	3.9
148.07455	1.3
153.05463	2.9
155.14281	8.1
156.06540	100.0
157.06886	2.6
191.10689	1.6
209.11662	15.3
209.13234	1.4
236.20062	1.6
237.11191	14.0
255.12263	4.8
264.19592	4.5
265.08716	1.5
265.17883	1.7
272.20367	1.3
275.20044	1.5
279.09949	2.0
292.26389	3.6
293.17450	1.5
310.07300	1.5
310.20117	46.8
310.23624	2.2
310.27646	2.3
310.30746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1433
Annotation	Fenfangjine F
Peak:m/z	Relative Intensity
53.03935	1.2
53.74722	1.0
55.01849	1.1
55.05491	2.0
57.17136	1.0
58.06580	4.2
60.57225	1.0
67.05482	2.4
69.03416	2.5
69.07040	1.8
70.76346	4.7
72.04510	1.2
79.05477	1.9
81.03410	2.3
81.07040	3.3
82.07358	1.5
83.04951	1.3
83.08614	1.3
85.02904	2.2
85.06520	1.7
91.05460	4.5
93.07037	2.0
95.04937	1.3
95.08600	3.1
105.07013	3.8
107.04940	1.4
107.08577	1.6
109.02863	3.0
113.00587	1.9
113.06050	1.3
119.04911	2.3
120.05243	2.4
121.02843	1.4
122.03616	2.0
122.06018	1.8
133.02855	2.2
133.06474	2.9
137.05956	24.4
141.45477	1.1
147.04366	11.5
148.04709	12.0
149.05965	2.7
153.11700	1.0
155.04881	1.2
159.08086	2.4
161.05972	2.8
164.07086	1.8
165.06963	2.5
178.07698	1.7
183.04715	4.7
187.07504	8.5
189.07011	2.0
190.07742	6.6
191.06996	1.8
191.08554	12.8
191.13058	1.2
195.08058	1.4
197.63353	1.2
202.07770	2.2
203.08508	2.1
205.06462	3.0
207.08113	7.4
208.08850	9.8
211.06223	2.1
215.08417	1.5
217.06642	2.0
217.08836	4.1
218.07216	4.5
218.09581	6.4
219.08044	21.6
220.08920	2.1
230.09497	3.4
231.08043	5.5
232.08821	6.1
232.10814	1.6
233.05998	7.2
233.09506	2.4
234.08820	2.0
235.07703	6.1
236.08391	6.4
239.10838	3.7
243.07974	1.4
245.08307	11.1
246.06769	2.1
246.09093	13.5
247.07567	6.7
248.08395	8.7
248.10757	2.0
249.07684	1.6
250.10107	1.5
251.10669	54.0
252.10788	1.5
253.08521	1.9
254.08136	1.8
259.07486	2.2
260.10675	91.0
261.08691	1.9
261.11423	46.2
262.08801	4.2
262.12079	2.0
263.10654	31.8
264.06613	1.5
264.10632	2.4
265.08771	1.5
265.12228	2.8
266.08093	2.6
267.05124	1.8
275.10648	9.9
276.10202	9.0
277.07590	1.8
277.10675	2.6
278.08133	1.8
279.10132	19.7
280.10916	5.1
281.08017	3.9
281.11411	1.1
282.07559	5.1
282.10626	5.8
282.18741	1.2
292.09747	2.0
292.13251	28.6
293.13687	1.6
294.07541	2.1
295.04727	4.1
295.08258	1.6
296.10367	2.0
310.06973	13.2
310.10611	21.8
310.14322	100.0
311.05457	1.6
311.12518	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1431
Annotation	CJ 15696
Peak:m/z	Relative Intensity
69.68930	4.4
69.69347	13.4
72.04484	3.6
86.81318	2.1
98.20753	4.0
112.88255	1.9
114.95484	2.0
152.40642	1.8
218.09592	50.1
219.10023	3.5
231.10503	2.6
234.09079	2.9
246.09105	64.8
247.09616	3.7
248.08318	5.3
253.12126	2.8
261.11441	100.0
261.14252	4.8
262.08749	4.3
262.11819	5.0
264.07648	2.2
276.10150	4.7
277.11020	2.8
279.10144	3.2
292.13284	19.3
310.14334	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14327	1.1
66.25098	1.0
66.34041	1.3
66.39431	1.0
71.78059	1.9
86.18147	1.1
93.06992	1.2
101.00871	3.8
102.94379	1.1
119.01907	29.5
120.02018	2.7
121.01674	4.6
134.99870	3.1
137.02925	15.2
138.03058	1.3
142.03496	1.6
153.00934	2.6
160.99547	1.3
168.65662	1.2
176.00165	3.4
177.00922	39.2
178.00990	4.4
179.00623	6.4
180.00771	7.7
200.02757	1.3
218.01181	29.4
218.03343	2.0
219.01971	35.4
219.03851	1.5
220.02026	3.5
220.04073	1.5
220.06973	1.0
221.01746	9.5
222.01865	16.9
223.01523	1.9
225.59523	1.1
227.98503	2.6
228.00832	2.3
233.03581	4.7
245.01671	2.5
245.99437	4.2
246.01933	4.7
250.00201	5.1
261.02966	3.2
262.03302	1.9
263.02814	26.8
264.00464	100.0
264.03067	90.8
265.00256	5.6
265.02905	4.2
282.01508	40.3
283.01697	2.4
286.04333	2.6
287.01996	23.4
287.04767	5.1
305.03036	3.6
310.03555	1.8
310.06650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0705
Annotation	Triangularine A
Peak:m/z	Relative Intensity
55.01791	0.4
68.05764	0.3
69.06973	1.2
69.61309	3.1
72.74923	0.3
79.05412	0.5
81.06956	1.2
82.07301	0.5
83.08536	0.5
83.73714	0.3
91.05424	0.5
93.06969	0.5
95.08574	1.6
96.08857	0.4
98.20676	0.6
105.06933	0.4
107.08521	0.4
109.10086	0.3
111.07998	0.5
115.05376	0.4
119.04940	0.3
121.10042	0.6
121.52286	0.3
123.11647	0.8
133.02730	1.2
137.02264	0.4
137.05904	1.1
137.13159	0.4
142.06454	0.6
143.07231	1.5
147.04347	1.1
148.04752	1.8
155.07272	0.7
160.07518	0.4
161.05959	0.5
166.06444	0.4
167.07257	0.5
168.04356	1.1
168.08115	0.3
170.04730	0.4
170.05994	6.5
171.06374	0.3
175.04861	0.3
175.06253	4.1
180.07922	0.9
181.06413	0.4
183.06750	2.9
184.07556	0.6
191.08527	0.5
194.05919	1.0
196.07568	0.5
197.04639	0.9
198.05435	2.0
198.09068	0.9
208.07489	0.9
211.06255	15.9
212.06833	0.9
222.05411	1.1
224.06946	1.8
225.07716	0.8
226.08575	7.9
227.08922	0.6
236.07018	0.9
238.04950	1.3
239.05710	2.7
240.06490	3.1
249.04158	0.4
250.04846	0.7
251.10532	1.0
252.06560	1.0
253.07115	1.5
254.04480	2.0
254.08087	22.8
255.08472	0.8
260.10657	2.0
261.11356	0.5
263.10675	0.7
264.06546	1.7
264.09744	0.4
265.07309	0.9
266.04453	1.4
266.07742	0.4
267.05298	1.5
267.10245	2.1
270.07556	0.5
277.23611	0.4
279.09967	0.9
281.06784	6.4
282.07559	100.0
283.07886	5.9
284.54834	0.4
292.13208	0.6
295.08438	0.5
310.07065	40.6
310.10571	2.5
310.14465	1.7
310.28082	0.6
311.07892	2.6
311.12622	0.4
329.70459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2418
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03925	3.9
55.01857	3.6
55.05503	16.4
57.03414	8.2
57.07058	4.8
59.04963	1.7
60.71161	1.6
61.53298	1.7
63.51067	1.6
63.87687	1.7
65.03924	2.0
67.05496	42.3
69.03392	2.7
69.07053	18.2
70.74058	6.8
71.04975	3.9
71.08617	50.4
79.05484	36.8
81.03409	8.7
81.07039	53.9
83.04971	13.8
83.08597	10.3
85.06512	4.4
91.05470	26.2
93.07027	56.2
95.04949	13.9
95.08590	43.2
97.06508	10.1
97.10137	6.9
99.08075	39.2
105.06998	14.4
105.54047	1.7
106.38989	1.8
107.04935	5.3
107.08575	29.5
109.06498	3.4
109.10118	12.5
109.69596	1.6
111.08068	4.1
113.09588	1.6
117.06990	5.6
119.08574	14.2
121.09259	1.9
121.10129	29.9
123.04384	2.0
123.08051	3.5
125.09599	1.8
127.11163	1.9
129.06960	2.5
131.08548	5.2
133.10120	10.6
135.11678	33.3
137.09575	5.8
141.09056	4.2
145.10133	7.8
147.11613	5.0
149.09615	1.9
149.13254	13.2
151.11168	15.3
153.12752	3.0
157.10120	3.3
159.11703	4.5
161.13232	10.6
163.11150	6.3
163.14755	2.4
165.12704	1.9
171.11722	2.3
173.13229	3.1
175.11032	2.1
175.14806	2.5
177.12703	3.8
179.14282	100.0
185.13184	3.0
187.14722	1.9
189.12680	3.2
195.13780	2.3
235.16869	4.2
241.19453	2.4
259.20557	7.1
277.21603	65.7
291.23145	4.5
309.09253	2.4
309.24377	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	309.2206
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.49294	1.5
52.37626	1.8
53.03913	6.2
54.37226	1.7
55.01857	4.4
55.05505	20.1
57.03423	8.5
57.07061	4.9
65.03913	2.4
67.05493	35.7
69.03388	2.3
69.07056	20.6
69.55247	17.8
70.06580	1.8
71.04974	3.9
71.08601	3.0
75.22320	1.4
79.05477	38.8
81.03394	4.0
81.07043	49.0
83.05000	2.4
83.08601	4.9
84.08130	2.0
91.05460	48.4
93.07027	85.1
94.07330	2.0
95.04951	59.4
95.08595	55.8
97.06519	23.7
103.05414	4.9
105.04565	2.5
105.07013	90.6
106.07281	1.9
107.04927	4.4
107.07893	3.2
107.08576	49.3
109.06501	16.0
109.10144	26.5
115.05438	4.2
117.07011	19.2
119.08559	77.8
121.06491	15.9
121.10122	100.0
122.10444	3.2
123.08059	13.7
123.11686	8.9
128.06161	10.2
129.06985	16.8
130.07770	9.4
131.08543	44.8
133.06477	5.1
133.10117	43.4
135.08014	8.1
135.11655	14.6
137.09648	1.9
141.06946	7.6
142.07710	17.0
142.08649	5.0
143.08539	31.9
144.09296	10.6
145.06468	4.7
145.10098	54.8
147.08009	6.1
147.11678	16.8
149.09598	6.1
149.13232	3.0
154.07655	2.6
155.08522	14.5
156.09331	10.0
157.10098	40.1
158.10880	5.2
159.08005	4.2
159.11673	51.7
161.09601	10.3
161.13206	8.1
163.11090	3.8
165.06949	2.6
166.07664	2.3
167.08585	4.9
168.09268	3.6
169.10101	19.7
170.10806	5.0
171.11674	22.9
172.12448	2.0
173.09625	6.4
173.13237	20.8
175.11197	3.6
175.14737	11.5
178.07732	1.8
179.08522	5.2
181.10075	9.8
182.10941	5.7
183.11665	19.2
184.12386	3.5
185.13223	14.7
187.11134	13.8
187.14778	28.7
189.12643	5.7
189.16418	2.2
192.09503	2.1
193.10089	4.7
194.10875	3.9
195.11638	9.4
196.12433	3.0
197.13242	15.8
199.11098	2.0
199.14827	13.2
201.12706	5.0
206.10782	2.7
207.11676	5.1
209.13200	10.3
210.13919	3.2
211.11092	2.7
211.14807	9.2
213.16310	6.4
215.14186	3.9
217.15831	2.6
218.79631	2.1
220.12445	3.0
221.13181	5.3
223.14815	3.7
225.12756	3.4
225.16270	7.9
235.14749	6.0
237.16428	3.3
239.14183	3.8
239.17938	7.1
241.15849	2.1
241.19478	2.6
249.16312	3.9
252.09271	5.0
253.10046	3.8
253.15836	7.6
253.19411	2.3
264.23163	4.6
265.19559	4.2
281.09558	8.2
281.22501	9.6
291.20880	9.3
309.09485	1.8
309.22049	90.3
310.23776	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	309.2054
Annotation	Albocycline
Peak:m/z	Relative Intensity
54.93102	1.1
55.01848	1.9
55.05509	7.0
56.19569	1.1
57.03426	35.4
57.07064	15.4
59.04971	1.5
67.05489	13.2
69.07060	8.3
70.89989	3.3
71.01321	2.8
71.04971	1.3
71.08618	18.2
71.73676	1.0
72.04486	4.4
79.05450	4.4
81.03382	2.8
81.07030	19.2
83.04964	11.0
83.08579	3.7
85.06514	1.2
85.10162	7.1
86.24879	1.1
90.04897	1.1
91.05466	5.4
93.07009	3.9
95.04454	1.0
95.04958	8.3
95.08587	18.4
97.06521	1.2
97.10139	1.9
99.04449	4.9
100.03960	1.6
105.06979	5.1
106.79237	1.1
107.04930	2.5
107.08550	2.6
109.02870	6.7
109.06504	17.2
109.10117	2.6
109.37319	1.0
111.04439	11.4
113.06016	2.3
119.08531	4.4
121.06484	2.1
121.10120	2.3
123.04412	5.2
123.08008	2.6
125.02301	1.7
127.03902	1.3
127.07503	2.4
129.06985	1.5
131.08521	1.8
133.06401	1.2
133.10103	1.9
135.08034	2.5
135.11665	2.0
137.05959	18.7
137.09563	1.2
137.13235	1.2
143.08498	1.0
145.10051	2.4
147.08058	2.3
147.11653	2.4
149.05948	2.6
151.07455	1.6
155.07010	7.4
155.14285	7.4
156.10196	5.0
157.10075	1.7
173.13177	1.2
191.14268	1.8
197.15326	3.1
198.13144	1.2
207.17523	2.6
209.15334	1.6
225.18445	2.3
235.16774	6.2
249.18462	5.6
251.16327	4.0
253.15382	1.8
253.17960	24.9
254.17708	1.7
263.19971	5.0
281.21088	7.7
291.19489	43.2
292.19745	2.3
309.20526	100.0
309.29663	5.9
310.10474	1.6
310.20636	5.3
310.23969	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	309.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.5
55.01857	3.8
55.05505	13.3
57.03419	5.7
57.07051	6.4
65.03926	2.6
65.17760	1.8
66.36089	1.9
67.05494	27.6
69.07066	16.6
70.31342	3.1
70.31750	9.4
71.04975	4.7
71.08579	2.7
77.03934	2.0
77.61504	2.0
79.05479	29.5
81.03383	4.2
81.06597	3.0
81.07047	45.1
81.81982	1.5
83.04961	5.6
83.08600	5.4
85.06491	2.1
85.10192	2.0
91.05467	38.5
93.07032	81.1
94.07336	2.2
95.04951	53.2
95.08597	43.3
96.49128	1.7
97.06511	20.5
103.05450	4.9
105.07014	83.7
107.04915	3.7
107.08582	37.8
109.06499	13.8
109.10131	22.1
115.05415	6.0
117.06994	15.7
119.08563	58.5
121.06478	12.6
121.10123	100.0
123.08059	14.4
123.11691	7.2
127.88012	2.0
128.06203	8.1
129.07005	14.6
130.07738	5.1
131.08549	40.0
133.06520	4.6
133.10115	39.9
135.08011	5.9
135.11705	9.0
137.09616	2.8
141.06960	6.5
142.06824	2.2
142.07771	13.6
143.08548	28.0
144.09361	9.4
145.10101	52.5
147.07990	3.5
147.11662	13.9
149.09595	4.0
149.13342	2.6
153.06943	2.2
155.08548	7.6
156.09337	12.3
157.10103	35.5
158.10820	6.2
159.08046	4.9
159.11679	43.2
161.09595	11.1
161.13245	8.9
167.08536	2.6
168.09312	3.2
169.10118	19.3
170.10870	4.3
171.11650	20.0
173.09581	3.3
173.13235	17.9
175.11172	2.1
175.14841	9.1
181.10054	6.3
182.10925	3.7
183.11644	13.8
184.12445	2.8
185.13235	13.6
187.11153	13.7
187.14807	23.8
189.12712	2.3
193.10104	4.0
194.10822	2.8
195.11623	6.9
196.12512	2.3
197.13159	12.7
199.11110	2.6
199.14754	14.5
201.12749	2.9
207.11679	4.3
208.12366	3.0
209.13251	10.0
210.14052	2.0
211.14850	6.2
213.16206	3.4
215.14290	4.0
220.12611	2.7
221.13232	3.9
223.14781	3.4
225.12863	3.4
225.16319	5.7
235.14740	7.3
239.14331	2.2
239.17859	4.5
241.15845	3.6
249.16501	3.4
253.15895	6.4
253.19482	2.1
265.19556	5.5
273.12817	2.8
281.22672	5.2
287.25391	1.9
291.20969	8.4
309.19339	2.4
309.22083	66.0
310.22516	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	308.2216
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
52.60277	0.2
53.03929	0.2
55.01852	0.6
55.05503	1.5
56.05028	0.9
57.03433	0.2
57.06787	0.2
57.07068	4.1
65.03924	0.2
67.05497	2.5
68.05012	0.6
69.07053	1.9
70.02930	0.6
70.06564	0.2
71.04997	0.2
71.08234	0.3
71.08617	4.3
71.28674	0.4
79.05492	0.9
80.05010	1.0
81.03398	0.5
81.07044	3.1
82.02917	0.3
82.06568	1.6
83.01335	0.4
83.03719	0.2
83.04498	0.2
83.04970	4.0
83.08579	0.4
84.04538	0.4
85.02903	0.2
85.10171	2.1
91.05457	0.6
93.03433	0.2
93.05777	0.3
93.07053	0.8
94.06561	1.3
95.04942	0.5
95.08589	2.3
96.04473	1.7
96.08138	0.3
97.10113	0.2
98.06049	0.2
100.03950	0.4
105.07018	0.3
106.06537	0.7
107.04936	0.2
107.08569	0.3
108.04469	1.3
108.08111	1.5
109.02854	0.5
109.05280	0.2
109.06536	0.2
109.10132	0.4
110.06020	1.4
111.04414	0.6
117.03114	0.2
118.06514	0.3
120.08080	0.5
121.10112	0.2
122.06032	0.6
124.03908	0.2
124.07595	0.2
126.05531	0.6
127.03892	0.4
132.07999	0.2
134.05899	0.2
136.07564	10.6
137.05956	0.2
137.07875	0.4
138.05501	1.0
146.08092	0.2
148.07544	0.2
150.09117	0.4
152.07065	0.4
153.12738	0.3
154.04959	0.5
154.08609	3.0
155.14247	0.2
157.28304	0.2
164.07047	1.1
176.07161	0.3
178.08636	0.2
182.08102	0.2
182.19052	0.2
192.10185	0.2
192.17453	0.4
194.19034	0.2
196.09546	0.2
198.18495	0.3
206.19057	0.7
207.19328	0.2
208.16930	1.6
208.20511	0.5
209.08217	0.2
210.18538	0.8
218.19089	0.3
220.20615	0.4
220.66354	0.2
234.18620	0.3
236.20096	0.5
245.56985	0.2
262.21609	0.6
264.06546	0.2
265.07257	0.2
267.35599	0.2
290.21118	1.9
292.05975	0.3
293.06696	0.2
308.09152	1.9
308.22156	100.0
309.09686	0.2
309.22495	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	308.2215
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.03923	0.2
55.05494	0.4
57.07057	0.7
58.02943	0.2
59.04971	0.2
66.04694	0.2
67.05495	0.8
69.07076	0.8
70.06590	0.2
71.08630	1.0
71.52301	0.3
74.03108	0.1
76.85471	0.2
79.05472	0.7
81.03388	0.5
81.07049	2.2
83.08646	0.2
85.02891	0.2
91.05465	0.7
93.07021	0.4
94.04166	1.1
95.04949	0.6
95.08589	1.0
97.02898	0.2
97.06516	0.3
99.08071	0.3
105.06982	0.2
107.04920	0.3
107.08560	0.5
109.06501	0.5
109.10149	0.2
114.09110	0.2
119.08569	0.3
122.03628	5.2
123.02471	0.2
123.04413	1.3
125.02374	0.2
128.10709	0.3
135.07982	0.2
135.11703	0.2
137.05956	100.0
137.13214	0.6
138.06281	3.1
153.12755	0.2
155.14336	0.3
165.12750	0.3
172.16940	1.3
184.16931	3.3
191.14235	0.2
202.69489	0.1
263.16388	3.3
284.59085	0.2
291.15884	0.5
291.20230	0.3
291.23004	1.2
308.09091	0.9
308.12384	0.2
308.22012	0.5
308.25830	0.9
308.29120	0.3
309.09369	0.2
309.17032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0911
Annotation	Peruvianine
Peak:m/z	Relative Intensity
51.10763	0.2
62.11387	0.2
86.93918	0.2
92.64148	0.2
97.80907	0.3
98.20679	0.7
99.59792	0.2
105.87645	0.2
137.25081	0.2
152.06110	0.2
165.07001	0.3
180.08096	0.9
181.08862	2.1
186.04889	0.3
194.22391	0.3
208.07494	1.2
209.08319	31.1
210.08710	1.3
220.07587	0.4
222.05469	0.3
224.10687	0.8
229.40375	0.3
236.07002	0.3
237.07770	2.3
238.08319	0.3
247.06203	0.3
248.07021	0.8
250.05045	0.3
251.05768	0.4
252.10117	0.5
264.06522	0.9
265.07303	37.8
266.07855	2.3
276.06689	0.4
278.04419	0.3
280.09692	1.8
292.05963	1.4
293.06775	65.5
294.07117	3.5
303.79382	0.2
308.09109	100.0
309.09421	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	308.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03455	0.5
55.01864	0.5
55.05503	9.0
56.05013	0.6
57.03435	2.1
61.02910	1.8
61.25950	0.4
69.03416	4.8
70.06200	0.8
70.06582	14.4
71.01330	1.9
71.04975	1.6
71.09273	1.2
71.61141	0.4
73.02894	1.5
76.02204	0.5
80.05020	0.5
81.03403	1.2
82.06574	13.4
84.08131	8.2
85.02369	0.6
85.02892	10.6
86.06050	1.5
87.04427	0.5
91.03943	0.8
97.02882	3.6
99.04448	1.1
100.07602	37.6
101.02332	0.6
101.07922	0.5
103.03949	1.0
109.02868	0.9
110.06023	16.8
111.04411	0.9
115.03901	0.5
127.03934	2.0
128.04305	0.7
128.07059	25.9
130.08632	2.2
135.04433	0.4
143.03418	0.4
145.02989	0.4
145.04916	1.5
146.08101	100.0
147.04373	0.6
147.08446	2.4
163.03864	2.1
164.06923	0.4
184.43130	0.4
196.51050	0.5
224.09073	0.6
286.09784	0.4
287.81757	0.4
308.13049	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0913
Annotation	Peruvianine
Peak:m/z	Relative Intensity
53.99632	0.3
62.34624	0.3
67.78489	0.3
69.54488	3.3
71.08607	0.3
80.21477	0.3
82.32894	0.3
98.10576	0.3
98.20664	0.4
109.06532	0.4
143.10464	0.3
165.12729	0.6
167.07323	0.7
181.08772	0.5
182.50186	0.4
188.55743	0.3
190.73940	0.4
191.07306	1.4
192.76361	0.3
194.05975	1.4
196.07550	1.0
206.09683	1.8
207.06807	0.4
209.08257	0.7
210.05502	1.1
212.91449	0.3
219.04567	0.7
219.06744	9.2
220.05159	1.2
220.07495	2.3
222.05473	1.3
227.43073	0.3
232.07541	1.6
234.05396	1.9
234.09064	1.2
235.06233	5.5
236.06996	6.2
237.05489	0.4
237.07666	0.4
239.70692	0.3
246.05461	1.1
247.06276	5.8
248.06970	3.4
249.07799	0.5
250.04970	14.6
251.05469	0.9
251.90349	0.3
260.06937	0.6
262.08643	3.7
263.05695	2.1
264.06522	12.6
265.04828	1.0
265.07275	10.7
275.05673	4.0
276.06534	7.0
277.07285	0.9
278.04526	3.6
279.05026	0.5
280.05881	0.5
280.09653	1.2
282.82861	0.4
290.04401	0.6
290.08002	0.7
291.05167	0.5
292.05981	9.8
293.06775	41.8
294.07016	2.3
307.08270	0.5
308.09113	100.0
308.22888	1.6
309.09515	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	307.2626
Annotation	Decaryiol
Peak:m/z	Relative Intensity
50.81111	1.2
53.03930	2.2
55.01848	3.3
55.05262	1.7
55.05502	23.0
57.03417	4.5
57.07065	100.0
59.04983	1.9
67.05492	35.1
69.03381	1.5
69.06729	2.1
69.07056	20.1
71.00715	2.9
71.01091	2.3
71.04970	3.5
71.08620	56.6
79.05479	31.5
81.07040	38.4
83.04959	10.1
83.08148	1.0
83.08601	25.6
85.02891	14.7
85.06504	3.7
85.10165	33.4
85.39548	1.4
91.05460	7.2
93.07031	20.5
95.04936	5.1
95.08590	71.3
96.20406	1.3
97.06496	6.1
97.10167	8.7
100.56212	1.3
105.07002	6.0
107.04897	3.0
107.08572	12.8
109.06478	4.5
109.10135	38.3
111.04405	3.9
113.09600	2.0
117.06969	3.1
119.08559	4.5
121.02826	2.1
121.06459	3.6
121.10104	9.2
123.08019	4.3
123.11717	8.3
125.05944	2.9
125.09614	9.5
131.08554	2.9
133.10107	2.1
135.08025	4.7
135.11658	4.4
137.09608	1.9
139.11116	3.9
142.47530	1.4
145.10066	3.1
147.47955	1.2
149.09604	3.2
149.13203	2.8
151.11130	2.2
151.14778	1.9
153.09053	7.4
159.11658	2.0
163.11130	3.2
163.14809	2.1
165.16313	4.1
183.17409	33.8
221.18860	1.5
239.19955	4.7
249.22044	2.5
251.23651	3.6
265.21588	4.8
271.24005	1.7
279.26788	57.0
280.27124	1.8
289.25192	14.3
292.09555	2.3
307.26245	99.4
308.26651	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.01863	5.6
55.05503	10.8
57.06784	3.4
57.07066	62.3
67.05494	37.2
69.07059	17.4
71.04965	8.3
71.07616	7.5
71.08617	92.7
72.04498	8.3
79.05494	11.8
81.07042	69.8
82.07377	4.4
82.99820	2.1
83.04926	2.4
83.08589	7.3
85.06511	3.9
85.10168	48.4
91.05447	14.9
93.07032	27.6
95.04948	5.4
95.07986	4.3
95.08590	77.9
96.08908	3.8
97.06515	4.5
97.10149	4.6
105.07018	12.1
107.08569	22.7
109.06493	8.7
109.10145	13.3
117.07025	4.0
118.79324	2.3
119.08556	18.1
121.02841	4.4
121.06520	3.1
121.10126	7.9
123.11698	4.2
126.36175	2.0
129.06892	1.9
131.08531	2.5
133.10078	8.9
135.08046	3.9
135.11664	17.5
137.05937	8.0
137.09605	17.4
137.13263	13.1
138.06294	5.1
145.10054	2.7
146.08156	2.7
153.12738	3.2
155.14284	100.0
165.12717	4.3
197.18941	8.5
210.10811	2.2
221.18971	12.0
225.18497	3.6
235.20552	16.7
271.23944	2.2
289.18021	2.6
289.21939	4.0
289.25101	17.9
307.11514	7.0
307.22559	5.9
307.25699	32.4
308.09055	5.8
308.26044	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	Decaryiol
Peak:m/z	Relative Intensity
51.50312	1.4
55.01853	2.9
55.05502	21.3
57.03415	1.9
57.07065	100.0
58.23917	1.3
65.03928	1.7
67.05491	39.2
69.07057	16.6
69.71347	2.1
69.71703	13.1
71.04971	1.7
71.08618	49.2
79.05477	27.2
79.73562	1.3
81.06596	2.2
81.07039	37.1
83.00542	1.5
83.04974	8.5
83.08604	24.2
85.02895	12.2
85.06528	3.7
85.10165	30.2
91.05456	6.3
93.07027	19.7
93.72469	1.3
95.04929	4.0
95.08587	71.9
95.30752	1.7
97.06516	7.5
97.10153	9.1
98.20834	4.5
99.11711	1.8
105.07006	5.8
107.04975	2.9
107.08587	11.0
109.06465	2.4
109.10137	36.8
111.04418	3.3
113.09718	1.5
117.07022	2.4
119.08547	4.9
121.06492	2.7
121.10145	8.6
123.08067	4.4
123.11694	7.5
125.09614	9.8
131.08485	2.6
135.08009	4.0
135.11690	4.5
137.09601	2.2
139.07471	1.6
139.11111	5.0
145.10049	1.8
149.09583	4.4
149.13301	2.3
153.09082	5.7
163.11160	1.7
163.14825	3.7
165.16377	2.7
183.17424	37.8
221.19119	1.6
239.20049	4.9
247.84161	1.8
249.21912	3.3
251.23607	4.5
265.21686	1.8
279.26804	52.8
289.25223	8.8
307.26270	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06365	2.5
55.01862	8.1
55.05501	15.3
57.03421	2.7
57.07067	64.5
60.25523	2.5
67.05497	37.3
68.60411	2.4
69.03403	3.7
69.07056	26.8
69.45329	12.9
69.45753	17.8
71.04976	7.7
71.08620	100.0
72.04499	11.4
79.05480	48.8
81.03378	2.7
81.07039	75.0
83.04985	3.3
83.08598	9.6
85.02898	7.4
85.10161	43.3
91.05461	39.4
93.07022	41.0
95.04952	17.1
95.08585	66.6
97.06516	5.9
97.10114	5.5
98.21404	4.2
99.08041	2.9
105.07014	34.6
105.45921	2.8
107.04942	5.2
107.08576	43.6
109.05859	2.3
109.06496	54.1
109.10146	12.2
114.09125	3.0
115.05440	3.8
117.06992	38.9
119.04926	11.8
119.08532	14.6
121.02830	3.5
121.06468	3.1
121.10111	8.3
123.08025	4.9
123.11724	3.4
129.07002	8.3
131.08546	18.6
133.10159	7.5
135.08028	93.5
135.11652	4.5
137.05962	10.5
137.09573	13.9
137.13223	9.9
138.06294	4.9
145.06461	10.5
145.10077	9.6
147.11609	3.7
149.09563	3.8
153.09039	4.9
155.08519	3.5
155.14279	59.9
156.14641	3.2
159.07983	3.2
159.11710	3.7
163.11197	3.7
165.12692	5.4
173.13303	4.5
175.14873	3.0
203.15561	2.7
204.94914	2.9
238.21606	7.5
251.16437	7.3
251.20158	3.4
254.88713	2.5
261.22018	11.0
263.09171	6.7
263.20062	11.1
264.09723	14.6
271.20587	7.3
277.06836	9.4
280.09589	3.2
289.18649	4.1
289.21579	18.9
289.24677	4.0
290.21820	5.0
291.08469	8.5
291.23080	13.0
292.09180	34.9
293.06772	5.0
307.11584	61.3
307.22791	68.5
307.26251	11.0
308.09085	12.2
308.22842	4.6
308.25815	58.6
327.71396	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	307.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18005	2.0
52.86700	2.4
53.03935	11.4
55.01856	19.2
55.05500	20.6
55.29039	2.2
57.03411	9.9
57.03660	2.1
57.07064	22.9
59.04972	3.6
65.03918	2.7
67.05490	46.5
69.07056	41.2
71.04963	5.8
71.08617	31.8
77.48743	2.1
77.97730	2.0
79.05475	45.4
81.03406	25.1
81.07036	100.0
82.07391	2.7
83.04939	7.9
83.08604	11.1
84.89057	2.2
85.06510	6.5
85.10173	15.3
91.05462	45.1
93.06484	4.1
93.07017	46.9
95.01318	3.9
95.04954	15.2
95.08582	54.6
97.06506	38.8
97.10148	7.5
99.04422	3.6
99.08068	2.7
103.05462	2.4
105.07009	52.6
107.04936	19.2
107.08572	32.1
109.06490	18.4
109.10136	13.4
111.08022	7.1
115.05371	2.5
117.06987	20.4
119.04912	4.9
119.08564	32.3
121.02811	3.4
121.06477	8.0
121.10127	10.6
123.04404	3.7
123.08038	12.1
123.11694	4.6
125.09597	8.0
129.06946	3.3
131.08524	24.2
133.10104	37.6
135.06961	1.9
135.08015	12.8
135.11652	20.3
137.05978	6.0
137.09586	12.5
137.13158	4.5
138.06253	4.2
143.08548	4.0
144.00301	2.2
145.06482	3.3
145.10081	14.9
147.11642	13.5
149.09576	10.9
149.12128	2.8
149.13126	10.7
151.11073	2.2
153.05501	3.2
153.09119	4.2
154.51878	2.2
155.14282	30.9
159.08035	2.3
159.11647	14.9
161.13231	4.7
163.11157	6.3
163.14822	2.3
165.09109	3.4
169.10020	3.4
173.13194	3.6
177.12718	12.4
179.14317	6.7
185.13167	3.2
187.11240	5.7
205.12096	3.1
209.15338	4.3
219.17397	39.4
221.18916	3.4
235.16966	2.6
247.20442	3.6
250.87206	2.3
257.18881	5.4
265.07196	2.3
266.63864	2.1
275.20010	78.5
276.06360	3.1
276.20288	7.5
277.06921	5.4
289.21558	4.0
289.25092	4.2
292.05835	2.5
292.09314	9.2
293.06659	4.9
307.11673	25.4
307.18945	9.7
307.22562	24.7
307.26242	15.2
308.08984	8.9
318.86966	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.205
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03926	4.5
55.01864	4.0
55.05485	8.6
57.03424	5.2
65.03931	2.7
67.05496	17.4
67.50636	2.2
69.03411	2.8
69.07043	9.1
70.97614	1.8
71.00517	6.0
71.08616	2.2
79.05483	23.5
81.03391	3.4
81.07051	26.9
83.04976	4.6
91.05471	27.9
93.07021	22.1
95.04948	38.8
95.08594	9.4
95.93499	2.2
97.06503	16.9
103.05428	3.2
105.07011	47.4
105.90034	2.1
107.04912	3.2
107.08568	11.3
109.06509	6.9
109.10116	2.5
115.05423	6.8
117.06993	12.8
119.08559	43.4
120.08852	2.9
121.02853	4.3
121.06494	6.3
121.10120	11.4
128.06207	20.0
129.06998	19.3
130.07762	6.0
131.08553	22.8
133.06424	2.6
133.10110	65.0
141.06940	9.8
142.07782	19.3
143.08546	53.4
144.09282	9.5
145.06436	4.8
145.10124	39.0
147.08022	9.3
147.11674	6.4
149.09583	3.1
153.07028	3.9
154.07738	7.1
155.08582	11.8
156.09293	17.4
157.10110	32.3
158.10878	9.8
159.07979	2.8
159.11685	30.1
160.12018	2.1
161.09592	10.0
161.22081	2.6
165.06952	7.9
166.07767	3.0
167.08545	22.4
168.09306	4.8
169.10100	27.3
170.10759	4.2
171.11664	18.8
172.08765	2.8
173.13225	20.1
179.08563	13.4
180.09276	3.5
181.10071	17.5
182.10878	21.6
183.11644	15.9
184.12431	8.0
185.13123	5.4
187.11174	8.4
192.09380	3.7
193.10101	18.4
194.10847	13.2
195.11678	19.6
196.12418	9.5
197.13237	28.8
198.13870	5.5
199.14792	7.2
203.08595	5.1
205.10072	7.4
206.10881	16.4
207.11655	21.7
208.12375	9.9
209.13190	19.6
211.14792	16.7
217.10118	5.0
218.10875	6.2
219.11641	9.8
220.12457	5.9
221.13216	27.3
222.13889	6.7
223.11108	4.0
223.14722	14.8
224.15552	3.0
225.16370	2.9
229.10083	6.8
230.10825	2.5
231.11671	5.6
232.12318	5.8
233.13185	11.9
234.13995	7.5
235.14748	8.2
237.12636	4.7
237.16312	8.5
238.17360	3.8
239.17822	3.6
244.12399	5.5
245.13164	6.9
246.14020	4.6
247.14804	9.6
248.15594	7.6
249.16315	9.0
251.14279	9.0
251.17874	6.6
259.14761	13.4
260.15454	3.5
261.16287	5.8
263.17865	18.9
264.18558	2.9
265.15857	2.4
274.17117	9.7
277.15854	2.7
279.20929	5.0
280.09644	2.0
285.30954	2.5
289.19501	18.1
292.05994	2.3
292.18176	2.6
293.06274	2.5
307.20502	100.0
308.09048	7.7
308.20932	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.6
55.01864	2.2
55.05486	3.3
57.03432	4.6
60.04525	4.8
61.02904	3.4
65.18304	1.1
67.05496	10.8
69.03420	28.4
69.07052	6.6
70.06587	2.6
71.04978	13.8
71.13078	1.6
71.13400	1.5
72.08112	1.1
73.02914	5.6
79.05478	17.6
80.05795	1.0
80.35754	0.8
81.03405	24.1
81.07037	10.9
83.04959	4.5
84.04486	1.2
84.08131	3.8
85.02889	80.9
85.06499	1.5
86.03199	1.5
87.00811	4.4
87.04440	3.0
91.03931	1.2
91.05463	4.4
93.06493	1.7
93.07033	23.1
94.06559	1.2
95.04951	1.6
95.08574	7.3
97.02873	23.5
97.03475	0.8
97.06499	4.1
99.04437	47.2
100.04763	1.4
101.02339	1.4
103.03927	88.1
104.04266	1.8
105.03403	1.7
105.07007	2.0
107.04942	2.9
107.08583	3.7
109.02857	21.8
109.06467	1.7
109.10140	2.3
111.04417	3.7
115.03912	2.2
119.08540	1.0
120.08107	2.0
121.10118	34.7
122.10482	1.8
123.04420	1.9
123.11743	1.1
125.05974	2.3
127.03894	100.0
128.04216	2.8
129.10196	2.9
130.06505	27.9
130.07411	2.2
131.08557	3.4
132.04439	6.7
137.09561	1.0
139.03856	2.2
139.11153	13.7
145.02998	1.2
145.04933	33.0
145.08614	1.2
146.05997	2.4
149.09558	10.2
153.12692	1.3
157.06392	1.8
157.07588	20.3
157.08780	1.8
157.12212	10.6
158.05991	28.7
158.07967	1.7
163.05980	10.3
167.10660	17.4
175.08636	13.2
176.07019	5.9
177.05499	1.2
177.06902	1.7
179.03386	1.3
185.11652	3.6
187.05997	14.7
197.07123	1.5
198.17152	1.0
203.08116	2.3
203.12837	1.1
205.07051	7.0
222.07692	1.5
243.07703	2.9
247.10992	1.1
261.08627	13.1
271.08011	3.0
271.11679	1.4
289.08194	4.5
289.11694	1.7
307.06003	1.3
307.09314	3.0
307.12598	2.0
307.16278	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01855	1.7
56.96556	1.2
57.03421	5.1
59.04989	0.8
61.02907	3.4
63.77905	1.0
67.05484	1.8
69.03416	31.0
69.07052	1.5
71.04971	7.2
71.79144	1.4
73.02901	3.3
79.33552	1.0
81.03404	28.6
81.07034	2.5
82.03755	1.0
83.04964	1.8
85.02890	77.0
86.03211	1.1
87.04464	0.9
91.05488	1.1
93.07034	2.3
95.04933	1.5
95.08595	2.0
97.02872	22.0
97.06496	2.3
99.03784	1.2
99.04440	42.6
103.03925	85.3
105.07030	1.9
106.08418	1.0
107.08588	2.5
109.02142	1.8
109.02860	23.4
109.10162	2.2
115.03911	1.0
120.82114	0.9
121.10104	1.2
123.13709	1.1
127.03893	100.0
128.04225	2.1
137.05902	1.6
145.04930	29.6
151.03868	1.2
157.10126	1.3
163.03862	1.4
163.06012	7.7
187.05986	17.5
205.07028	12.0
259.09509	2.1
265.07224	1.3
271.08069	2.5
284.89673	0.9
289.09076	1.2
293.06775	2.2
307.10806	1.2
307.26575	1.7
308.09073	6.1
311.26584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01854	1.4
57.03426	4.3
61.02913	3.0
69.03415	27.1
70.06563	0.9
70.32278	0.6
71.04980	6.6
71.78709	0.7
73.02908	4.6
76.02203	1.2
79.05455	0.8
81.02923	1.4
81.03400	26.1
81.07059	1.5
83.04943	1.0
85.02885	83.1
86.03217	1.9
87.04441	0.9
89.76082	0.7
91.03940	1.1
91.05436	0.8
93.07031	1.3
95.08545	1.0
96.91247	0.6
97.02872	23.9
99.04434	44.1
101.02413	0.9
101.57308	0.6
103.03919	86.5
104.04245	1.3
105.03342	0.7
105.06992	0.9
109.02145	1.5
109.02858	21.5
109.10156	0.9
114.32899	0.7
115.03911	1.0
117.10314	0.7
121.10143	1.1
127.03886	100.0
127.12208	0.9
128.04207	2.2
137.05959	1.3
139.03867	0.8
145.04932	33.0
146.05281	1.4
159.08014	0.7
163.05991	8.9
187.05981	15.2
187.07581	1.4
205.07031	10.8
211.20804	0.8
240.31247	0.6
253.06987	0.8
271.08044	3.7
307.05917	2.3
307.11594	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04946	0.9
53.03934	5.6
55.01863	2.0
55.05501	1.3
57.03422	4.5
61.02917	3.2
67.05489	1.8
69.03416	31.0
69.07056	1.8
69.67659	7.9
71.04990	7.3
73.02917	5.1
79.05508	1.0
81.03407	25.9
81.07049	2.4
85.02893	78.7
86.03275	1.1
87.04475	1.0
87.51920	0.9
91.03963	1.5
93.07064	1.1
95.08603	3.0
97.02882	22.3
97.06547	1.3
98.21432	1.7
99.04443	46.8
101.02402	0.8
103.03927	81.4
105.07060	1.1
107.08581	1.7
109.02860	22.4
109.03619	1.3
109.10150	1.6
119.08539	1.2
121.10084	1.2
123.11723	1.0
127.03897	100.0
128.04251	2.4
132.99825	0.8
133.10173	1.4
135.08003	1.0
145.04938	31.1
163.05983	7.3
172.49475	0.9
187.06006	17.3
205.07022	9.4
229.12492	0.9
271.08173	3.5
280.06445	0.9
307.05945	2.3
307.09619	1.7
308.09277	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01866	2.1
55.05483	1.4
56.05011	1.1
57.03413	4.6
61.02921	2.5
64.98875	1.0
67.05475	1.1
69.03419	27.1
70.06563	2.1
70.88521	3.3
71.04978	8.5
72.08156	1.0
73.02903	4.5
81.03403	26.5
83.01252	1.1
83.04968	1.9
84.04491	7.5
84.08129	3.1
84.39307	1.2
85.02890	77.8
86.06055	1.3
87.04428	1.7
89.03882	0.9
97.02876	26.2
99.03784	2.1
99.04436	40.2
103.03925	76.1
109.02146	2.0
109.02865	27.2
115.03869	1.3
119.01923	2.6
121.10082	1.0
122.07142	2.0
123.08258	0.9
127.03892	100.0
128.04260	2.9
130.04964	3.8
131.01863	2.3
135.04361	1.1
145.02795	1.0
145.04927	29.0
157.03436	1.3
161.02936	2.9
163.03888	8.3
163.05928	6.3
173.02931	1.8
175.00325	1.2
179.03387	1.2
187.04466	1.8
187.05995	15.1
200.98351	1.3
201.05916	1.1
203.04082	1.6
204.04559	1.0
205.07082	8.6
257.07690	1.4
271.08139	2.7
274.90967	1.2
307.04269	1.8
307.10040	2.0
307.13174	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01870	1.1
57.03428	5.4
61.02921	3.7
62.43354	0.6
69.03417	27.0
69.87186	1.8
69.87609	2.8
70.03719	0.7
71.04984	6.0
73.02904	4.9
81.03405	27.5
83.01311	0.7
83.05001	0.6
85.02890	82.8
86.03197	1.1
87.04442	0.7
91.03934	0.8
91.57924	0.7
97.02874	21.4
98.03218	0.7
99.04439	42.7
100.04774	1.2
101.02377	0.9
103.03925	85.0
104.04239	1.3
109.02857	20.1
115.14669	0.6
127.03894	100.0
128.04250	1.8
130.06520	2.6
132.04460	0.6
145.04936	32.8
146.05222	1.4
158.05991	1.2
163.05978	8.6
169.04942	0.8
176.07031	3.8
187.05988	12.8
205.07028	8.0
210.98354	0.7
222.07591	1.2
271.08051	2.2
307.13071	0.7
324.05673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01860	1.1
57.03424	3.8
57.46563	0.5
61.02913	3.5
69.03417	26.4
69.07051	0.5
70.54524	0.8
70.54922	0.9
71.04978	5.8
73.02901	4.1
81.03406	25.6
81.07039	0.6
83.04978	0.5
85.02891	83.0
86.03221	1.0
87.04443	1.0
91.03940	0.8
95.08592	0.7
96.52988	0.5
97.02878	23.3
98.20750	0.6
99.04439	47.5
100.04795	1.1
100.45766	0.5
101.02374	1.0
103.03925	85.7
104.04265	0.8
109.02857	21.1
110.03209	0.5
111.94830	0.5
115.03895	0.9
118.77821	0.5
127.03893	100.0
128.04184	1.2
139.03828	0.9
145.04939	31.1
163.05983	8.3
187.05995	15.7
188.06371	0.6
205.07042	8.8
232.08684	0.7
233.05797	1.3
248.08275	1.0
263.10651	1.1
268.46124	0.5
271.08017	2.8
289.08960	1.1
307.06293	0.9
307.09686	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.6
54.83656	1.4
55.01862	2.0
56.07393	1.4
56.09947	1.2
57.03419	4.5
61.02904	3.1
62.95947	1.1
63.53129	1.1
63.72056	1.2
65.80525	1.2
67.05482	3.1
69.03419	32.5
69.07040	5.0
71.04971	6.0
71.80938	1.4
72.27923	1.2
73.02892	5.8
73.61638	1.6
79.05474	2.3
81.03404	29.0
81.07037	10.4
85.02895	70.7
85.06512	1.6
86.03218	1.4
90.77013	1.2
90.81098	1.4
93.07045	6.8
95.04951	2.4
95.08597	3.4
97.02878	22.5
97.06480	2.1
99.04438	39.7
101.02375	1.4
103.03930	74.4
105.06994	2.9
107.04929	1.8
107.08579	4.1
109.02865	25.4
109.06549	1.4
109.10119	3.7
111.08059	2.1
121.10099	2.3
123.11684	2.7
127.03899	100.0
128.04216	2.8
133.10149	2.6
137.05986	1.4
137.09763	1.3
139.03841	1.5
145.04947	24.1
151.11201	4.1
163.05984	4.2
187.06010	19.8
205.07040	9.7
236.06892	1.9
237.07820	1.6
248.06825	1.7
253.07065	2.3
264.06476	4.5
265.07309	4.4
271.08051	2.5
277.07071	8.2
280.05960	4.1
280.09622	3.7
289.18018	1.6
289.25076	2.1
293.06750	2.3
307.11923	7.2
307.26328	6.8
308.09085	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
55.01852	2.3
55.05502	0.9
57.03421	4.2
61.02919	3.6
69.03416	27.5
71.01315	1.2
71.04980	7.7
71.50042	1.6
73.02908	5.2
73.42649	0.6
81.02924	1.3
81.03404	25.4
83.01328	1.0
85.02892	77.6
87.04462	1.4
93.07045	0.9
97.02879	21.7
99.04440	42.7
103.03925	79.1
104.04221	1.0
109.02862	19.8
115.03900	1.2
118.96719	0.7
121.10116	1.2
123.04404	1.7
127.03895	100.0
128.04265	1.7
130.06508	1.8
133.02846	1.7
139.03830	1.8
145.04933	33.8
151.03935	0.9
158.05910	1.4
162.68056	0.8
163.06017	7.4
179.03372	8.8
187.05978	14.3
205.07068	9.0
207.94482	0.7
254.18657	0.7
261.08548	1.0
262.92249	0.9
263.86264	0.8
271.08145	2.6
272.07883	0.8
289.09012	1.3
307.13202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01857	1.5
55.05484	1.0
57.03415	3.9
59.04969	0.7
61.02902	2.7
61.53132	0.6
67.05484	1.1
69.03418	24.8
69.61369	6.4
71.04983	7.1
73.02914	4.2
81.03403	22.8
81.07030	2.5
85.02889	76.8
86.06042	2.9
87.04439	1.1
91.03894	0.7
91.05483	0.9
93.07052	0.7
95.08594	2.1
97.02874	21.3
98.03192	0.7
98.21430	1.3
99.04438	43.7
99.08077	1.8
100.11245	0.6
101.73443	0.6
103.03922	82.4
104.04231	1.1
105.07011	0.7
109.01244	0.7
109.02859	20.6
109.10164	1.1
115.03925	1.0
115.08669	1.0
119.08504	0.9
123.08040	1.4
127.03889	100.0
128.04227	1.9
138.09129	1.3
141.09059	0.6
145.04938	30.8
163.05977	9.1
169.04839	0.8
187.05980	13.0
205.07065	8.5
208.75487	0.6
253.06863	1.0
271.08023	2.2
289.15671	1.2
305.58249	0.7
307.06000	15.8
307.09570	0.6
307.11548	2.2
307.16489	4.5
323.81708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
55.01859	2.9
55.05485	2.5
57.03428	6.5
57.07056	2.1
58.21257	1.1
58.44952	1.1
61.02912	2.3
67.05472	4.3
69.03418	28.6
69.07063	9.9
70.06577	7.7
70.41194	5.2
71.04970	6.3
71.06886	1.7
71.08616	1.6
73.02889	4.9
79.05476	3.1
81.03408	28.9
81.07042	10.9
83.08608	1.5
84.04525	1.3
85.02890	71.8
86.03241	1.4
87.04454	1.4
88.07596	3.2
89.07941	1.3
91.05457	1.8
93.07036	4.0
95.04951	2.0
95.08594	6.5
97.02878	23.3
97.06517	4.3
98.20683	1.3
99.04439	37.5
102.09148	1.6
103.03928	63.5
103.09499	1.5
105.07027	2.8
107.08582	5.3
109.02859	24.2
109.06529	1.4
109.10146	5.1
111.08031	2.7
111.11719	1.6
115.03881	1.3
119.08530	2.1
121.10127	2.1
123.11685	5.8
125.09625	1.7
127.03894	100.0
128.04199	1.5
132.10162	3.1
133.10117	2.1
135.11676	2.2
139.03877	1.4
139.11127	2.0
143.00133	2.5
145.04939	21.2
146.11714	2.6
147.11760	2.5
150.06088	1.4
151.11111	2.2
159.11674	2.0
163.03954	2.7
163.05994	4.3
163.66325	1.1
178.00101	1.1
187.06000	19.1
200.20146	3.2
201.20430	6.4
205.07034	12.7
244.22690	4.3
245.23018	16.4
259.09634	2.4
267.95779	1.2
271.08096	3.3
289.25299	1.8
292.06754	1.3
306.26324	6.5
307.26648	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
55.01855	2.6
55.05497	3.0
56.96534	1.7
57.03431	5.2
57.07042	1.9
61.02910	3.3
67.05497	5.0
69.03414	29.1
69.07058	12.4
70.06579	6.0
70.42372	3.4
71.04974	7.5
71.08624	1.1
73.02886	4.1
79.05467	4.5
81.03400	28.9
81.07034	12.1
83.04947	3.1
83.08625	2.1
84.04473	1.6
85.02888	67.8
87.04471	1.4
88.07641	1.9
91.05455	3.3
93.07030	6.0
95.04941	2.1
95.08587	8.9
97.02869	25.4
97.06526	5.4
99.04436	37.0
101.02379	1.5
103.03922	68.2
105.06989	3.6
107.08566	5.0
109.02859	25.9
109.06488	2.3
109.10137	4.8
111.08058	3.6
111.11691	1.7
119.08531	2.7
121.10123	3.5
123.11678	4.6
127.03889	100.0
128.04187	1.5
132.10165	1.7
133.10120	3.1
135.07942	1.2
135.11647	1.5
137.05998	1.6
137.09593	1.0
137.13231	2.3
139.03853	1.4
139.11127	2.4
140.37782	1.0
145.04922	21.8
145.10039	1.3
146.11789	1.6
147.11644	1.8
149.13228	1.7
151.11137	3.3
163.03857	2.6
163.05995	5.4
163.11142	1.5
165.12746	1.6
187.05986	19.8
200.19994	2.6
201.13022	1.2
201.20407	2.5
205.07033	12.8
216.66251	1.2
244.22763	3.0
245.23009	11.8
259.09595	3.8
267.03928	1.1
271.08069	3.0
271.24170	1.3
285.04968	1.2
289.08826	1.4
289.17749	1.9
289.25320	3.1
306.26605	1.3
307.10919	1.7
307.26602	36.7
308.09042	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	306.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66251	0.2
55.05491	0.3
57.07052	0.6
67.05492	0.7
69.07032	0.3
70.06583	0.5
71.81002	0.4
75.61067	0.3
80.05001	5.1
80.05799	0.2
81.07032	0.6
81.09264	0.3
84.08115	0.3
86.09665	0.5
91.05484	0.4
92.04978	0.3
93.05758	0.6
105.06991	0.4
106.06548	0.8
108.04450	2.6
109.10145	0.7
118.06485	0.4
121.02847	0.4
121.06480	0.6
122.06011	13.5
134.05991	0.5
137.05951	1.8
152.06998	0.6
161.67250	0.3
178.08742	0.3
180.06516	0.4
183.05232	0.6
183.85918	0.3
193.43387	0.3
194.05334	0.3
194.08107	6.8
194.09782	0.5
206.08037	0.5
213.05377	0.3
234.08987	0.3
234.18492	19.3
235.18851	0.7
246.05386	0.3
246.07809	0.4
248.07109	0.4
260.20123	0.4
262.08621	0.9
271.71762	0.3
276.06577	2.1
278.08093	0.4
290.08026	0.9
291.08307	1.2
306.07541	2.4
306.11191	4.9
306.20587	100.0
307.11084	1.7
307.20993	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.3
55.01851	1.3
57.03419	1.8
57.51223	0.7
61.02918	1.4
67.05489	1.6
69.03413	10.5
69.07029	0.8
70.01906	4.6
71.04970	2.6
72.08134	4.3
73.02898	1.1
79.05468	2.2
81.03400	9.5
81.07041	2.3
84.08121	1.6
85.02889	27.3
87.00800	3.1
89.03875	1.0
93.07015	2.5
94.06534	2.2
95.08564	1.0
97.02881	8.9
97.06535	1.1
98.21333	1.4
99.04440	16.2
103.03924	33.8
109.02857	8.4
111.04444	1.0
121.10126	5.8
127.03893	35.5
128.11818	2.2
129.10164	0.9
130.06500	85.7
131.06841	1.4
132.03496	1.6
132.04428	21.7
135.04372	1.1
139.03883	2.6
139.11143	1.8
145.02831	2.1
145.04947	10.7
146.05977	5.5
148.07620	0.8
149.09567	2.1
157.07587	75.0
157.12097	1.2
158.05988	100.0
159.06334	3.4
163.03879	14.9
163.05994	3.7
167.10651	2.4
173.07109	5.4
175.08641	46.3
176.07066	2.6
176.08986	1.7
179.68584	0.7
187.05965	5.0
197.07042	2.6
199.08688	2.5
201.06493	5.0
203.08156	5.3
205.07018	2.5
221.09160	4.6
233.12749	1.1
234.11244	2.6
243.07619	10.6
244.92447	1.0
245.09106	2.3
247.07138	4.0
251.13922	1.4
251.87428	0.9
261.08658	53.9
262.08957	1.4
271.07428	2.2
289.08109	15.8
290.08405	1.0
290.14990	1.1
307.09177	8.0
307.12714	1.6
307.13342	1.6
307.17508	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	306.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88858	0.3
59.15254	0.2
60.58088	0.2
65.03941	0.2
67.05492	0.3
69.07049	1.1
71.25694	0.5
79.05476	1.0
81.07038	0.8
86.39378	0.2
91.05457	0.5
93.07037	0.6
94.04184	1.9
97.06525	0.3
107.08600	0.6
109.10142	0.6
114.09200	0.4
119.64471	0.2
122.03630	5.4
126.09124	0.7
133.10104	1.0
135.11650	1.3
137.05962	100.0
138.06308	1.0
142.18988	0.3
151.11108	0.4
153.12767	0.9
170.15364	2.6
182.15375	3.8
306.11206	0.4
306.20511	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2834
Annotation	Pregnan-21-ol
Peak:m/z	Relative Intensity
53.03926	1.6
55.05504	4.9
57.03417	0.5
57.07065	7.6
58.18649	0.6
65.03930	1.3
67.05173	0.8
67.05495	9.9
69.07056	6.4
69.55447	0.5
70.11982	2.8
71.08622	9.2
72.04517	5.3
79.05482	40.0
81.07044	20.1
83.04957	0.8
83.08592	2.4
85.10175	5.0
91.05466	26.7
92.05799	1.2
93.07030	62.8
94.07352	1.9
95.04952	4.6
95.08596	14.6
97.10152	0.8
105.07018	24.9
107.08581	41.5
108.08875	1.4
109.06482	0.6
109.10146	5.0
114.09156	0.6
116.20371	0.6
117.06973	2.2
118.07729	0.7
119.08569	15.8
121.10139	3.8
123.11689	4.3
131.08530	2.1
133.10110	43.9
134.10440	1.3
135.11673	100.0
136.11995	3.1
137.05974	2.1
137.13261	1.6
147.11664	7.0
149.13225	1.6
151.14743	0.8
155.14275	5.4
156.13783	0.7
161.13234	8.4
170.15233	0.7
175.14787	4.4
177.16422	0.6
180.38576	0.6
189.16399	2.4
193.19499	1.3
197.08073	0.5
201.77559	0.5
203.18028	1.4
205.19495	0.9
217.19461	0.9
231.21057	3.5
245.22620	4.5
247.24127	0.6
249.22162	2.9
259.24182	1.5
287.27298	26.3
288.27673	1.8
290.08148	0.9
305.21271	0.7
305.24753	1.4
305.28308	13.8
306.11230	1.9
306.27930	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	305.2469
Annotation	Ambliol A
Peak:m/z	Relative Intensity
55.05499	6.7
57.07066	56.7
59.04985	2.1
67.05495	18.3
69.03417	5.4
69.07059	10.7
71.04970	3.0
71.08620	87.6
71.79310	1.5
71.79770	2.0
72.08952	1.4
73.27298	1.1
78.50572	1.1
79.05476	6.3
81.07046	54.1
83.04961	1.3
83.08602	4.9
85.06518	3.6
85.09656	2.4
85.10168	45.3
91.05440	7.8
93.07036	10.8
95.04995	2.0
95.08591	62.5
97.06514	2.2
97.10143	1.3
98.67735	1.3
105.07018	14.3
107.08577	8.4
109.06504	10.9
109.10131	10.3
117.06996	1.5
119.08568	5.1
121.06497	2.0
121.10094	3.6
123.04397	8.4
123.08043	2.8
123.11697	2.7
125.09606	5.5
131.08563	2.7
133.06476	1.2
133.10107	16.8
135.08002	8.1
137.05945	11.7
137.09630	2.0
137.13232	13.8
145.10042	1.2
147.04362	2.0
147.11656	3.5
149.09569	2.0
151.11143	11.5
155.14282	100.0
156.14592	2.3
157.10059	2.7
161.09558	4.0
171.11739	1.7
173.01129	3.5
175.11179	1.4
198.39638	1.2
203.17892	1.4
219.21149	3.2
221.19017	6.9
223.10353	1.2
238.00194	1.2
239.09288	1.5
248.06996	1.3
249.05464	2.4
259.24261	4.8
262.08542	5.1
274.08447	1.6
276.06564	15.8
287.20215	2.1
287.23605	8.9
290.08084	8.1
291.08856	9.9
305.05591	2.5
305.10187	1.2
305.17685	14.4
305.21094	7.1
305.24512	27.9
305.30029	1.4
306.11212	36.2
306.24921	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00493	1.3
55.05494	5.8
56.34181	1.3
57.07050	6.4
59.04991	1.6
67.05502	10.5
69.03419	1.7
69.07053	11.0
69.17278	1.4
69.71624	12.0
71.08612	7.7
72.04496	3.5
77.80408	1.3
79.05479	13.4
81.07040	16.6
83.08617	2.4
83.93537	1.3
85.10181	2.9
91.05475	9.7
93.07027	33.5
95.04930	2.0
95.08587	17.0
100.58661	1.4
105.07021	12.8
107.08580	38.8
107.78226	1.4
109.06438	1.8
109.10118	8.4
119.08549	13.1
121.10139	4.3
123.08018	2.1
123.11669	7.1
131.08531	2.1
133.10115	12.8
135.11670	100.0
136.12000	3.3
137.05931	5.9
137.09537	1.9
147.11656	9.4
149.13255	3.1
155.14288	2.7
159.11652	1.5
161.13254	8.4
163.14790	1.9
175.14754	2.4
203.17899	7.1
219.21384	1.4
245.22800	2.5
259.24185	28.7
260.24515	2.9
276.06387	1.5
287.23990	2.7
287.27249	30.1
288.27499	3.3
290.08063	2.5
291.08798	3.4
305.10196	1.5
305.17862	2.3
305.21353	2.4
305.24646	7.7
305.28271	6.5
306.11255	12.6
306.27954	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	305.1741
Annotation	Rubaferin
Peak:m/z	Relative Intensity
50.03039	0.3
51.02363	0.4
53.03949	0.4
53.53119	0.3
54.91326	0.3
55.05506	2.3
57.07066	3.0
67.05494	2.4
69.07056	4.4
70.30279	0.5
70.30690	1.1
71.04954	0.4
71.08619	2.3
75.60023	0.3
77.03920	0.4
79.05470	1.0
81.07028	2.6
83.04955	0.4
83.08598	1.0
85.10168	0.7
90.73495	0.3
91.05466	3.4
93.07043	1.1
95.04945	1.3
95.08581	1.3
95.96682	0.3
97.06483	0.4
100.32844	0.3
102.14819	0.3
103.05474	0.4
105.03345	1.5
105.07000	1.4
107.04945	1.7
107.08577	1.0
109.10136	0.8
115.05431	0.6
118.67767	0.3
119.04918	5.8
119.08594	0.3
121.06415	0.3
123.04405	79.9
124.04740	1.8
129.06964	0.7
131.04932	0.6
133.02821	5.4
133.06503	1.1
133.10110	0.5
135.04381	0.9
135.11656	0.4
137.02342	1.4
137.05939	4.4
139.03874	7.2
142.80241	0.3
143.04875	0.7
147.04379	13.9
149.05951	0.8
151.03885	3.5
157.06427	0.9
160.05124	0.3
161.02316	3.2
161.05960	1.7
163.03867	4.3
165.05473	3.0
171.04370	0.3
175.03893	1.2
175.07529	0.8
177.05440	4.6
179.03346	1.2
185.05835	0.4
189.05412	1.2
189.09035	0.5
191.03357	0.7
192.04178	1.7
193.04935	7.1
202.06284	0.4
203.07002	2.0
220.41304	0.3
259.16879	0.7
262.08527	0.3
276.06500	1.1
277.18018	2.1
287.16299	0.9
290.07974	0.5
291.08731	0.4
305.17410	100.0
306.11322	3.0
306.17743	6.3
318.02216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2107
Annotation	monacolin L lactone
Peak:m/z	Relative Intensity
53.03922	4.1
55.05508	21.5
56.96553	15.0
57.03413	9.8
57.07060	7.6
67.05497	32.5
69.03408	11.6
69.07063	29.4
70.06570	7.3
71.04966	5.4
71.81075	7.8
79.05042	4.0
79.05457	24.7
81.07043	36.3
83.04980	24.9
83.08588	9.6
85.06534	8.3
86.09647	4.3
91.05475	36.7
91.72661	4.1
93.07034	100.0
95.04964	25.0
95.08597	74.9
97.06506	17.0
97.10181	4.5
99.08043	4.3
102.09115	4.9
105.07027	49.8
107.08585	49.6
109.06491	14.2
109.10148	28.3
111.04440	4.7
111.08015	5.2
113.06004	4.9
116.07070	6.6
116.16467	4.3
117.07005	13.6
119.08559	67.6
120.08139	4.7
121.06483	12.0
121.10126	87.3
123.08031	18.2
123.11695	11.2
125.09580	13.2
129.06990	12.9
131.08543	58.7
133.10114	37.0
135.08006	10.7
135.11665	18.2
137.05959	9.3
137.09566	12.6
139.07538	5.8
139.11174	6.7
141.06914	7.6
142.07735	13.5
143.08559	31.6
144.09363	5.5
145.10104	63.3
147.08070	13.9
147.11633	20.5
149.09601	49.3
149.13344	6.7
151.11157	5.5
155.08553	7.9
156.09299	15.8
157.10129	58.3
158.10880	14.2
159.11679	61.9
160.12068	5.8
161.09613	15.0
161.13280	9.9
165.09109	28.9
167.10651	20.9
169.10092	13.2
170.10863	7.6
171.11652	38.0
173.09680	5.8
173.13243	73.7
174.14090	6.8
175.11113	9.5
175.14845	15.1
177.12724	9.9
179.08502	5.6
183.11653	18.4
184.12465	5.1
185.13261	27.1
187.11160	13.1
187.14792	19.3
189.12787	12.8
191.14352	6.8
195.11658	9.9
197.13246	5.9
199.11049	5.0
199.14761	23.8
201.12675	7.9
201.16324	5.9
203.14255	9.0
205.12163	4.8
211.14830	20.5
213.12837	14.8
213.16362	24.7
215.17963	9.6
220.26137	4.1
225.16425	9.1
227.14026	5.6
227.17804	6.0
229.15874	4.9
231.13815	10.1
231.17480	4.4
241.19524	21.1
243.17462	10.9
243.25098	12.4
249.05383	4.6
259.17331	4.8
259.20557	11.1
262.08591	10.4
269.18951	34.7
276.06537	20.2
287.17035	7.0
287.20032	50.4
290.08023	14.3
291.08893	11.7
305.05524	50.3
305.10065	10.3
305.17398	18.8
305.21082	72.1
305.28714	21.8
306.11227	64.6
306.20917	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	305.1589
Annotation	Creoside I
Peak:m/z	Relative Intensity
50.04993	1.6
52.06499	1.6
52.26995	1.4
53.03938	2.6
55.01855	5.3
55.05510	7.5
57.03425	12.1
57.07067	4.5
60.46089	1.9
61.02913	5.1
67.05494	6.2
69.03423	15.6
69.07054	4.5
69.48195	9.6
69.48621	7.2
71.04980	31.3
73.02902	7.6
73.06538	4.8
79.05472	5.3
81.03400	8.9
81.07038	5.8
83.04975	10.1
83.08595	9.8
84.04548	1.7
85.02890	36.2
85.06526	13.1
87.04430	2.5
91.03973	2.1
91.05460	4.6
93.07037	2.4
94.06567	2.2
95.04951	12.9
95.08600	1.7
97.02860	12.4
97.10155	13.8
97.17902	1.5
99.04456	3.6
105.07024	2.3
106.06483	1.5
107.04928	4.8
107.08575	45.1
108.05287	3.1
108.08144	8.0
108.08832	2.1
109.02847	3.1
109.06520	3.7
109.10142	5.8
110.06001	2.5
110.07142	1.6
113.09631	2.1
118.06527	3.1
119.07327	3.8
119.08532	1.8
120.08086	3.8
121.10165	2.1
122.06005	3.1
123.04409	7.0
123.08007	2.3
124.07604	2.8
125.05992	2.0
125.09609	99.2
126.09930	5.4
127.03874	9.0
127.11168	5.9
135.04358	1.9
136.07555	44.2
137.02319	6.4
137.05940	4.4
137.09598	2.8
139.03918	3.2
142.08620	5.5
143.07002	3.8
143.10649	100.0
144.11031	2.7
145.04945	4.6
146.06004	2.9
147.08023	2.0
149.02319	4.6
153.01811	4.3
154.08664	2.4
163.03896	2.4
164.07056	18.8
167.10638	10.2
201.10143	2.4
209.11708	2.1
213.10162	2.4
213.13933	2.2
226.11049	5.1
231.06516	3.2
241.04820	1.9
241.09703	2.5
241.13408	8.8
242.80171	1.5
252.75526	1.5
259.06046	4.5
259.14407	11.9
269.12778	15.9
269.17627	1.5
287.05542	2.3
287.13809	21.3
288.14410	2.3
290.95026	1.6
305.05472	3.8
305.10547	5.5
305.14865	46.1
306.15393	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	305.065
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
53.03930	0.7
55.01855	1.3
65.03911	2.3
67.01839	2.0
67.05472	1.5
67.51446	0.6
68.99773	3.3
69.03413	1.8
69.58633	5.3
79.05481	0.6
84.70323	0.6
91.05439	0.7
93.03374	1.0
95.04959	4.2
97.02875	1.4
105.03362	2.3
105.06984	0.9
107.04900	1.1
109.02811	0.7
111.00763	1.0
111.04414	6.5
121.02841	9.7
123.04404	62.3
127.03883	2.5
128.01994	0.5
129.07004	0.9
133.02840	2.8
135.04385	3.0
137.02284	1.8
137.05896	0.7
139.03854	5.5
139.05421	0.7
145.06479	0.8
147.04402	1.2
147.08041	0.7
149.02310	68.8
150.03130	2.9
151.03886	3.6
153.01794	100.0
154.02165	1.4
157.06465	4.8
159.36656	0.6
161.02312	6.6
161.05969	0.7
163.03922	1.7
167.03371	12.3
167.04799	0.7
169.06419	0.7
171.02875	0.9
171.04315	1.0
175.07507	2.0
179.03378	3.8
185.05943	8.2
195.02853	18.0
203.03348	2.2
203.07086	1.0
213.05432	13.8
217.04950	1.0
231.06477	48.5
232.06854	1.9
241.04910	5.5
245.04367	0.6
245.12831	0.8
258.05170	2.7
259.05972	63.5
260.06314	1.9
269.04410	0.9
273.03711	0.7
273.12305	1.0
287.05447	21.6
305.06573	16.9
305.14764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.2
53.03939	0.4
55.01856	0.5
55.05490	0.7
56.05022	0.5
57.03419	0.9
58.06595	0.3
61.02908	1.0
65.93622	0.3
67.05495	0.3
68.05006	0.6
69.03412	2.9
69.07051	0.5
69.70743	0.2
69.75199	0.3
69.75607	1.8
70.06577	1.2
71.04965	0.5
72.08133	0.5
73.02901	0.6
74.06090	0.3
79.05476	4.4
80.04997	0.5
81.03395	1.2
81.05794	2.6
81.07043	4.7
82.06560	0.8
83.04955	0.4
84.04491	0.4
84.09303	0.2
85.02892	4.9
86.06052	1.2
86.09695	4.1
87.04440	0.3
91.05432	0.3
94.06544	0.8
95.04942	0.6
96.04470	1.3
96.08117	7.4
97.02873	1.9
100.03976	0.3
102.05540	0.3
106.06526	0.6
107.04922	0.4
109.02871	0.6
109.05261	0.5
110.06026	1.7
112.07571	1.2
114.05515	1.6
120.08033	0.3
122.06036	0.3
123.04422	0.5
124.07571	100.0
125.07936	1.6
127.03908	1.2
128.07164	0.3
137.02354	1.1
137.05992	0.4
140.07019	1.5
141.10199	0.7
142.08612	22.8
143.11781	2.0
145.04951	0.5
149.02339	0.4
153.01845	0.3
157.13319	0.5
158.06006	0.3
159.70659	0.3
163.03851	0.4
166.08693	0.3
168.06516	0.3
171.11266	0.9
184.09708	0.5
185.09207	3.6
187.14394	0.5
200.84474	0.3
202.05873	0.3
230.05510	0.3
286.13922	2.1
304.05331	3.0
304.08401	0.4
304.14249	1.0
305.05817	0.2
305.12265	1.3
317.40231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0651
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01855	1.3
57.06195	0.5
58.98401	0.6
65.03910	1.9
67.01842	1.9
67.05489	1.4
68.99453	0.8
68.99774	3.9
69.03421	1.3
71.00089	1.8
81.03390	1.2
82.64362	0.6
85.45257	0.5
95.04948	4.6
97.02869	1.0
105.03372	1.8
109.02883	0.7
111.04438	5.4
117.06992	0.8
121.02843	11.3
123.04408	67.4
124.04724	1.1
127.03885	2.0
129.06952	1.2
131.04860	0.6
133.02817	3.6
133.06477	0.8
135.04414	2.7
137.02342	1.7
139.03891	4.5
143.04918	0.6
143.10641	0.9
145.06406	1.0
147.04381	1.2
149.02315	68.5
150.02855	2.1
151.03905	2.9
153.01799	100.0
154.02220	2.3
157.06467	5.2
161.02316	6.4
161.05946	1.1
163.03856	1.0
167.03389	12.2
171.02934	1.2
171.04341	0.6
175.07526	1.9
179.03403	3.9
184.05151	0.7
185.05940	9.6
189.05434	0.9
195.02867	18.8
197.06129	0.8
203.03395	1.7
203.07054	1.0
213.05424	13.7
214.05803	0.7
217.47594	0.6
231.06490	49.2
232.06841	2.4
241.04909	6.4
245.04425	0.7
258.05252	2.1
259.05981	66.9
260.06369	2.8
287.05469	21.6
288.05740	1.1
305.06497	16.4
306.06924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01856	0.5
55.05492	1.1
56.05011	0.5
57.03421	0.4
60.05662	0.4
61.02920	0.6
63.47285	0.5
67.01866	0.5
67.05492	0.7
67.43067	0.5
68.05001	0.5
69.03409	1.8
69.07049	0.8
69.74183	2.6
69.74595	1.2
70.06573	0.7
71.04960	0.6
79.05479	3.5
80.05009	0.9
81.03396	0.8
81.05793	3.6
81.07037	2.9
82.06584	0.8
83.04985	0.4
83.06107	0.5
85.02886	2.8
85.06513	0.8
87.04464	0.4
88.02187	0.7
88.03989	0.5
91.05480	0.4
93.07028	0.6
93.99023	0.4
94.06547	0.9
96.07493	0.8
96.08113	16.3
97.02856	1.7
98.21439	1.0
106.06536	2.9
107.04939	2.3
107.08527	0.5
107.79323	0.5
109.02854	0.8
111.05556	2.1
113.06017	0.8
116.75797	0.5
119.08521	0.5
120.08053	0.6
122.05997	0.5
123.04428	0.6
124.07571	100.0
125.05971	2.2
125.07889	1.6
125.09586	1.1
127.03890	0.6
129.10088	0.5
130.06546	0.5
137.02333	5.3
137.03366	0.7
141.07430	0.5
142.08636	2.2
143.10646	1.5
150.05544	0.4
151.07501	0.8
160.06047	0.4
163.03790	0.5
185.09192	1.0
230.05234	0.7
233.22385	0.4
258.04694	0.6
259.05984	0.9
261.12387	0.5
286.14160	0.5
287.09262	0.5
304.05286	8.1
304.14264	2.9
305.04987	1.0
305.10599	0.9
305.15161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.5
54.26732	0.4
55.05480	0.7
57.03418	0.5
69.03400	1.3
71.09931	0.9
71.90441	0.4
75.69874	0.4
79.05479	4.4
80.04996	1.1
81.03397	1.1
81.05792	3.5
81.07032	3.9
82.06551	0.4
83.04938	0.4
85.02878	2.2
86.09667	0.4
94.06535	1.0
95.04928	0.5
96.07493	0.9
96.08112	16.8
97.02877	0.5
97.06490	0.8
106.06532	2.3
106.32487	0.5
107.04930	4.4
111.05540	0.6
123.04436	0.8
124.07570	100.0
125.05985	1.7
125.07894	1.8
125.09674	0.4
127.03905	0.7
129.01538	0.4
137.02336	3.0
142.08623	1.8
153.01767	0.5
165.05487	0.5
185.09134	0.6
259.05569	0.4
286.13904	0.6
304.05289	5.9
305.04630	0.7
305.10760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2677
Annotation	3beta-Hydroxypregn-5-ene
Peak:m/z	Relative Intensity
53.03936	0.6
55.05500	3.7
57.07065	9.3
57.32997	0.4
61.32307	0.4
65.03928	0.5
67.05492	4.9
68.99780	0.5
69.03403	0.4
69.07051	3.8
69.96694	2.1
71.04967	0.7
71.08617	11.3
79.05475	3.5
81.06668	0.2
81.07040	9.4
83.08607	1.4
85.10171	5.9
91.05465	17.6
92.05807	0.5
93.07028	7.5
95.04951	1.5
95.05506	0.3
95.08591	8.6
98.20708	0.7
103.05466	1.0
105.07014	42.2
106.07350	1.3
107.08569	2.5
109.02859	0.4
109.06504	0.5
109.10135	1.5
111.00784	0.4
113.05979	0.5
115.05440	1.0
117.06999	3.9
118.07824	0.9
119.08577	2.7
121.02853	0.4
121.06441	0.4
121.10126	4.6
123.08044	0.5
123.11692	0.6
129.07001	0.5
131.08543	8.4
131.09538	0.4
133.10104	100.0
134.10466	3.2
135.08034	0.8
135.11647	0.9
137.02312	1.8
137.13226	0.9
143.08540	0.6
144.09294	0.8
145.10100	4.9
147.11688	1.7
149.09554	0.5
149.13245	0.7
153.01787	2.8
153.38492	0.4
155.14270	5.8
158.10886	0.5
159.11653	4.3
165.01813	1.1
171.11699	0.4
173.05911	0.5
173.11868	0.4
173.13153	1.7
183.02951	0.6
183.17397	0.5
187.14757	0.5
201.05510	0.8
229.04897	2.2
245.22530	0.6
247.06010	0.5
257.04276	0.8
257.15955	0.5
261.21997	0.4
280.17981	0.4
285.03955	0.7
285.22217	1.6
285.25677	13.4
286.26147	1.3
303.04944	30.4
303.19479	1.7
303.23355	2.6
303.26758	58.8
304.05292	2.2
304.27026	4.9
304.30078	0.6
315.05930	0.4
318.72290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2677
Annotation	Pregnan-21-al
Peak:m/z	Relative Intensity
53.03928	0.6
55.05502	3.8
55.24594	0.4
57.03418	0.4
57.07063	7.5
58.46660	0.4
65.03922	0.9
67.05500	5.3
68.99784	0.6
69.07056	3.8
71.08620	8.8
71.81417	0.3
77.03901	0.4
77.06804	0.4
77.71558	0.4
79.05469	3.9
81.03381	0.5
81.07038	7.6
83.04969	0.6
83.08598	1.3
85.06539	0.6
85.10165	6.0
91.05465	20.1
93.07027	7.4
95.04943	1.5
95.08595	8.6
103.05442	1.0
105.07011	51.2
106.07349	1.0
107.08551	2.1
109.02821	0.5
109.10124	1.6
110.53081	0.4
111.00822	1.0
113.05984	0.6
115.05413	0.9
117.07005	4.2
118.07797	0.9
119.08566	1.7
121.02883	0.6
121.10122	4.4
123.08030	0.7
123.11684	0.6
129.07024	0.5
130.07733	0.4
131.04881	0.4
131.08540	8.0
133.10104	100.0
134.10420	2.2
135.11656	0.8
137.02313	3.9
137.05917	0.5
137.09572	0.4
137.13219	0.6
145.10129	2.2
147.11667	0.9
153.01823	4.9
155.14296	3.4
157.10074	0.7
159.11671	2.6
160.43770	0.4
161.05794	0.5
161.13248	0.4
163.03905	0.5
165.01823	2.1
173.05907	0.8
173.13200	0.9
183.04393	0.6
185.13336	0.5
187.03928	0.5
187.14946	0.5
201.05435	2.3
229.04941	4.7
243.21065	0.6
247.05997	0.9
247.20598	0.5
257.04449	2.6
257.16058	0.5
274.04721	1.1
285.03876	1.4
285.22491	0.9
285.25702	10.1
286.25888	0.7
303.04938	54.7
303.26779	87.7
304.05301	5.0
304.27029	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74539	0.6
51.96823	0.7
53.03945	1.0
55.01855	2.4
55.05498	2.4
57.03414	3.0
59.04982	1.8
61.02911	1.5
63.31340	0.7
63.67994	0.7
66.26579	0.7
67.05487	2.0
68.99775	0.9
69.03405	2.3
69.07058	0.8
70.80043	1.8
70.80434	2.4
72.08155	0.8
73.02907	1.5
79.05455	1.0
81.03393	1.9
83.04964	28.1
85.02891	26.4
86.09696	1.9
91.05448	1.6
93.07034	1.4
95.04957	2.9
95.08599	2.8
97.02876	19.8
99.08047	1.2
103.03939	10.1
103.90107	0.8
105.07020	1.9
107.04926	1.7
107.08628	1.1
109.02853	1.2
109.06496	1.4
109.10165	1.0
111.04425	3.5
119.04895	1.1
119.08578	1.8
121.02839	4.5
121.06538	1.2
123.04427	10.0
123.08076	3.2
125.09579	2.6
127.03883	1.3
135.04326	1.0
135.07985	0.8
137.02289	3.8
137.05936	1.9
137.09612	3.6
137.46062	0.7
139.03897	2.5
139.07513	0.9
141.09087	42.0
147.04440	1.2
147.08017	6.0
149.05989	0.9
151.03891	2.5
151.11124	0.9
153.01808	3.4
153.09088	16.8
153.10258	1.4
155.10721	0.8
161.09621	1.2
163.03856	3.2
165.01807	1.3
165.09094	100.0
166.09424	3.0
167.10634	0.9
171.10120	3.9
177.09077	5.1
179.10661	6.6
181.08598	2.0
183.10139	37.5
185.09317	1.1
189.09079	1.5
191.10632	2.1
193.08469	0.9
193.12199	0.9
195.10181	2.5
201.05334	1.5
203.10703	2.3
207.10135	30.9
218.08517	0.8
219.10141	8.7
229.04910	2.0
231.10133	2.3
237.11195	34.0
238.11400	0.9
239.37494	0.8
249.11200	24.3
257.04404	1.8
267.12228	18.2
268.12259	0.8
285.13351	5.4
303.04962	36.2
303.14313	30.9
304.05350	2.1
304.14716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03166	8.1
54.99345	6.8
65.97366	6.6
70.56339	29.7
98.20713	7.3
101.31182	7.1
109.76658	8.1
118.30332	6.6
127.88663	7.3
140.07033	10.5
151.31853	7.1
178.19034	6.6
240.62776	7.3
303.04916	74.3
303.08368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28033	4.9
65.73990	5.0
70.74238	5.0
71.20004	14.9
71.30324	4.5
74.54841	5.1
92.78182	4.9
93.53851	5.2
140.07115	7.6
141.06613	8.0
197.11069	5.4
259.97021	5.1
277.74228	5.7
291.71478	5.2
303.08362	100.0
304.07880	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	303.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.1
55.01854	0.3
65.03927	0.6
67.01857	0.2
67.05473	0.3
68.68339	0.1
68.99776	1.7
69.03405	0.2
69.57615	0.1
70.76544	0.2
71.01328	0.1
71.27456	0.1
71.78584	0.1
81.03405	0.5
91.05455	0.1
93.03384	0.6
93.24884	0.1
94.49705	0.1
95.01303	0.1
95.04934	0.6
97.02805	0.1
103.05496	0.1
105.03382	0.2
105.07012	0.1
107.04955	0.2
109.02856	1.0
110.03680	0.2
110.45557	0.1
111.00786	1.8
111.04414	0.1
115.05445	0.2
117.07009	0.4
121.02022	0.1
121.02850	2.0
123.04406	0.5
126.18329	0.1
127.03912	0.5
129.06969	0.1
131.04881	0.4
133.02814	0.2
133.06432	0.1
135.04434	0.4
137.02321	6.8
137.03398	0.3
138.02632	0.1
143.04858	0.1
145.02802	0.1
145.06453	0.6
147.04337	0.1
149.02303	0.7
149.06003	0.1
153.01797	9.5
154.02158	0.1
155.04872	0.9
155.06058	0.1
157.06453	0.1
159.04408	0.2
161.05965	0.5
163.03882	1.1
165.01813	3.5
166.02638	0.5
167.03299	0.2
173.05968	1.3
177.01854	0.2
177.05463	0.2
179.03304	0.5
183.02853	1.2
183.04387	0.6
187.03864	0.9
191.03381	0.3
191.07024	0.2
194.02055	0.1
195.02878	0.5
200.04626	0.1
201.05441	4.2
203.03299	0.1
205.04941	0.5
207.02866	0.1
211.03896	0.3
213.05467	0.3
215.03419	0.2
217.04877	0.1
219.02863	0.3
219.06439	0.4
228.04121	0.4
229.04918	8.7
230.05260	0.2
231.02924	0.1
232.03625	0.2
239.03392	0.3
245.04445	0.1
246.05278	0.2
247.05966	1.1
257.04401	4.9
258.04825	0.2
261.03894	0.1
267.02856	0.1
274.04684	1.4
275.05386	0.4
285.03915	2.2
286.04367	0.1
303.04935	100.0
304.05276	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0492
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.96843	0.1
53.03949	0.2
54.28593	0.1
55.01865	0.3
58.69227	0.1
63.28135	0.1
65.03928	0.5
67.01873	0.3
67.05480	0.2
68.99779	2.1
69.03417	0.2
70.33468	0.5
73.11069	0.1
81.03394	0.7
87.45038	0.1
89.49939	0.1
93.03384	0.5
94.39144	0.1
95.04960	0.7
105.03384	0.1
105.07066	0.2
107.04944	0.2
109.02854	1.1
110.03625	0.1
111.00787	1.6
111.04386	0.2
115.05402	0.1
117.06985	0.3
121.02846	1.6
123.04430	0.5
125.05866	0.1
127.03891	0.4
129.07002	0.1
131.04895	0.5
133.02878	0.2
133.06439	0.2
135.04385	0.3
137.02316	6.5
138.02649	0.1
145.02818	0.3
145.06451	0.9
149.02325	0.9
151.03922	0.2
153.01799	8.5
154.02156	0.2
155.04895	0.9
159.04329	0.3
161.05975	0.8
163.03897	1.2
165.01808	3.1
166.02576	0.4
172.48372	0.1
173.02461	0.1
173.05960	1.2
173.14563	0.1
177.01790	0.1
177.05461	0.2
179.03371	0.4
183.02861	1.3
183.04407	1.0
184.74236	0.1
187.03886	1.0
191.03387	0.4
191.06923	0.2
195.02885	0.4
200.04610	0.1
201.03615	0.3
201.05426	4.0
205.04918	0.5
207.02777	0.2
211.03879	0.3
213.05450	0.3
215.03328	0.2
219.02893	0.2
219.06567	0.4
228.04153	0.5
229.04916	8.3
230.05157	0.3
231.02747	0.1
232.03500	0.1
239.03351	0.3
245.04584	0.2
246.05219	0.2
247.06024	1.2
257.04398	4.4
258.05029	0.1
274.04721	1.4
275.05402	0.3
285.03891	2.1
285.09106	0.1
286.04495	0.2
303.04932	100.0
304.05255	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0492
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01857	0.2
56.83016	0.1
59.37389	0.1
65.03607	0.1
65.03924	0.4
67.01847	0.3
67.05482	0.2
68.99778	1.7
69.03391	0.1
69.80025	0.4
69.80454	0.3
71.01363	0.1
77.03912	0.1
81.03392	0.6
93.03401	0.5
95.04975	0.6
105.03362	0.1
107.01306	0.1
107.04921	0.2
109.02863	1.0
111.00780	1.6
115.05433	0.2
117.06973	0.2
119.04893	0.1
121.02847	1.9
121.03718	0.1
123.04401	0.6
125.63781	0.1
127.03903	0.5
129.07025	0.1
131.04897	0.4
133.02815	0.1
133.06424	0.1
135.04408	0.5
137.02316	6.1
137.03384	0.2
145.02809	0.1
145.06471	0.7
149.02333	0.5
151.03833	0.2
153.01794	8.5
155.04884	0.9
159.04420	0.3
161.05942	0.5
163.03891	1.0
165.01814	3.2
166.02563	0.4
167.03439	0.1
171.02847	0.1
173.05951	1.1
177.01839	0.2
177.05432	0.2
179.03363	0.3
181.01109	0.1
183.02846	1.4
183.04398	0.8
187.03867	0.9
189.05356	0.1
191.03360	0.4
191.07001	0.2
195.02887	0.4
200.04564	0.1
201.05432	3.8
202.26328	0.1
203.03293	0.1
205.04956	0.4
207.02878	0.3
211.03810	0.2
212.94690	0.1
213.05501	0.2
215.03265	0.2
217.05028	0.1
219.02872	0.2
219.06496	0.5
228.04120	0.6
229.04921	7.7
229.28633	0.1
239.03352	0.4
245.04442	0.2
246.05099	0.1
247.05978	1.2
257.04398	4.3
274.04691	1.3
275.05356	0.3
285.03900	2.1
286.04462	0.1
303.04929	100.0
304.05270	4.0
304.08820	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51067	0.1
55.01857	0.2
56.38070	0.1
65.03919	0.3
67.01852	0.3
68.99779	1.8
71.34154	0.2
71.34473	0.3
81.03397	0.5
93.03374	0.6
95.04953	0.7
96.64067	0.2
105.03342	0.3
107.04963	0.2
109.02859	1.0
111.00792	1.7
117.06953	0.3
121.02855	1.9
123.04426	0.8
127.03897	0.4
129.06038	0.2
135.04344	0.3
137.02322	7.0
137.03342	0.3
137.05989	0.2
138.02698	0.3
145.02771	0.2
145.06441	0.6
149.02347	0.8
153.01801	8.9
155.04887	0.7
159.04266	0.2
161.05928	0.7
163.03914	1.1
165.01819	3.5
166.02568	0.4
173.05978	1.0
177.01917	0.2
177.05441	0.3
179.03349	0.2
183.02847	1.5
183.04404	1.0
187.03905	0.9
191.03310	0.4
191.07027	0.2
195.02824	0.4
201.05432	4.4
204.53485	0.2
205.04884	0.4
206.58397	0.2
207.02824	0.2
215.03342	0.3
217.04909	0.2
219.02812	0.3
219.06514	0.4
228.04118	0.5
229.04916	8.1
230.05333	0.4
233.17386	0.2
239.03514	0.4
245.04504	0.2
245.63489	0.2
247.06018	1.3
257.04404	4.7
258.04828	0.2
274.04688	1.2
275.05304	0.4
285.03900	2.5
303.04938	100.0
304.05289	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	303.049
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03917	0.1
55.01857	0.3
55.05500	0.2
57.03388	0.1
65.03915	0.5
67.01836	0.3
67.05487	0.5
68.99771	1.8
69.03404	0.5
69.07039	0.3
70.06580	1.5
71.01305	0.2
71.04973	0.1
71.06891	0.7
71.79806	0.2
72.08137	0.2
79.05473	0.3
81.03397	0.8
81.07042	0.9
85.02905	0.9
86.03222	0.3
86.09676	0.2
91.05462	0.3
93.03400	0.4
93.07001	0.3
95.04961	0.8
95.08585	0.4
97.02888	0.6
97.06507	0.1
99.04440	0.1
99.08068	0.4
103.05450	0.2
105.03377	0.2
105.07015	0.2
105.45317	0.1
107.04910	0.5
107.08559	0.3
108.05250	0.3
109.02847	1.3
109.06470	0.2
111.00769	1.6
112.07601	0.8
113.05959	0.1
113.07928	0.8
115.05419	0.2
117.06968	0.2
119.04881	0.2
121.02837	1.9
121.06470	0.1
121.10042	0.1
123.04422	0.7
123.08032	0.2
127.03900	1.1
129.06966	0.1
131.04900	0.3
133.02788	0.2
133.06482	0.2
134.05927	0.1
135.04384	0.4
135.08057	0.2
135.11658	0.3
137.02318	8.0
137.03404	0.4
137.05942	0.5
137.07906	0.1
138.02634	0.2
139.03859	0.2
140.07048	0.7
141.07434	0.6
141.09016	0.1
143.08633	0.1
144.13805	0.3
145.04938	0.2
145.06465	0.5
145.10109	0.1
147.04402	0.3
149.02333	0.9
151.03879	0.3
153.01794	8.8
153.07262	0.1
154.02219	0.2
155.04919	0.7
158.08064	0.2
159.08484	0.2
161.05988	0.6
162.05476	0.3
163.03868	1.3
163.07512	0.1
163.11169	0.2
165.01816	3.7
166.02638	0.6
171.02911	0.2
173.05952	1.1
177.05411	0.2
179.03339	0.3
179.08852	0.1
182.08128	0.4
183.02859	1.3
183.04398	0.7
183.08446	0.8
187.03876	0.8
191.03383	0.4
191.07021	0.1
195.02843	0.4
201.03609	0.3
201.05435	4.2
205.04903	0.4
207.02805	0.2
207.08478	0.4
211.03818	0.2
213.05298	0.2
215.03447	0.2
217.04965	0.2
219.02939	0.3
219.06479	0.5
228.04141	0.6
229.04915	8.4
230.05275	0.3
232.03738	0.1
232.08319	0.1
234.98959	0.3
239.03349	0.4
245.04517	0.2
246.05153	0.1
247.06004	1.2
249.09639	0.2
257.04398	5.0
258.04944	0.3
274.04697	1.2
275.05316	0.4
276.99960	0.3
285.03900	2.3
285.12167	0.2
286.04395	0.3
286.11108	0.1
303.04929	100.0
304.05283	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	303.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61670	0.4
68.99736	0.4
70.14914	1.4
70.15326	0.8
71.53656	0.5
74.95422	0.3
89.90861	0.4
95.08579	0.5
98.21338	0.5
101.00851	0.9
105.06991	0.5
107.21894	0.4
119.01902	6.7
120.01987	0.7
121.01640	0.5
132.19466	0.4
134.99664	0.6
137.02962	2.5
155.07007	0.6
173.03029	0.5
176.08307	0.7
177.00923	12.5
178.00993	3.1
179.00728	1.6
181.03372	0.5
199.04529	1.2
201.00851	0.5
217.03931	2.1
218.03827	1.0
219.01959	21.2
220.02074	6.8
221.01765	4.1
222.01823	0.9
225.00873	1.8
225.94565	0.5
229.04941	0.7
242.03459	1.1
243.01907	7.5
243.04115	0.6
244.02133	1.7
245.01660	0.5
256.97021	0.8
257.15994	0.8
260.04575	1.0
261.03009	100.0
262.03149	29.6
263.02829	6.8
266.03607	0.5
275.16873	0.8
278.12244	0.8
279.00381	0.5
280.00867	0.6
284.04605	5.4
284.99869	2.1
285.04630	2.3
286.04608	0.6
286.67752	0.5
297.97791	0.5
301.00989	1.0
302.00977	0.5
303.00778	4.1
303.04993	13.6
303.23123	0.5
304.00775	0.6
304.05380	2.1
320.97104	0.5
321.08411	1.1
322.08029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48528	0.2
55.01838	0.3
60.05335	0.2
63.81087	0.2
65.03917	0.4
67.01852	0.3
67.05491	0.3
68.99772	2.0
70.16057	0.3
70.16473	0.6
73.60459	0.2
78.02709	0.2
81.03403	0.4
93.03372	0.5
95.04948	0.8
98.20733	0.2
107.04925	0.2
109.02182	0.2
109.02843	1.1
111.00768	1.6
119.04946	0.2
121.02851	1.9
123.04389	0.5
125.02304	0.2
127.03911	0.4
131.04901	0.3
135.04420	0.5
137.01256	0.4
137.02312	6.7
138.02669	0.2
145.02794	0.3
145.06459	0.6
147.04340	0.3
149.02336	0.6
153.01794	9.0
154.02150	0.2
155.04895	0.8
157.06490	0.2
159.04366	0.2
161.05998	0.9
161.07185	0.1
163.03874	1.3
165.01808	3.0
166.02586	0.5
167.03345	0.2
173.05954	1.4
177.01813	0.2
179.03351	0.4
183.02853	1.4
183.04396	0.9
183.16373	0.2
185.05890	0.2
187.03873	1.1
191.03430	0.3
191.06989	0.2
195.02805	0.6
201.05424	4.4
205.04930	0.3
211.03874	0.3
213.05434	0.3
219.06534	0.5
228.04100	0.6
229.04929	8.6
230.05264	0.4
239.03400	0.3
245.04497	0.3
247.05995	1.4
257.04398	4.8
258.04883	0.3
274.04678	1.1
275.05402	0.3
285.03909	2.1
303.04929	100.0
304.05286	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	302.2473
Annotation	(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide
Peak:m/z	Relative Intensity
53.03941	0.7
53.20254	0.3
53.82878	0.4
55.05512	0.4
57.07049	0.7
57.67305	0.3
69.07072	0.5
70.06581	0.5
71.08630	0.7
71.82343	0.8
79.05482	5.1
79.40449	0.4
81.07051	0.7
83.08602	0.4
88.07613	0.7
91.05471	2.9
95.04957	1.7
95.08591	0.7
97.10120	0.5
103.05462	4.8
105.07014	100.0
106.07333	3.0
107.08610	0.4
107.72485	0.4
117.07003	0.7
131.08546	1.7
132.01184	0.5
133.10109	7.3
137.02315	0.5
146.09554	0.5
153.01767	0.6
157.13277	0.4
170.18988	0.8
182.19069	0.4
189.85577	0.4
229.04880	0.6
235.31828	0.4
248.52606	0.4
249.80156	0.4
255.57587	0.5
257.04520	0.5
261.22086	1.0
274.25278	7.2
302.24725	43.2
302.30414	3.0
303.04916	8.6
303.24847	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2474
Annotation	Thelepogine
Peak:m/z	Relative Intensity
50.87098	0.6
53.03925	1.1
55.05495	2.9
55.23691	0.6
57.07055	2.0
62.01023	0.8
67.05490	1.6
68.99786	0.7
69.07048	5.4
70.06548	0.7
71.08613	1.3
71.81947	1.0
73.71621	0.5
74.20827	0.6
75.83831	0.7
77.03938	0.7
79.05479	6.8
81.07056	3.2
83.08586	1.7
85.10159	1.0
88.07595	0.9
91.05461	11.1
93.07027	1.3
94.07354	0.7
95.04949	2.0
95.08591	2.0
97.10132	1.0
103.05436	5.8
105.07007	97.0
106.07350	2.7
109.10152	0.8
111.17464	0.6
118.06486	0.7
119.08524	0.7
121.02807	0.8
121.06441	0.9
124.08422	0.6
131.08540	3.5
133.10081	3.0
137.02316	1.9
145.10164	0.9
153.01813	2.9
164.68286	0.6
165.01816	0.9
182.18988	6.8
195.97632	0.6
198.18503	3.4
201.05403	1.2
210.18607	0.8
229.04921	1.7
257.04382	1.5
284.23615	4.1
285.03848	0.8
302.24716	100.0
302.30460	8.9
303.04932	28.5
303.19489	0.8
303.24872	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	302.2472
Annotation	Thelepogine
Peak:m/z	Relative Intensity
51.02376	0.3
53.03944	0.6
56.05022	0.5
57.07061	1.1
61.78938	0.2
65.72105	0.3
67.05495	0.5
70.02934	0.6
70.78415	0.6
71.08630	1.4
77.03901	0.4
79.05476	7.5
81.07060	0.7
81.32404	0.3
82.06541	0.6
83.08588	0.4
84.04493	0.9
85.10153	0.7
91.05463	1.3
95.04958	1.6
95.08578	1.3
98.21374	0.3
103.05447	4.8
103.06077	0.4
105.07012	100.0
106.07349	2.7
111.24525	0.3
131.08569	0.6
148.11189	1.2
186.12767	0.3
192.17461	1.0
198.18509	1.6
210.18542	1.1
284.23672	0.7
302.24731	76.1
303.25107	6.5
312.46637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01864	1.1
55.05496	0.4
56.19204	0.4
65.03929	4.2
67.05502	2.5
68.99776	1.7
69.03400	0.5
69.07044	0.7
70.06568	1.7
71.79077	0.8
72.36153	0.5
74.70123	0.4
77.03931	0.5
79.05483	6.0
81.03403	1.5
81.07033	0.9
82.04166	0.9
84.08114	0.5
85.02884	2.6
91.05472	0.7
93.03385	1.6
93.07016	0.7
95.04957	9.4
95.05562	0.7
97.02878	0.6
97.06522	1.4
98.97561	0.5
103.05447	5.5
105.03394	1.0
105.07014	79.2
106.07343	1.5
107.04961	0.9
108.02103	0.9
109.02876	1.1
110.03664	2.5
111.00780	1.6
111.04421	2.0
112.07568	1.0
115.05400	0.6
121.02868	2.7
123.04412	8.3
125.02318	4.8
125.05963	1.8
128.79132	0.5
130.06505	1.1
135.04434	0.8
135.08020	1.8
137.02310	5.5
137.05969	2.4
138.03119	1.0
138.05493	1.1
139.03909	0.6
140.04660	78.4
141.05109	1.9
142.02606	1.8
145.06506	0.6
148.07600	2.7
149.02347	0.6
151.03888	42.4
151.04926	2.4
152.04207	1.3
153.01794	8.8
155.05008	1.1
155.07005	29.9
156.07361	0.6
163.03932	1.1
165.01817	2.9
165.05528	0.5
166.02574	0.8
171.06540	4.1
173.05977	1.1
173.08073	3.5
176.07085	0.5
177.05492	0.6
179.03482	0.5
181.04930	100.0
182.05278	3.4
182.92995	0.5
183.02893	1.3
183.04395	0.7
187.03830	1.1
201.05527	3.2
219.06627	0.6
228.04149	0.9
229.04947	7.7
246.04750	0.5
247.05995	0.9
257.04437	4.1
259.05612	2.3
274.04520	2.0
279.63974	0.5
285.03937	1.7
287.04974	3.4
302.03897	1.5
302.07379	9.3
302.13824	73.1
303.04947	89.0
303.14050	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	302.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
54.36501	1.6
55.01865	3.0
57.00571	1.4
57.03432	4.6
61.02912	4.7
65.03955	1.8
67.05496	15.8
69.03413	14.0
69.07046	3.3
70.06582	11.7
71.31218	2.8
71.31548	2.9
72.08141	2.4
73.02882	2.5
79.05481	3.8
80.04955	1.5
81.03407	9.3
81.07030	7.1
84.04504	2.4
84.08109	4.3
85.02888	76.6
86.09678	12.8
94.06541	3.2
95.04953	18.6
97.02876	41.0
97.06480	2.0
99.04373	2.0
103.03926	7.3
107.04893	3.9
107.08620	1.7
108.08102	9.4
109.02852	9.3
112.07587	15.2
115.03901	2.1
116.46043	1.6
121.02876	2.9
122.06010	9.0
125.05968	3.7
126.05544	4.6
126.09106	3.0
127.03891	19.3
127.30959	1.8
136.07561	14.2
137.02345	6.9
137.05951	4.0
139.03911	2.3
140.07031	61.4
141.07253	1.6
142.08672	1.8
145.04947	11.0
150.09053	4.0
151.03897	7.4
152.07047	16.7
153.01810	7.6
154.08571	8.3
157.20946	1.8
158.08150	2.1
163.03882	2.6
163.05956	2.0
164.07024	19.5
178.08589	15.4
182.08096	100.0
183.08353	4.0
199.18056	2.2
201.05428	2.2
206.08087	39.5
218.08138	4.0
220.09618	2.0
229.04901	5.7
236.09166	3.3
248.09137	9.3
256.06155	2.0
257.04211	2.2
284.12592	2.5
302.06754	4.0
302.10287	4.5
303.04935	72.1
303.13541	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	302.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46568	0.8
53.03936	1.7
55.01857	1.3
55.05501	0.8
56.96558	0.8
57.03420	3.6
60.04503	1.0
61.02911	2.2
65.03921	1.6
67.05493	26.2
69.03415	16.1
69.07062	8.4
70.06586	7.4
71.61053	1.7
72.08151	1.7
73.02899	1.6
81.03411	5.0
81.07049	1.5
83.01350	0.9
84.04460	0.9
84.08118	2.3
85.02892	35.8
86.09691	2.7
94.06538	3.8
95.04948	44.1
96.05272	0.9
97.02875	29.6
99.04431	1.3
103.03939	3.7
105.07013	1.0
107.04984	1.0
109.02878	7.6
110.06078	0.9
112.07586	37.0
113.05980	4.1
113.07891	1.2
121.02857	3.9
121.06467	0.9
122.03140	1.0
122.06009	8.6
123.04411	2.6
124.07571	2.0
127.03888	7.4
136.07556	2.3
137.02332	4.1
137.05969	1.5
139.03883	1.6
140.07037	100.0
141.07372	3.2
141.09096	1.6
145.04948	4.9
150.09082	0.7
152.07057	2.0
153.01790	4.3
153.09114	1.0
154.08607	5.9
156.58466	0.8
161.03270	1.0
163.03899	0.9
164.07123	2.1
165.01830	2.0
165.09099	1.5
170.08110	0.9
173.06004	1.2
178.08649	3.3
182.08102	59.2
183.08382	2.5
201.05402	2.5
206.08104	14.4
218.08211	2.7
229.04945	4.3
236.09189	2.3
243.06693	0.9
248.09103	7.7
257.04471	3.5
285.03894	2.3
285.12595	1.4
302.12241	3.2
303.04956	57.3
303.13885	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.0
55.91504	0.7
57.03413	1.8
61.02911	2.4
67.05492	23.9
69.03423	13.3
69.07051	6.9
70.06568	2.8
70.16099	1.8
70.16525	2.4
72.08140	1.4
73.02914	1.1
76.70544	0.7
81.03407	4.6
84.08150	1.4
85.02893	34.1
86.09698	1.7
90.00829	0.6
94.06535	1.9
95.04951	42.1
96.05309	1.0
97.02875	29.8
98.03188	1.0
98.21307	0.8
99.04413	1.3
103.03915	3.3
105.42882	0.9
107.37769	0.7
109.02858	6.4
112.07587	32.8
113.05990	4.5
121.06485	0.8
122.06046	4.2
123.04433	1.4
124.07526	1.8
127.03897	8.3
136.07539	2.6
137.02328	1.8
140.07040	100.0
141.07402	2.1
145.05013	3.5
150.09087	0.8
152.07016	1.0
153.01785	2.6
154.08623	5.8
164.07005	1.4
178.08626	2.8
182.08107	56.1
183.08446	2.0
201.05504	1.0
206.08086	12.5
207.08356	0.9
218.08170	1.5
229.05008	1.7
236.09175	2.4
248.09114	7.1
257.04376	1.3
266.10269	0.8
284.11023	1.0
302.12473	3.6
303.04953	22.8
303.13736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01854	0.6
57.03407	0.5
61.02908	0.7
65.03911	0.7
67.01854	0.2
67.05478	0.8
68.99773	1.6
69.03413	1.8
70.06580	2.8
71.20981	0.2
71.21319	0.3
72.08125	0.7
72.46670	0.2
73.02892	0.4
73.59332	0.2
75.50290	0.2
79.05466	0.6
81.03394	2.0
81.07037	0.6
85.02888	10.1
86.09669	0.2
90.30219	0.2
91.03943	0.2
91.05424	0.3
93.03367	0.7
93.05762	0.2
94.06573	0.2
95.04955	1.2
97.02868	5.2
97.06488	0.3
103.03898	0.7
107.04923	0.8
108.08095	1.7
109.02863	2.9
109.06456	0.2
110.03645	0.2
110.05963	0.2
111.00774	1.7
112.07575	2.4
117.06979	0.3
118.05324	0.2
121.02837	2.6
122.06007	1.0
123.04384	0.8
125.05976	1.0
126.05512	0.9
126.09126	0.4
126.34301	0.2
127.03882	2.8
128.07043	0.2
131.04912	0.2
134.05974	0.3
135.04405	0.3
136.07562	1.9
137.02316	8.0
137.03299	0.3
140.07033	6.1
140.08134	0.3
143.11823	0.3
145.04915	1.8
145.06444	0.7
149.02341	0.6
150.09068	0.7
151.03918	0.2
152.07027	2.1
153.01793	8.5
153.05476	0.2
154.08568	0.7
155.04907	0.8
158.08092	0.6
159.04308	0.2
161.05946	0.7
163.03873	1.2
163.05986	0.4
164.07051	3.0
165.01808	4.0
166.02612	0.2
166.08661	0.5
171.11227	0.3
173.05957	1.3
177.05426	0.4
178.08595	2.0
179.03358	0.4
182.08095	12.3
183.02841	1.5
183.04402	0.7
183.08397	0.3
187.03893	0.8
191.03325	0.5
195.02901	0.3
201.03622	0.3
201.05431	4.2
205.04980	0.5
206.08086	4.7
211.03864	0.3
213.05571	0.2
218.08133	0.4
219.06436	0.5
228.04170	0.7
229.04913	8.3
236.09138	0.5
239.03397	0.4
247.06033	1.3
248.09116	1.3
257.04401	4.5
274.04608	1.3
275.05392	0.5
285.03836	2.3
285.11777	0.2
290.00708	0.2
302.03845	0.6
302.13422	0.3
302.16510	0.3
303.04926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2156
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05500	11.4
57.03405	0.9
57.07055	2.6
65.35988	0.7
67.05495	17.5
69.07060	7.8
71.03690	2.2
71.08614	0.8
72.56606	0.8
79.05468	10.8
81.07041	17.2
83.04968	1.4
83.08598	3.8
91.05462	12.1
93.07026	22.8
95.04963	2.6
95.08590	100.0
96.08873	0.9
97.06528	0.9
97.10158	3.7
105.07017	18.1
107.04917	3.8
107.08575	29.0
107.90520	0.8
109.06501	2.6
109.10136	18.2
111.04448	4.5
111.51352	0.7
117.07029	3.9
119.08559	21.8
119.09389	1.3
121.06535	1.7
121.10129	17.6
123.08060	1.1
123.11680	12.7
125.05990	11.1
128.06204	1.2
129.07004	2.6
131.08549	6.6
133.06448	1.3
133.07516	0.7
133.10114	19.3
135.08038	1.0
135.11674	14.2
137.05934	4.0
137.13278	1.0
139.07530	0.9
142.07840	1.3
143.08502	5.3
145.10107	9.0
147.08046	1.5
147.11662	11.4
149.05942	1.0
149.09576	0.8
149.13219	5.1
151.07504	1.3
151.11148	1.3
155.08531	1.7
156.09300	1.5
157.10056	5.0
159.08121	0.9
159.11674	9.7
161.09569	5.4
161.13174	6.4
163.07561	1.3
163.14799	2.6
165.09084	1.3
169.10115	2.9
171.11636	5.6
173.09679	1.2
173.13214	5.4
175.14810	2.4
179.10640	8.5
183.11682	1.3
185.09610	1.2
185.13248	5.9
187.11116	4.6
187.14812	3.2
189.09029	1.2
189.12737	1.1
191.10696	1.6
191.17841	1.1
193.12117	1.2
195.11746	0.9
197.13248	1.2
199.11218	1.6
199.14809	4.2
201.12718	1.8
201.16400	4.0
203.10680	1.7
203.17963	5.9
205.12177	6.6
207.13753	1.2
213.12715	3.3
213.16385	1.6
217.12262	3.5
219.13774	2.6
227.14320	2.1
231.13756	8.7
239.17903	2.7
241.15756	1.3
241.19556	3.3
245.04518	2.2
245.15445	4.9
255.21098	6.8
257.22638	0.8
259.16891	1.7
265.19427	1.3
273.04019	1.8
283.20514	7.3
301.03506	2.7
301.21591	60.4
302.21936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2156
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05490	14.4
57.07066	7.4
57.25036	1.3
58.35769	1.2
62.05784	2.1
62.06078	31.2
63.06414	3.5
65.03917	1.8
67.05496	19.7
69.07053	11.8
71.08614	3.6
71.79179	1.3
71.79552	1.6
79.05484	12.2
81.07045	18.8
83.04984	2.1
83.08580	3.2
91.05466	18.4
93.07021	25.4
95.04955	4.3
95.08593	100.0
96.08915	3.8
97.10150	3.4
98.93700	1.7
105.07011	27.3
107.04953	6.4
107.08576	29.6
109.06495	3.1
109.10139	20.8
111.04411	3.9
117.06984	2.5
119.08569	22.3
119.30173	1.4
121.06468	1.6
121.10134	24.0
121.67917	1.2
123.11695	10.6
125.05977	11.9
129.06963	3.5
131.08563	9.4
133.06563	1.7
133.10107	26.7
135.11674	15.5
137.05942	5.1
137.13278	1.6
138.55135	1.6
139.07515	1.4
143.08533	5.4
145.10100	9.3
147.07964	2.2
147.11659	12.1
149.13217	4.8
151.07510	2.5
151.11226	1.5
157.10139	7.0
158.10542	1.5
159.11690	12.5
161.09604	5.7
161.13261	7.5
163.14804	4.2
165.09128	2.1
165.12862	1.5
169.10139	2.3
171.08009	1.4
171.11665	7.7
173.09550	2.9
173.13232	7.5
175.14774	2.1
178.81436	1.3
179.10640	9.2
183.11728	2.3
185.13243	7.4
187.11195	5.8
187.14815	4.6
189.12666	2.0
191.10651	2.4
195.11716	1.8
197.13251	2.4
199.11205	2.2
199.14862	4.6
201.12753	2.6
201.16364	4.0
203.10649	1.8
203.17966	5.6
205.12184	7.3
207.13788	2.4
213.12785	3.2
213.16382	2.4
217.12242	4.8
219.13792	3.6
227.14284	1.9
231.13751	11.4
233.15308	2.2
239.17944	1.6
241.19455	4.4
245.15384	4.8
255.21008	6.6
265.19379	2.2
283.20490	11.1
284.26663	3.7
301.03491	1.8
301.21625	70.9
301.28970	9.3
302.21652	2.9
302.24719	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0702
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.42974	0.2
51.23587	0.2
53.96866	0.3
55.05507	0.6
57.03424	0.4
57.07065	0.4
64.82544	0.3
67.05508	0.8
67.24266	0.2
68.99783	0.5
69.07060	0.5
70.06586	0.3
74.81733	0.3
79.05493	0.8
81.07071	0.9
83.04975	0.3
87.70106	0.3
91.05475	0.5
93.07036	0.5
95.05007	0.4
95.08605	1.0
97.06528	0.3
97.10159	0.4
97.46139	0.3
103.05473	0.3
105.06985	1.2
107.08582	0.7
109.10158	0.7
111.04444	0.3
119.08575	0.5
121.06470	0.4
121.10137	0.8
131.08546	0.6
133.06511	0.3
133.10143	0.3
135.11670	0.5
139.88086	0.3
141.27507	0.2
145.10110	0.5
149.05934	0.3
151.03860	3.0
153.01854	0.9
159.11670	0.3
161.05902	0.3
163.11266	0.3
165.05583	0.3
165.09238	0.2
173.09712	0.3
176.95360	0.3
189.05525	0.4
191.10664	0.3
217.04922	2.7
229.04996	1.4
245.04433	2.2
257.04327	0.6
257.20880	0.4
258.05194	35.6
259.05508	1.8
273.03870	2.7
286.04660	49.6
287.05066	2.8
289.57553	0.3
301.03476	6.5
301.06982	100.0
301.21725	1.0
302.03912	0.5
302.07278	5.4
302.10733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13761	0.2
52.17054	0.2
54.03450	0.4
55.01844	0.4
55.05486	0.8
56.05024	1.4
57.03425	0.3
58.06574	0.3
60.82919	0.2
67.05484	0.9
68.05024	1.5
68.99759	0.5
69.07062	0.5
70.06580	3.5
70.22744	1.0
71.04973	0.4
75.65634	0.2
79.05476	0.8
80.04991	1.7
81.03417	0.3
81.07037	1.4
83.04961	0.4
83.08607	0.3
84.04468	0.4
84.08140	0.2
90.09103	0.2
91.05464	0.9
93.07008	1.0
95.04945	1.3
95.08595	1.2
96.04457	0.7
97.06509	0.5
98.06040	2.0
100.03952	2.1
100.11228	0.4
102.05516	2.7
103.05458	0.2
105.03402	1.2
105.07011	0.7
106.06541	0.3
107.04926	4.3
107.08562	0.6
109.10123	0.5
111.04401	0.9
112.07593	0.4
114.05509	2.6
118.06503	1.3
119.08569	0.3
119.28038	0.2
121.02834	4.4
121.10191	0.5
122.09636	0.3
123.04396	0.7
123.11681	0.3
124.01545	2.0
124.03929	0.4
125.02325	0.5
127.03850	0.3
129.06927	0.4
130.06505	4.6
131.08530	0.4
132.04448	0.5
132.08063	3.5
133.02792	0.6
133.10091	0.3
134.03604	0.3
134.06001	0.3
135.11665	0.3
137.02289	0.3
141.05396	0.3
142.04967	0.8
143.07263	0.3
144.08031	1.9
145.10094	0.5
146.05966	3.0
147.04411	0.5
151.03831	1.3
156.08058	0.8
157.08702	0.4
158.05981	2.6
158.08321	0.3
158.09613	1.6
159.11662	0.4
160.07578	0.7
160.11159	1.7
161.05933	0.5
163.11119	0.4
167.03386	3.9
167.07266	0.7
168.08054	1.2
169.07567	0.7
169.08864	0.5
170.06001	0.3
170.09628	0.4
171.04381	0.3
171.06754	0.6
171.08002	0.3
172.07538	0.8
172.11182	1.5
173.09518	0.3
174.09091	0.3
174.12773	0.6
179.03355	2.3
180.08090	0.4
182.09691	0.4
183.09193	0.7
184.05128	0.4
184.07614	0.3
184.09854	0.3
184.11217	1.9
185.08409	0.4
186.09096	2.9
186.12778	1.4
188.07037	1.6
188.10646	1.7
189.05350	0.4
191.03278	0.3
191.10577	0.3
194.09587	0.2
195.09122	1.3
196.09659	0.3
196.11305	1.3
197.04411	0.5
197.10611	0.4
198.12689	0.5
199.07536	0.5
200.10672	2.0
202.12215	0.6
210.12813	0.4
212.04605	1.6
212.10683	3.4
214.12224	2.9
217.04918	2.1
221.11987	0.5
222.12701	0.6
227.03360	0.3
227.07030	1.5
227.15327	0.7
228.13873	0.4
229.04767	0.3
229.09691	0.4
229.13260	1.0
237.13782	0.3
239.15428	1.3
240.04086	0.5
241.04987	0.3
245.04398	1.9
245.08138	0.7
255.06427	0.5
255.14876	3.0
256.13080	0.3
257.04422	1.4
257.08490	0.3
257.16418	0.7
258.05194	10.6
259.05621	0.7
266.11682	1.5
272.06714	1.2
273.03888	1.9
273.07056	0.5
273.15720	0.4
283.06140	0.3
283.14368	1.0
283.20294	0.2
286.04666	6.8
287.04938	0.5
301.06995	100.0
301.15375	41.1
301.21207	0.9
302.04135	0.4
302.07339	8.9
302.15601	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.07
Annotation	Diosmetin
Peak:m/z	Relative Intensity
53.28257	0.0
55.01857	0.1
55.05502	0.1
57.03416	0.1
60.24552	0.1
65.03915	0.2
67.01834	0.1
67.05495	0.1
68.99780	0.2
69.03413	0.1
69.07044	0.1
70.06566	0.1
71.78948	0.1
79.05466	0.2
80.02617	0.1
81.03404	0.1
81.07025	0.2
81.94636	0.1
83.08606	0.1
91.05456	0.1
93.07005	0.1
94.04159	0.1
95.04941	0.7
95.08599	0.2
99.04420	0.1
103.05448	0.1
105.03378	0.4
105.07000	0.1
107.04935	3.5
107.08559	0.1
108.05758	0.1
109.02853	0.1
109.06533	0.1
109.10126	0.2
111.04416	0.4
115.05473	0.1
118.04119	0.3
119.04866	0.1
119.08556	0.1
121.02843	4.2
121.06507	0.1
121.10134	0.1
123.00769	0.3
123.04413	0.7
124.01545	1.7
125.02322	0.6
127.03954	0.1
128.06198	0.1
129.06985	0.1
131.04971	0.1
133.02826	0.5
133.10103	0.1
134.03604	0.5
135.04413	0.3
135.11612	0.1
137.02332	0.2
139.03830	0.1
141.05426	0.4
145.10086	0.1
147.04398	0.5
151.03886	1.3
151.05009	0.1
152.06294	0.1
153.01796	0.1
153.06984	0.1
157.06413	0.2
157.10069	0.1
159.11653	0.1
161.05901	0.1
161.09669	0.1
167.03372	4.9
168.03703	0.1
168.05678	0.2
169.06453	0.1
171.04373	0.2
171.08012	0.1
173.13240	0.1
175.03874	0.2
175.07533	0.1
176.04720	0.1
179.03365	1.5
180.03947	0.1
181.06424	0.1
184.05132	0.7
185.04428	0.1
185.05942	0.2
186.06462	0.1
189.05391	0.1
189.09190	0.1
191.03328	0.1
195.04384	0.1
196.05205	0.1
197.04425	0.8
197.05994	0.1
199.07570	0.4
201.05496	0.1
202.06250	0.1
203.03386	0.2
211.07462	0.2
212.02950	0.1
212.04643	1.5
213.05302	0.2
217.04883	0.5
217.08511	0.1
223.03763	0.1
227.03413	0.1
227.06985	1.5
229.04959	0.2
230.05711	0.2
231.06392	0.1
240.04152	0.3
241.04849	0.4
242.05583	0.1
243.06305	0.1
245.04346	0.5
245.08022	0.8
255.06432	0.7
257.04388	1.3
257.08231	0.1
258.05194	11.9
259.05634	0.6
268.03421	0.1
271.05829	0.1
272.06784	1.1
273.04166	0.5
273.07446	0.5
283.05963	0.2
286.04663	6.7
287.05020	0.3
301.06998	100.0
302.07333	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	300.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24737	0.6
55.01869	1.3
55.63510	0.7
65.03941	0.6
65.05083	0.6
66.61534	0.6
67.01855	1.2
67.14674	0.9
67.32058	0.7
68.99783	5.2
69.87318	0.6
70.07568	0.7
71.36323	1.6
79.05524	0.8
79.27017	0.7
79.52728	0.7
91.05499	1.6
105.03388	1.1
105.07058	1.6
107.04221	1.6
107.04939	26.2
107.05637	1.4
109.02884	1.2
109.20475	0.7
115.05455	4.1
117.59997	0.7
119.04884	1.0
121.02832	1.3
121.06506	3.1
125.48558	0.8
131.04913	0.9
133.02869	0.9
133.06520	2.0
137.02365	1.4
137.05984	2.4
143.04893	5.2
145.06505	2.4
147.04460	2.1
148.45447	0.8
153.01848	1.4
161.05975	3.3
162.75381	0.7
165.07047	1.1
171.04391	2.7
175.03835	1.0
175.07617	1.4
178.07788	2.6
179.08524	5.8
181.06476	0.8
189.05452	6.4
189.07045	2.4
190.07829	3.3
191.03427	2.3
191.08527	9.2
192.10204	1.6
193.06485	0.9
193.10121	1.1
194.07286	0.8
195.07974	1.4
202.07794	2.5
203.03329	3.3
203.08524	4.2
204.08951	0.7
205.06458	1.7
205.10066	2.1
207.08044	8.3
208.08669	1.2
209.09578	2.8
209.11520	0.7
216.04018	0.8
217.04909	36.4
218.07219	5.5
219.07985	11.8
220.08499	1.5
221.06078	3.6
221.09564	8.3
222.06725	1.2
222.10326	2.8
223.07535	2.4
223.11029	0.9
225.09166	1.4
231.02692	1.0
232.08676	0.8
233.09563	6.0
234.10355	33.0
235.07509	37.8
235.10779	2.0
236.08192	7.9
236.10690	1.7
237.09004	6.3
238.09773	1.5
239.07077	1.0
243.17839	0.7
245.04408	29.2
249.09029	2.5
249.11389	1.7
250.09862	52.5
251.10176	3.1
251.12776	1.3
255.02840	1.0
265.12210	100.0
266.12427	7.5
269.11685	4.6
273.03909	39.2
277.11948	0.7
280.13461	4.1
282.14813	2.5
300.15900	39.6
301.03387	78.9
301.16302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1589
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
54.33847	0.8
57.17995	0.7
70.28832	2.6
70.29232	1.5
103.59402	0.9
107.04939	17.9
107.94564	0.8
115.05381	0.9
120.04450	1.7
121.06461	1.3
123.88016	0.8
139.95299	1.2
145.06451	1.8
160.24197	0.8
162.08667	0.9
165.06897	3.9
166.47012	0.9
167.08543	1.5
168.96297	0.7
170.07007	0.8
175.07529	1.6
177.09042	0.9
178.07727	1.3
179.08534	3.3
181.06465	2.8
181.10095	1.0
182.07185	1.6
183.08051	2.7
184.00676	0.8
189.09090	1.0
191.08560	2.4
192.10297	1.1
193.06415	1.9
193.10181	1.1
194.07281	3.6
195.08043	4.2
196.05174	1.4
196.08763	2.6
197.05989	2.4
197.09518	2.6
198.06752	1.5
199.07503	1.3
205.06516	0.9
207.07993	6.1
208.08820	7.5
209.05986	3.7
209.09528	6.4
210.06694	2.5
210.10280	1.4
211.07503	9.9
213.09148	1.2
218.07140	1.0
219.07967	3.7
220.08736	0.9
221.05922	3.9
221.09538	4.2
222.06711	1.7
223.07422	4.0
223.11159	2.0
224.08310	16.3
225.05533	1.7
225.09068	11.1
226.09827	4.0
227.07047	1.9
235.07529	6.2
236.08267	11.4
237.09059	29.3
238.06259	1.4
238.09798	2.6
239.06973	14.5
239.10614	5.4
240.07791	5.4
240.11330	0.9
241.08551	7.3
242.09338	3.1
242.11642	1.3
250.09779	1.4
251.10738	4.2
252.11420	36.0
253.08551	21.8
253.11444	1.5
254.06789	1.8
254.09344	26.9
255.10020	10.4
256.10904	5.5
257.11682	4.6
265.08438	1.4
267.10071	1.7
268.07858	1.8
268.10883	34.9
269.11414	2.6
271.13025	1.2
283.09952	2.3
283.13220	38.7
284.13470	1.3
300.15881	100.0
301.16202	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	300.159
Annotation	Neopine
Peak:m/z	Relative Intensity
55.01855	1.1
63.00701	1.7
70.06573	2.4
70.41000	4.3
74.53914	1.0
77.02314	0.9
81.03382	3.7
82.03732	1.1
85.02892	1.2
86.09675	2.3
89.06025	1.0
89.38805	0.9
91.05462	3.8
92.05766	1.1
96.04501	1.4
104.75176	1.1
107.04937	8.8
108.44814	1.1
110.03175	1.0
114.02733	1.0
133.66629	1.1
136.06157	32.0
137.06551	2.0
139.03825	1.2
145.06485	1.6
147.04401	1.3
165.06963	4.9
167.08556	1.2
175.07362	1.1
178.07712	2.9
179.08440	4.9
181.06461	4.1
182.07182	1.1
183.07996	2.4
189.06949	1.7
189.09091	1.3
190.07852	1.8
191.08498	6.8
192.09265	1.2
193.06462	3.0
193.10077	1.9
194.07225	3.2
195.08061	7.5
196.05174	1.0
196.08807	2.4
197.05902	2.0
197.09599	3.7
197.12799	1.7
202.07745	2.5
203.08516	2.4
205.06429	1.3
207.08023	9.1
208.08812	10.0
209.05994	3.6
209.09595	6.8
210.06741	3.3
211.07530	9.1
215.10468	1.8
217.06558	1.8
218.07230	3.7
219.07991	9.5
220.08728	2.5
221.05962	4.8
221.09570	7.6
222.06718	2.2
222.10371	2.2
223.07616	5.9
223.11171	6.3
224.08334	12.5
225.05493	2.1
225.09052	11.1
226.09781	5.0
227.06920	1.7
233.09517	2.7
234.10384	17.8
235.07500	23.1
236.08397	11.2
236.10606	1.4
237.09055	24.2
238.09886	5.4
239.06973	12.0
239.10594	6.6
240.07773	4.7
240.11476	2.3
241.08539	3.8
241.12260	1.2
242.09261	2.8
245.04469	1.0
249.11412	2.2
250.09894	27.3
250.12119	1.0
251.06857	1.1
251.10565	8.7
251.12973	1.7
252.11438	27.2
253.08582	16.5
253.11713	2.5
254.09317	21.6
255.10103	6.7
256.10892	3.5
257.11615	3.8
262.61493	1.2
265.08771	2.2
265.12210	47.1
266.11777	8.6
267.09845	1.3
267.12570	2.7
268.07828	2.3
268.10880	24.5
269.11560	3.2
271.13068	1.3
280.13269	9.0
282.14847	3.5
283.09756	5.8
283.13199	33.1
284.13705	1.5
300.12494	3.4
300.15878	100.0
301.03156	2.4
301.16321	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	300.1074
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
59.04993	1.4
59.15263	0.2
69.03413	0.3
70.06557	0.4
71.45618	0.5
72.10037	0.2
85.02898	0.5
89.06006	0.4
91.05450	0.3
92.05009	0.3
94.06557	1.9
97.69326	0.2
103.05466	0.3
103.07568	0.4
110.06020	1.8
120.08081	5.4
120.12873	0.2
121.06499	1.2
121.08605	3.3
124.07571	0.3
135.04453	0.3
136.06155	0.3
137.05942	0.2
138.05479	100.0
138.09001	1.9
139.05829	1.6
158.36499	0.2
162.23108	0.2
163.03835	0.8
185.61604	0.2
193.03085	0.3
199.55162	0.3
228.98080	0.2
233.58795	0.3
238.60493	0.2
265.08765	0.4
300.05914	0.5
300.14539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
55.05494	0.4
55.88664	0.3
57.07045	0.5
61.02917	0.5
67.05485	0.5
69.03406	1.0
70.06580	1.9
71.80597	0.4
72.08131	0.6
73.02898	0.5
74.00655	0.5
79.05482	0.6
81.03415	0.7
81.07033	0.5
83.04985	0.6
84.08121	0.4
85.02892	2.4
85.06522	1.2
86.09626	0.4
86.99012	0.6
87.04330	0.4
88.03979	2.9
89.03882	0.8
91.05450	0.6
93.06979	0.5
95.04935	1.3
96.79052	0.3
97.02859	1.4
101.06021	0.5
103.05444	1.0
103.07557	0.9
107.04929	0.7
110.06002	0.5
111.04411	0.5
111.71371	0.3
114.05529	0.4
117.03316	0.5
118.06557	0.5
119.01913	0.5
119.04952	0.4
120.08067	1.6
121.01051	1.3
121.02908	0.5
121.06488	16.8
121.08509	0.7
122.09618	0.4
127.03894	0.5
131.04877	0.9
133.01044	2.1
134.06030	0.8
135.02637	0.6
135.04378	1.7
136.05058	0.4
136.06126	1.2
137.05956	7.4
138.05472	11.0
138.09094	3.6
139.03868	0.9
145.04865	0.6
146.03632	1.0
146.05983	1.5
147.04398	0.6
149.00543	12.2
149.05902	0.5
150.01285	2.4
150.05470	0.7
151.02087	1.4
151.07533	0.6
152.06999	1.3
153.05424	0.4
153.07419	0.6
156.97353	0.6
161.00542	4.9
161.02878	0.5
161.05954	2.5
161.32100	0.4
162.05467	1.4
162.06699	0.6
163.02129	1.4
163.03874	5.1
163.07478	0.6
165.07864	0.5
168.05119	1.9
169.39537	0.4
176.07179	0.3
177.07813	5.4
178.00807	13.0
179.01556	1.0
181.03178	3.3
183.04671	0.6
187.02150	0.7
187.04538	0.6
193.03162	100.0
194.03438	3.1
197.02930	0.5
198.98528	4.0
215.03915	0.5
216.99628	1.8
228.99596	0.7
236.07396	0.7
250.05301	1.2
265.05334	0.6
270.07889	2.1
275.06104	1.0
282.07925	7.5
282.13028	0.9
283.05276	0.4
300.04990	2.0
300.10672	2.1
300.14514	1.2
300.19312	0.7
301.08722	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1999
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
55.01863	0.6
55.05497	3.1
57.07064	2.5
60.87707	0.5
61.39785	0.4
65.03921	0.7
67.05488	3.0
69.03400	1.6
69.07046	2.2
71.04950	0.6
71.08615	1.1
75.71430	0.5
79.05477	3.4
81.03400	1.8
81.07046	4.3
83.04948	1.7
83.08595	2.7
84.04456	0.9
84.08151	0.6
91.05460	20.8
92.05793	0.6
93.07026	5.8
95.04961	1.5
95.08575	5.5
97.06499	0.7
97.10187	0.5
103.05436	1.2
105.07013	12.2
107.08579	6.3
109.02805	0.6
109.06506	1.7
109.10124	1.3
111.08057	0.5
115.05421	1.7
116.06228	6.3
117.06997	1.6
119.04923	5.4
119.08559	11.9
120.08849	0.6
121.06473	1.2
121.10128	6.5
123.08033	1.8
123.11679	1.0
125.09610	2.2
128.06187	0.7
129.06966	6.9
131.08540	37.8
132.08899	1.4
133.06461	0.8
133.10124	3.1
135.08040	2.0
135.11673	0.7
141.06972	0.7
142.07744	2.1
143.08546	2.8
145.06389	0.7
145.10078	3.0
145.81471	0.5
147.07994	1.2
147.11670	1.4
149.09607	4.2
155.08510	1.8
156.06543	0.7
156.09343	2.0
157.10110	4.5
159.08026	100.0
159.11670	1.9
160.08374	3.4
161.09573	1.7
161.13219	0.6
165.06932	0.7
167.08519	0.5
167.10648	0.9
168.09232	0.6
168.17015	0.5
169.10100	2.6
171.11682	4.7
173.09607	0.9
173.13242	1.0
175.11171	1.5
176.12004	1.0
182.10841	0.5
183.11673	1.6
185.09546	1.3
185.13220	0.9
187.11195	1.5
189.12703	2.9
191.14278	0.6
192.09161	0.8
193.10097	1.4
195.11714	1.1
197.13211	3.5
199.11198	4.3
199.14787	1.5
201.12749	1.5
206.10913	1.1
207.11646	2.0
209.13208	0.9
211.11223	0.8
211.14790	1.3
213.12703	1.1
215.14337	0.9
221.13171	1.2
223.14819	1.9
225.12782	3.4
225.16179	0.6
233.13116	0.7
237.16437	0.5
238.13565	0.7
239.14287	1.1
239.17978	0.8
239.58678	0.5
240.14990	0.6
241.15866	0.6
243.13760	1.6
248.15587	0.8
253.19417	1.3
255.21080	0.7
257.18979	2.0
263.17917	2.7
281.18958	20.5
282.19339	0.9
299.05621	1.8
299.20004	40.8
300.17685	1.1
300.20468	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1849
Annotation	Tetranor-PGD1
Peak:m/z	Relative Intensity
53.00331	0.3
53.03998	0.9
55.01929	1.0
55.05562	2.8
57.03470	0.7
57.06823	0.6
57.07124	5.9
61.02952	0.7
67.05563	5.3
69.03478	1.3
69.06720	0.7
69.07121	4.5
69.49753	3.2
71.01419	1.1
71.05045	1.0
71.08620	6.6
79.05475	2.1
81.03408	2.6
81.07045	7.0
82.06599	0.5
83.00689	0.3
83.01379	0.5
83.04966	1.8
83.08617	1.6
85.02885	2.0
85.06609	0.3
85.10166	2.7
87.00883	0.5
91.05540	1.1
93.07037	1.7
95.05040	1.2
95.08591	6.6
97.02867	1.5
97.06567	0.6
97.10252	0.5
99.04443	3.8
105.07018	1.4
107.05032	0.5
107.08599	1.4
109.06593	0.7
109.10104	1.5
110.03713	0.4
110.49774	0.3
111.04495	1.2
111.08167	0.3
113.02422	1.0
113.06021	0.3
119.08650	1.0
121.10186	0.7
123.04498	0.4
123.08156	0.7
125.02399	0.4
126.03107	2.6
127.03893	3.5
133.10162	0.5
135.11775	0.6
137.06029	0.4
137.09665	0.4
137.13251	0.7
139.03973	0.8
145.10156	0.4
149.13423	0.3
151.07594	0.4
155.07022	0.4
155.14302	2.8
155.15300	0.3
166.05812	0.3
195.17424	0.8
197.13477	0.6
197.15320	4.3
197.17000	0.4
203.40828	0.3
210.18483	0.6
211.16879	3.2
223.16902	9.7
235.16866	0.6
239.16388	58.8
240.16763	1.3
253.17958	100.0
254.18361	2.2
256.19080	0.6
281.17419	2.9
299.05496	0.7
299.18442	16.1
299.30823	0.4
300.18686	0.5
300.21802	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	299.1635
Annotation	Auraptene
Peak:m/z	Relative Intensity
55.05500	0.5
57.03415	0.3
57.07051	0.9
63.12122	0.2
65.03931	0.4
67.05499	1.7
68.99750	0.3
69.07046	1.7
69.68089	0.5
69.68501	1.9
71.08599	0.5
79.05473	1.3
81.07042	11.0
83.08604	0.4
85.10164	0.2
91.05463	7.2
93.07051	0.5
95.04932	0.5
95.08591	4.7
97.10126	0.4
103.15554	0.3
105.03345	0.3
105.07013	0.4
107.04937	11.5
107.08581	0.4
108.05260	0.3
109.10122	0.8
115.05546	0.2
119.04916	8.7
119.08566	0.6
120.05200	0.3
129.06993	0.4
133.10100	0.4
135.04375	1.0
137.13211	2.7
145.06427	0.2
151.11092	0.3
157.06494	0.4
159.08064	0.5
163.03871	100.0
164.04202	2.6
169.10086	0.3
173.06029	0.4
173.13185	0.3
187.07527	1.2
189.05435	0.8
195.06517	0.3
201.05505	0.4
203.06984	0.6
215.06940	0.4
237.45598	0.3
276.16055	0.3
299.16660	0.4
299.20001	1.3
299.23392	0.4
300.16071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53484	2.3
53.00282	8.0
53.03926	3.3
55.01854	11.0
55.05251	4.0
55.05502	40.0
57.03431	29.6
57.07052	8.7
59.04980	10.4
61.69141	2.3
67.05493	33.5
69.03407	5.2
69.07056	11.4
69.42632	2.4
71.01344	5.5
71.04974	4.6
71.08620	5.3
79.05470	22.1
81.03404	12.5
81.06583	4.1
81.07042	52.3
83.04962	7.2
83.08601	28.0
85.06522	3.9
91.05464	41.8
93.07030	29.6
95.04961	9.1
95.08604	18.4
97.02872	9.3
97.06505	6.6
97.10172	4.7
99.00800	57.4
103.05472	3.6
105.07011	39.4
107.04951	11.4
107.08578	16.6
109.02848	16.5
109.06498	8.7
109.10128	15.2
111.04419	5.4
111.08067	6.5
115.03918	6.7
117.07004	4.8
119.08542	23.5
121.06481	12.5
121.10083	4.1
123.11678	8.4
127.03905	10.2
128.06175	5.0
129.06961	2.9
131.08546	4.8
133.06459	4.2
133.10107	71.1
135.08025	5.8
135.11641	2.9
137.05916	3.6
137.09607	4.6
139.07523	6.7
143.08542	10.8
145.10037	4.3
147.08046	3.7
151.11145	27.0
161.09589	47.5
164.22302	2.5
171.08028	8.1
179.10643	37.1
189.09096	30.9
197.11729	9.1
207.10028	14.4
225.11180	40.8
235.03963	2.7
243.12109	5.9
244.98242	2.6
245.00858	2.6
299.14838	100.0
299.20132	4.9
299.23386	3.0
300.15106	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	9.3
53.03927	3.5
53.57164	1.8
54.20152	1.6
55.01857	5.0
55.05260	2.5
55.05503	34.6
56.86430	1.5
57.03427	21.8
57.07052	5.1
59.04974	7.6
62.06047	2.6
63.80550	1.7
67.05495	18.7
68.85751	1.7
69.03406	4.4
69.07049	7.7
71.01345	3.9
71.05003	2.1
71.08602	3.2
71.79624	3.1
73.02911	1.7
78.50222	1.4
79.05077	1.8
79.05476	11.9
81.03387	5.8
81.07039	34.1
81.78529	2.1
83.04955	4.3
83.08617	22.8
83.09075	3.1
85.06532	3.0
91.05463	31.6
93.07025	24.5
95.04948	7.7
95.08591	10.8
97.02882	9.2
97.06512	5.2
97.10170	3.4
99.00795	45.6
103.05452	3.2
105.07008	28.3
107.04926	9.1
107.08566	12.2
109.02867	15.1
109.06499	5.7
109.10134	11.8
111.04459	2.7
111.08080	5.6
115.03900	3.8
117.06989	7.5
119.04842	1.7
119.08570	22.1
121.06474	13.5
123.04372	3.3
123.08048	3.3
123.11668	3.8
127.03901	6.7
128.06221	2.9
129.06964	3.3
131.08553	3.7
133.06467	2.8
133.10112	60.3
135.08017	2.8
135.11646	2.0
137.05937	2.6
137.09576	3.3
139.07481	3.2
143.08540	6.6
145.10103	4.0
147.07927	2.0
151.11157	19.3
161.09619	35.2
161.10921	1.2
163.11026	2.0
165.09114	2.1
171.08000	5.3
171.11664	2.0
179.10645	26.9
189.09085	23.7
197.11707	9.1
207.10112	10.5
210.64969	1.7
225.11195	40.3
226.11617	1.8
239.07120	1.9
243.12263	6.9
271.16910	3.0
299.14862	100.0
299.19891	11.9
299.23495	3.3
299.27911	2.5
300.15305	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	299.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65864	0.6
55.05481	2.0
57.07062	0.8
67.05492	0.8
69.07037	1.5
70.95824	1.4
71.08387	0.9
81.07050	1.3
83.04961	2.8
83.08601	0.9
85.10187	0.6
92.92106	0.6
95.08578	1.1
96.29208	0.6
98.37835	0.6
98.97569	0.6
101.00870	1.1
103.02412	2.4
107.08549	0.6
109.10133	0.9
111.04415	2.0
111.07981	0.6
113.05962	1.2
119.01907	12.4
119.08406	0.6
120.01952	1.0
121.03469	2.9
127.07543	0.7
137.02956	5.9
143.05511	3.3
145.03468	4.6
147.05020	4.1
155.07011	13.0
157.07086	2.7
159.05011	1.6
161.06586	8.2
163.04500	7.0
165.06061	3.7
169.07072	1.7
171.05009	2.4
173.06566	1.8
175.06755	0.9
175.08148	10.5
177.00941	3.1
177.19228	0.6
178.01035	1.4
179.00664	1.2
179.98332	0.7
182.36710	0.7
183.05025	0.8
185.06592	6.5
187.04478	1.6
187.08121	10.2
189.06055	13.1
190.06165	0.6
192.94969	0.6
195.05060	1.4
201.06007	0.8
201.09706	2.2
203.07654	3.7
205.05501	1.1
207.07167	1.5
209.95987	1.8
210.95811	1.0
211.04486	3.2
211.08160	1.1
213.06055	6.3
213.09654	4.0
217.18690	0.6
219.02002	7.2
220.02045	2.2
221.01881	1.3
222.01958	1.9
227.07567	0.9
229.05614	2.7
231.07115	4.2
231.10634	1.3
233.96049	1.0
234.95872	1.0
236.07498	0.7
239.07529	1.2
251.97063	1.9
252.96980	2.5
255.07144	3.9
255.10681	5.1
255.20932	0.7
256.97556	1.3
257.08676	4.2
257.15884	0.7
261.03061	1.4
262.03119	4.1
263.02966	0.7
266.99908	1.2
267.95444	1.1
275.09833	1.1
275.97046	3.4
276.04373	1.0
276.96927	3.5
277.00299	0.7
283.02957	1.3
293.98175	2.4
294.97931	3.1
295.03558	0.6
299.06265	6.9
299.09695	100.0
299.25751	1.1
300.06522	1.2
300.09879	7.2
301.05756	1.1
317.07162	0.5
317.10709	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	298.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05505	2.9
56.05009	0.4
57.03413	0.5
57.07067	6.9
58.06583	0.3
59.04972	1.4
62.44280	0.3
67.05500	2.7
68.04997	0.9
68.44640	0.4
69.07061	3.0
69.60672	3.9
69.60957	0.3
70.02957	2.6
70.06580	3.3
71.08620	7.9
72.08140	2.4
79.05463	1.3
80.04984	1.7
81.07041	7.3
82.06582	1.7
83.08586	1.3
84.04480	0.4
85.10181	4.2
93.07007	0.9
94.06553	0.4
95.08596	6.1
96.04462	0.6
97.06487	0.4
98.06013	1.0
98.09679	10.2
98.20643	0.7
100.11233	0.4
108.08093	0.9
109.10149	1.0
110.09643	0.5
120.08080	0.6
122.09635	1.0
126.09154	2.4
136.11179	1.2
137.13174	0.5
139.04619	0.4
144.10194	4.2
155.14290	1.1
180.66270	0.4
182.11812	0.4
192.17400	0.6
194.19060	0.8
196.16954	1.1
198.18498	1.2
210.18547	0.5
234.22166	3.9
252.23193	63.1
253.23534	1.9
298.23727	100.0
299.24045	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	298.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.6
56.05024	0.6
57.07068	14.7
67.05492	4.5
68.19444	0.4
69.03422	5.5
69.07070	3.0
69.69473	2.4
69.69892	1.3
70.06563	0.7
71.04978	0.7
71.08282	0.6
71.08624	5.9
72.08186	0.4
72.97900	0.5
79.05471	1.8
80.61375	0.4
81.07046	4.2
82.06576	2.8
83.08582	1.6
84.08130	4.1
85.10170	5.8
86.06030	1.2
86.09576	0.5
87.04451	5.9
91.05455	0.7
93.07009	1.7
94.06565	2.8
95.08598	8.2
96.04512	0.4
98.06024	1.0
98.20673	0.6
105.07005	0.8
107.08596	1.0
109.10148	3.4
112.07590	54.3
113.07919	0.7
114.05536	0.6
119.08562	1.5
121.10081	0.5
124.07559	0.8
130.08617	12.0
131.08562	0.8
133.10109	1.1
135.11577	0.5
136.06172	1.3
140.37057	0.5
145.10049	0.6
147.11729	0.5
150.09146	0.7
153.18535	0.5
157.09969	0.4
159.11707	0.6
169.15878	1.4
197.13144	0.5
212.20042	4.6
213.12888	0.4
239.17973	0.4
271.17014	0.5
277.13818	0.8
280.22678	2.7
280.82715	0.4
298.23727	100.0
299.20044	3.2
299.24051	3.9
306.12189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2008
Annotation	N-(3-Oxododecanoyl)homoserine lactone
Peak:m/z	Relative Intensity
53.03922	0.6
54.58845	0.6
55.01849	1.3
55.05496	3.4
56.05009	2.0
57.07066	4.5
60.04501	0.7
67.05493	5.7
69.07054	3.7
70.06564	1.2
70.34702	2.7
71.01328	1.5
71.08614	4.1
72.04480	0.9
72.22861	0.5
79.05455	2.0
80.05000	6.1
81.07046	4.2
82.06557	3.8
83.04941	1.0
83.08583	1.7
84.04475	1.0
85.02867	1.2
85.10162	1.6
87.04486	0.7
90.05544	0.8
91.05457	1.8
92.14287	0.5
93.05760	1.0
93.07032	2.0
94.02895	1.8
94.06548	4.8
95.04925	1.0
95.08586	4.0
96.04515	0.8
97.10150	0.6
98.06040	10.4
102.05481	0.9
105.06995	1.3
107.08563	1.9
108.04442	1.2
108.08092	6.8
109.06467	0.7
109.10112	1.3
110.06018	12.7
117.06989	0.8
119.08535	3.2
121.10086	1.2
122.06002	1.6
124.07558	1.0
126.05492	6.8
128.06981	0.7
131.08514	1.5
132.07996	0.6
133.10159	1.0
135.06540	0.5
136.06174	2.5
136.07541	8.8
137.05820	0.5
137.13278	0.6
138.09109	1.8
144.06528	3.4
146.09628	0.8
148.91693	0.5
150.09109	0.8
154.08571	1.2
156.05305	1.0
156.06528	10.4
158.53572	0.5
163.14784	0.7
163.60144	0.6
172.06050	0.7
182.08102	14.0
197.15271	1.6
206.18915	1.2
216.17485	1.5
224.19984	0.8
234.18510	7.6
252.19620	6.7
252.22264	0.8
262.17972	0.8
280.19037	8.0
280.22452	1.5
281.19113	0.7
298.11179	1.6
298.20081	100.0
299.20212	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	298.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04505	4.8
69.07021	1.4
71.81654	1.9
76.69060	1.3
81.07042	1.5
107.04909	2.7
110.36455	1.2
136.06166	7.6
137.02417	1.5
153.01796	1.6
165.06918	1.7
178.07649	1.6
179.08455	3.4
189.06905	6.3
190.07735	9.5
191.08530	94.0
192.08879	4.5
194.07195	3.0
195.07967	2.8
202.07765	1.4
203.08472	3.7
205.06458	10.7
205.10045	2.2
206.06834	2.4
207.08047	6.3
208.08737	6.2
216.05705	1.9
217.06448	19.8
218.07133	4.4
219.08022	78.8
220.08711	13.4
221.09532	1.7
223.07524	9.9
231.07971	1.7
232.06488	1.6
232.08807	39.1
233.05952	44.8
233.09500	4.9
234.06352	3.9
235.07469	4.3
236.08292	16.8
237.09048	21.5
238.09862	10.6
248.08313	55.2
248.10628	2.4
249.08939	10.3
250.09818	5.2
251.06837	3.2
251.10649	92.9
252.07394	1.9
252.10965	5.0
253.08716	1.3
257.62656	1.3
263.10641	100.0
264.10983	6.8
266.09198	7.8
267.09991	2.3
280.13284	39.3
281.11472	15.6
286.89523	1.3
298.07272	2.3
298.10980	5.2
298.14322	73.8
299.05603	3.8
299.09262	1.8
299.14694	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	298.1432
Annotation	Tuduranine
Peak:m/z	Relative Intensity
50.63189	0.5
52.92509	0.5
71.24819	1.4
76.00558	0.5
84.71288	0.5
105.43454	0.5
107.04906	1.7
108.15249	0.5
121.06490	0.7
123.97689	0.5
130.06375	0.6
134.05904	0.5
145.05193	0.8
146.05983	11.7
150.06715	1.2
160.07553	17.6
161.08336	47.6
162.05466	1.5
162.08772	2.3
165.06960	1.3
165.09091	2.4
166.07722	1.4
167.08530	1.1
171.73938	0.5
175.06242	1.7
176.07045	3.2
177.07860	3.1
178.07782	1.2
179.08528	1.9
181.06459	0.9
181.10065	0.6
183.08005	0.5
190.06981	0.8
190.08626	12.2
191.09392	0.7
192.10170	42.2
193.10455	1.4
194.07249	3.9
195.07994	4.6
196.08691	1.1
205.06465	0.7
206.07217	0.5
207.07988	2.9
208.08598	1.6
209.05966	0.6
209.09557	2.0
210.10405	2.5
211.07516	2.7
212.08298	0.6
212.18723	0.6
219.07971	0.7
220.08258	0.7
221.05899	0.9
221.09573	0.9
222.06741	4.7
222.10315	2.7
223.07486	7.0
223.10823	0.6
224.08109	0.8
225.09140	1.0
226.09813	1.7
235.07440	1.6
237.09070	2.3
238.06294	0.7
238.09851	15.0
239.06981	3.8
239.10240	0.9
241.08447	1.1
241.12173	1.0
249.09142	0.9
249.11511	0.6
250.09903	3.8
253.08490	1.5
253.12125	3.6
254.09323	10.4
254.11975	0.9
266.09000	3.6
266.11472	0.6
267.09973	1.2
268.09851	0.7
269.11691	13.0
270.11945	1.0
281.08469	0.8
281.11670	5.6
283.09085	1.4
298.11505	4.8
298.14325	100.0
299.14661	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	298.0964
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
53.01168	0.1
54.23035	0.2
57.03418	0.2
59.16026	0.1
61.00843	0.3
61.01141	4.8
62.36337	0.1
69.03402	0.4
69.46176	0.2
69.46583	1.2
75.02692	2.2
76.17686	0.1
84.40817	0.1
93.56770	0.1
94.04065	0.3
97.02878	1.4
102.87095	0.1
103.02148	0.4
104.33568	0.1
115.03864	0.3
118.77742	0.2
119.03519	0.6
121.16514	0.1
134.01788	0.2
136.06160	100.0
137.04538	0.5
137.06598	1.5
145.03151	1.2
151.35574	0.1
163.04202	1.5
238.07576	0.2
298.09671	5.7
299.09985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1433
Annotation	Oripavine
Peak:m/z	Relative Intensity
61.09367	0.5
64.13376	0.6
70.98019	0.9
70.98361	0.9
84.08108	0.7
132.08055	1.9
136.06148	2.7
136.27045	0.5
152.06096	1.3
160.07550	3.4
162.05533	0.5
163.07542	1.6
165.06960	2.0
166.07739	1.0
167.08528	7.2
168.08891	0.8
175.06216	1.0
176.07002	0.7
177.06920	4.3
181.06439	1.7
181.10094	1.2
190.08571	2.1
191.08539	1.4
192.10173	3.7
193.10544	0.5
194.07202	3.3
195.08032	19.1
196.08383	0.9
197.05952	0.5
204.10178	4.6
205.06453	1.1
206.06877	0.8
207.08081	1.2
208.05103	0.9
209.05916	1.5
209.09604	4.6
212.08315	1.0
213.09181	0.5
219.08005	2.1
221.06113	0.5
221.09500	0.8
222.06699	1.4
223.07500	29.9
224.08009	2.9
225.05344	1.5
227.06996	1.2
235.07494	2.3
237.09074	6.0
239.10625	1.4
240.07756	2.0
248.12572	1.0
249.09044	0.6
254.09377	1.5
255.10133	28.5
256.10507	1.9
266.13846	0.7
267.10080	0.6
269.11658	6.6
269.83075	0.6
280.06714	1.0
298.14319	100.0
299.05563	0.7
299.14667	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.3
55.05501	11.6
57.03428	18.0
57.07066	44.7
62.16460	1.7
67.05494	19.1
69.03415	6.4
69.07066	11.9
70.67801	5.6
71.08619	61.1
73.02894	4.0
79.05473	6.3
81.07042	41.4
83.04968	100.0
83.08584	3.9
84.05276	1.7
85.02892	17.1
85.10168	31.9
91.05441	3.1
92.83557	1.8
93.07008	5.7
95.04997	2.0
95.08587	42.9
95.09180	3.0
97.06537	3.0
97.10183	2.5
99.08081	7.3
101.37804	1.9
105.07026	2.0
107.08524	3.7
109.06472	1.8
109.10146	2.5
121.10130	2.0
123.08028	3.2
125.09610	73.1
135.11638	2.0
137.13242	5.3
155.14279	57.7
169.37019	2.0
199.16904	73.1
251.23570	9.5
253.21579	18.9
297.24231	5.9
310.23209	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.0
57.07067	14.3
59.04990	1.0
67.05499	8.0
69.07072	5.8
70.02927	1.5
70.06577	4.8
71.08627	17.7
71.35522	1.1
71.81404	1.9
72.07761	2.0
72.08147	29.5
79.05482	3.8
81.07046	17.8
83.08599	3.9
85.10175	9.6
91.05475	2.8
93.07024	4.3
95.08596	14.8
95.53862	1.2
96.08080	1.5
97.10134	1.5
98.06001	1.7
98.09682	58.3
99.09991	1.2
103.05501	1.5
105.06997	1.8
107.08566	4.0
109.10145	3.4
112.65716	1.3
119.08542	1.9
121.10104	2.5
122.09699	1.4
123.08015	1.2
126.09109	1.9
127.07769	1.6
127.08642	8.5
135.08051	3.5
135.11703	2.2
136.06151	3.2
143.11783	31.1
151.83286	1.4
155.14285	5.5
158.52025	1.1
163.07512	1.5
171.11685	2.0
191.14319	8.1
198.18533	3.5
205.15845	1.2
206.89122	1.0
216.43015	1.2
233.15356	8.8
234.22202	3.4
252.23207	100.0
253.23566	2.0
265.08740	1.6
279.19684	1.5
279.23242	3.4
280.22705	13.3
297.11026	1.6
297.17963	2.4
297.25357	56.0
298.25787	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2419
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.01844	6.3
55.05482	20.7
57.07065	71.3
64.21727	5.8
67.05491	40.9
69.03387	5.9
69.07040	24.6
70.38705	18.1
70.39122	11.8
71.01342	12.1
71.04964	10.0
71.08622	89.4
79.05473	17.9
81.07041	93.6
83.04941	10.2
83.08598	14.4
85.06487	8.8
85.10162	50.7
91.05434	6.9
93.07059	11.9
95.08597	82.4
96.26462	6.2
97.06490	7.9
97.10160	9.1
98.21423	6.1
99.08079	94.4
105.07018	8.3
107.08570	16.3
109.06511	24.8
109.10139	11.1
111.08035	6.8
113.06000	6.5
121.10106	7.8
123.11697	9.4
125.09609	63.5
127.07534	74.1
136.06207	9.6
137.13196	10.3
147.11687	6.7
155.14275	72.9
162.07668	5.1
195.11732	5.4
197.15326	76.9
252.23213	13.1
265.08633	9.5
279.23169	100.0
280.23431	9.0
297.11142	16.1
297.24359	96.0
298.23849	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	297.2208
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
53.03930	6.3
54.32735	4.0
54.60301	4.4
55.05495	16.8
57.07050	12.4
58.78416	4.5
67.05177	5.2
67.05481	27.1
69.07052	31.1
69.83891	10.6
69.84295	28.3
71.08605	9.2
79.03203	4.4
79.05487	31.5
81.07042	64.3
83.04984	10.1
83.08598	11.6
83.32323	4.2
85.71386	3.9
91.05461	22.3
93.07024	55.5
95.04952	20.1
95.08596	87.9
97.06504	13.1
105.07021	75.5
107.08574	47.8
107.57771	4.6
109.06461	10.5
109.10143	25.3
117.06989	7.4
119.08570	51.7
121.06487	17.3
121.10120	100.0
123.08080	5.4
123.11685	58.4
129.07036	5.8
131.08540	18.3
133.10124	51.9
135.08002	8.5
135.11679	16.0
136.06158	5.8
137.13203	7.5
142.07738	17.8
143.08557	14.2
144.09317	4.5
145.10120	42.8
147.08051	6.7
147.11665	27.3
157.10103	59.0
159.11670	18.4
161.09584	24.3
161.13229	5.2
161.19075	5.1
167.08577	6.8
169.10042	5.4
171.11664	9.1
173.09598	6.3
173.13274	16.1
175.11211	28.6
175.14774	13.3
181.10143	5.1
183.11632	5.7
185.13223	7.5
187.14818	10.5
195.11589	4.7
197.13303	6.9
199.14793	6.7
201.16394	11.0
209.13222	11.3
213.16463	5.4
223.14830	12.6
228.23190	7.8
237.16417	4.8
241.15932	9.3
245.17868	4.4
250.89363	12.8
273.90887	10.9
275.43475	4.4
279.21002	8.0
297.19089	6.8
297.22098	46.3
297.29831	18.4
298.30893	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1117
Annotation	Strobochrysin-dimethylether
Peak:m/z	Relative Intensity
54.16177	0.2
55.01870	0.2
59.62367	0.2
67.05493	0.3
68.99758	0.2
69.07040	0.2
69.46888	1.1
69.47323	0.9
85.02869	0.2
91.05458	0.3
95.04919	0.2
95.08580	0.2
98.20644	0.4
105.53397	0.2
107.04903	0.6
135.04321	0.2
136.06154	0.4
141.06973	0.3
153.06914	0.4
155.08464	0.2
160.07562	0.2
163.03883	0.3
165.06923	2.0
166.07718	1.6
167.08514	0.6
176.06160	1.6
177.06953	8.1
177.08495	0.4
178.07747	0.9
179.08516	1.4
180.05647	0.2
181.06450	0.7
181.10109	0.8
183.07997	1.0
187.04039	0.2
187.07671	0.2
189.06987	1.8
190.07681	1.3
191.08513	4.2
192.10208	0.4
193.06403	1.1
194.07236	11.7
195.07970	1.4
197.05974	0.4
202.07788	0.2
204.05646	1.4
205.06453	31.3
206.07008	1.7
207.08029	2.1
208.08801	0.8
209.05966	0.2
209.09552	2.3
211.07506	3.2
213.05476	0.3
218.07193	0.7
219.04366	0.4
219.08011	2.8
220.08714	0.2
221.05896	1.6
222.06714	18.6
223.07381	1.6
224.08218	0.4
225.05449	0.6
225.09102	0.5
226.09834	0.7
232.05211	0.4
233.05937	28.9
234.06575	3.6
235.07494	1.9
236.08461	1.0
236.10367	0.2
237.09064	28.5
238.06491	0.3
238.09529	1.5
239.07002	5.7
240.07704	1.2
241.04924	0.3
241.08435	0.4
247.07465	1.0
249.05498	0.3
250.06206	8.3
251.06982	2.8
253.08534	0.8
254.09346	3.5
255.10060	0.3
257.61795	0.2
263.06937	0.3
264.07739	0.5
265.08551	100.0
266.08966	4.5
267.06491	2.9
267.10089	1.0
269.04419	0.5
269.11865	0.3
281.08389	0.4
281.11636	1.2
281.14413	0.2
282.08801	6.7
283.09088	0.3
297.03940	2.3
297.07870	1.9
297.11148	56.6
298.11398	2.6
298.14417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2215
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
52.55068	0.2
53.00288	0.3
53.22502	0.2
55.05504	1.0
56.05025	0.4
57.03431	0.2
57.07065	7.5
67.05496	2.6
68.05008	0.5
68.77409	0.2
69.03407	0.5
69.07056	1.8
70.06581	10.3
71.00494	0.3
71.00826	0.3
71.04990	0.4
71.08619	9.3
79.05482	1.4
80.04989	0.7
81.07043	4.8
82.06553	0.5
83.08608	0.4
84.04462	0.4
85.06489	0.3
85.10165	5.8
86.06087	0.2
86.10469	0.2
91.05479	0.4
93.07013	0.7
94.06560	0.5
95.04979	0.2
95.08595	5.2
96.04491	0.4
96.08116	8.7
98.06041	0.5
104.73860	0.2
105.05767	0.2
105.07024	0.2
106.06538	4.5
107.08586	0.3
109.10150	0.4
114.05510	0.6
114.08356	0.2
114.09151	3.3
116.02882	0.2
118.06512	0.3
120.08090	1.2
121.10128	0.3
124.07575	3.2
124.08417	0.3
134.09627	0.7
136.07552	0.4
137.13240	0.5
138.09117	0.7
140.07063	0.6
142.08612	39.7
143.08957	1.0
153.50967	0.1
155.14293	1.0
168.06589	0.2
180.10197	0.6
187.14835	0.4
205.15863	0.2
225.20468	0.2
232.20570	2.3
243.26398	0.2
250.21628	26.8
251.22000	1.9
255.61682	0.2
265.12244	0.2
278.21100	0.3
296.22159	100.0
297.22501	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	296.1641
Annotation	Nuciferine
Peak:m/z	Relative Intensity
53.12169	0.4
56.64948	0.4
57.36609	0.5
58.55135	0.4
67.57126	0.4
70.97294	1.6
70.97657	0.7
178.07841	0.7
179.08502	2.7
189.06944	1.0
190.07762	1.5
191.08566	3.5
192.21695	0.5
202.07739	1.2
203.08537	4.1
204.09297	0.9
205.06461	1.0
205.10048	2.3
206.07184	0.9
207.08037	5.3
215.08469	0.6
217.06430	1.5
218.07272	4.2
219.07997	7.4
221.05969	2.7
221.09534	4.4
222.06715	0.8
222.10318	1.9
232.08760	0.5
233.09576	6.1
234.10355	29.3
235.07506	29.6
235.10823	1.8
236.08182	6.1
237.08966	1.3
238.09711	0.7
249.09023	1.7
250.09850	45.9
251.10210	3.3
265.12201	100.0
266.12540	7.6
281.06833	0.6
296.09430	1.1
296.16415	42.5
297.16742	3.3
316.71564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93087	0.9
69.80473	7.1
77.65172	0.9
109.39058	1.0
117.04225	1.0
135.44437	0.9
178.07764	1.7
179.08530	3.8
190.07669	1.9
191.08528	3.8
202.07817	1.1
203.08496	3.7
204.08038	14.4
205.06525	4.5
205.08282	1.2
205.10088	2.4
206.07233	1.4
207.07988	5.7
208.08783	6.7
209.05956	4.6
213.05412	3.1
217.06578	1.4
217.08817	1.2
218.07251	4.1
219.07979	9.4
221.05872	4.5
221.09581	4.1
222.10255	1.5
223.07417	0.9
224.08311	8.4
232.07590	11.5
233.05916	4.7
233.09560	3.5
234.10361	28.8
235.07521	32.2
235.27782	1.0
236.08252	7.2
237.09140	1.3
239.10638	33.8
241.04913	1.1
247.09891	30.3
248.08430	16.3
248.10664	2.0
249.05434	6.1
249.08987	2.1
250.09850	50.9
251.10506	3.5
263.09363	1.2
264.07797	7.2
265.12204	100.0
266.12433	2.0
269.04568	1.4
278.11734	6.7
279.10132	13.8
281.99063	1.1
296.09476	1.3
296.12772	11.6
296.16388	42.5
297.03870	12.8
297.16763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03928	3.8
55.01863	11.5
55.05501	27.5
57.03413	4.0
57.07066	22.8
67.05493	67.5
69.03423	3.4
69.07056	33.2
70.34614	5.9
70.35027	3.9
71.04961	5.0
71.08624	61.9
78.28855	1.7
79.05480	55.2
81.03395	8.4
81.07043	83.4
81.07528	4.1
82.07330	2.2
83.04986	10.1
83.08599	35.1
85.06514	3.0
85.10160	5.8
91.05465	27.3
93.07029	71.0
95.04929	10.0
95.08592	58.4
97.06525	14.2
97.10146	13.5
98.21431	2.0
99.08080	34.0
102.33352	1.6
105.07013	22.2
107.04951	6.1
107.08582	52.1
108.08916	2.0
109.06501	7.4
109.10148	32.8
111.08065	4.8
111.11696	2.5
113.09623	3.0
114.09109	1.8
114.20351	1.9
117.06976	5.2
119.08574	21.9
121.06538	2.2
121.10133	49.8
123.08028	3.3
123.11676	8.4
125.09606	5.4
127.11170	5.1
131.08553	5.5
133.10101	16.5
135.08000	3.1
135.11681	56.3
136.11995	2.3
137.09627	5.7
137.13216	6.9
139.07492	2.3
141.09088	5.0
142.08607	10.1
143.08496	2.4
145.10150	3.9
147.08081	2.1
147.11655	5.2
149.09570	2.9
149.13235	22.2
151.11177	12.3
151.14778	3.8
153.12744	4.6
155.14273	6.0
159.11668	3.7
161.13235	12.5
162.25270	1.7
163.11145	6.3
163.14801	5.7
165.12808	2.8
167.10681	4.2
167.14311	7.4
169.12198	4.5
171.11703	2.1
173.13245	3.1
177.12796	4.4
179.14285	100.0
180.14583	8.2
181.12177	2.2
189.11113	3.3
189.12695	2.2
193.12094	2.0
195.13741	2.3
221.15363	3.3
233.22607	22.5
235.16855	3.6
243.20998	7.4
259.20569	3.4
261.22122	11.8
271.86423	1.8
277.21600	60.0
278.21942	5.7
279.23096	15.9
295.16656	2.1
295.22516	6.1
296.22171	21.7
296.25815	16.1
297.24149	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	296.0913
Annotation	Velutinam
Peak:m/z	Relative Intensity
56.81799	0.4
58.06642	1.9
69.66370	1.8
69.66791	1.7
72.06583	0.4
81.07111	0.5
90.12836	0.4
105.07066	0.5
112.80089	0.4
165.07036	0.6
180.07976	1.0
181.06490	0.5
189.07089	0.6
190.06454	2.9
194.07135	0.6
197.08350	0.9
204.08157	1.1
205.06514	0.5
207.06577	0.6
208.07555	10.6
209.07877	0.5
210.07040	0.5
211.07503	0.5
217.06558	0.9
217.08842	0.8
218.05954	0.9
218.09593	2.0
219.08038	1.1
220.07581	0.7
221.06009	0.8
222.07018	0.6
222.09157	1.7
225.07652	3.4
234.09052	0.6
235.06039	0.8
236.07010	22.8
237.07637	8.1
238.04871	0.6
240.10034	0.7
245.08371	0.5
246.09084	1.3
250.08591	3.7
252.06503	2.7
253.07266	49.1
254.07703	2.8
265.08548	2.4
265.12250	0.6
268.09644	66.3
269.10004	3.8
278.08044	1.4
278.11490	1.0
281.08066	5.3
282.08792	0.5
296.09125	100.0
296.12720	4.0
296.16266	3.2
297.04016	0.4
297.09171	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	295.2264
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
50.94168	1.6
55.05503	9.3
56.57946	2.0
57.03430	26.5
57.07068	77.6
65.54772	1.7
67.05493	35.3
69.07056	13.2
70.23715	7.1
71.08623	98.2
71.24957	1.8
72.08953	3.2
75.42721	1.9
79.05472	6.0
81.07042	70.7
83.08591	5.6
85.06526	3.0
85.10167	57.0
91.05486	5.1
93.07052	6.0
95.04942	4.9
95.08595	100.0
96.08955	3.3
105.07024	7.5
109.06516	4.0
109.10170	3.3
119.08546	3.4
120.63208	1.7
123.08054	30.8
123.08883	3.2
135.08015	1.9
137.13203	12.1
141.09076	2.8
155.14285	69.0
156.14642	2.8
186.07524	2.1
221.18958	35.3
222.19403	2.5
237.18454	2.7
239.19969	3.4
249.22083	13.8
277.21588	54.5
278.22147	2.8
295.22714	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	294.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.2
55.01862	0.2
57.07062	1.2
60.12171	0.2
66.04709	0.2
67.05470	0.4
71.08617	1.2
71.79079	0.3
79.05476	0.5
81.07035	0.9
83.08617	0.2
87.02529	0.1
88.07679	0.2
91.05466	0.6
94.04167	1.6
103.19019	0.1
107.04984	0.2
109.06459	0.4
122.03625	5.8
137.05952	100.0
138.06287	2.4
141.12732	2.3
158.15395	1.7
170.15376	0.5
205.35794	0.2
273.49579	0.2
292.14560	0.2
294.07645	0.4
294.20688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.226
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.03924	3.4
55.05486	21.3
57.03420	4.5
57.07062	71.5
59.04995	2.5
67.05495	44.3
69.07055	29.7
71.04998	2.9
71.08617	82.6
72.08965	2.9
79.05479	23.5
81.07038	80.8
83.04952	4.1
83.08611	10.8
85.02894	44.3
85.06519	9.2
85.10168	42.8
91.05453	12.4
93.07037	13.4
95.04950	8.4
95.08588	100.0
96.08949	3.1
97.06519	7.4
97.10146	8.1
99.04429	3.4
105.07005	29.8
107.04916	9.1
107.08559	14.6
109.02848	3.2
109.06491	10.9
109.10138	19.6
111.08014	3.0
119.08572	15.9
121.06519	5.1
121.10140	7.7
123.08041	49.0
123.08865	3.8
123.11687	7.5
131.08548	5.0
133.06529	5.8
133.10117	10.3
135.11685	5.3
137.09563	5.3
137.13243	8.0
141.09116	14.3
147.11716	4.5
149.41092	2.8
151.11188	4.3
151.14818	5.5
153.12819	4.0
155.14285	59.6
165.09044	2.8
175.14838	11.5
191.18095	3.2
193.15829	6.2
211.16898	9.8
221.11838	3.4
225.18320	3.1
229.47307	4.3
231.21024	4.6
235.20576	9.6
239.16472	3.6
249.22188	5.0
265.12350	3.1
277.21637	38.9
277.24899	4.5
295.11783	3.0
295.22656	54.5
295.28000	3.7
296.22821	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	294.0755
Annotation	Piperumbellactam D
Peak:m/z	Relative Intensity
53.51486	0.3
55.01828	0.3
56.98070	0.3
58.79125	0.3
65.45223	0.3
70.47791	1.4
73.12984	0.3
79.05461	0.4
81.06982	0.8
95.08572	0.4
96.08878	0.4
105.20077	0.3
108.10227	0.3
111.04461	0.4
127.94103	0.4
195.06763	2.3
210.09132	0.6
223.06184	1.4
225.31949	0.3
233.05952	0.5
238.08572	0.4
248.08516	0.3
250.08434	0.4
251.05724	42.1
252.06012	2.1
262.04749	0.7
263.10648	0.9
266.08084	0.6
276.20355	0.3
278.04434	0.4
278.07938	0.3
279.05209	79.8
280.05539	3.3
294.07544	100.0
295.07965	4.1
309.38367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.206
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.02392	0.1
54.32927	0.1
55.05500	0.2
57.07058	0.5
58.02943	0.2
66.04683	0.2
67.05489	0.5
69.07055	0.2
70.89226	0.3
70.89576	0.2
71.08620	0.5
73.18727	0.1
79.05476	0.3
81.07053	1.5
88.07631	0.2
91.05458	0.6
94.04171	1.6
95.04952	0.2
97.10152	0.2
107.04960	0.2
109.06489	0.3
109.10169	0.2
110.78931	0.1
121.10070	0.1
122.03631	5.7
123.11683	1.6
137.05959	100.0
138.06296	2.2
141.12689	0.2
158.15388	1.8
162.42351	0.2
170.15381	2.8
222.08322	0.3
238.11464	0.3
276.35468	0.1
277.21432	0.2
294.07617	0.6
294.10928	0.3
294.20724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2469
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05492	11.5
57.07066	74.5
67.05492	28.8
69.07060	16.4
71.08618	71.9
71.83172	3.7
71.83540	3.9
73.06534	4.7
79.05480	24.0
81.07041	44.3
82.81008	3.3
83.04932	3.3
83.08595	13.2
85.02888	6.6
85.06483	3.6
85.10157	37.5
89.38306	3.0
91.05472	8.0
93.07021	13.4
95.04956	18.9
95.08591	76.4
97.06546	7.8
97.10139	4.9
99.04440	16.3
101.06023	3.3
105.06987	5.5
107.08577	10.1
109.10153	15.9
111.04424	3.9
117.06992	7.7
119.08580	10.9
121.10155	6.3
123.08034	4.8
135.07961	4.3
137.09573	3.7
137.13229	4.2
139.11185	5.0
145.10118	7.9
153.09129	6.5
155.14293	18.8
160.10912	3.8
163.03909	6.6
167.10786	3.1
169.15819	20.9
177.52267	3.1
209.11703	4.8
221.08128	17.2
225.18585	5.2
237.11325	15.5
250.08244	3.3
261.22177	11.0
265.25150	20.6
275.12723	3.5
275.23654	8.2
278.07675	12.2
293.10074	13.1
293.13449	4.9
293.21396	5.3
293.24692	100.0
294.11005	3.1
294.25043	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43305	4.0
55.05490	6.5
57.07064	62.1
67.05495	42.8
69.07053	17.3
71.08619	74.1
71.82293	6.8
73.06548	10.7
79.05482	12.5
81.07043	84.4
83.08592	7.3
84.18842	3.7
85.10164	52.5
87.53801	3.5
91.05482	6.2
93.07028	9.0
95.08590	75.9
97.06509	7.5
99.04430	27.9
107.08575	15.6
109.10137	12.9
111.04434	7.8
112.26788	4.0
113.39753	4.8
117.07030	4.6
119.08540	13.7
121.10121	8.9
123.11694	10.8
131.08560	6.4
135.08035	5.8
137.09595	5.5
137.13232	4.9
139.11134	5.8
145.10083	8.3
155.14285	35.5
163.03906	4.4
181.04855	3.9
190.23845	3.7
209.11687	7.0
221.08084	17.8
230.81363	4.1
231.28639	4.4
237.11148	22.1
261.22156	16.3
267.76892	4.2
275.12668	9.4
283.55438	4.3
288.61087	4.4
293.10495	5.8
293.13626	4.4
293.21375	7.9
293.24661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03927	3.3
55.01856	9.3
55.05230	1.3
55.05500	27.7
57.03412	3.2
57.07062	8.0
65.03914	2.7
67.05491	48.1
69.03402	3.6
69.07055	38.9
71.04963	4.8
71.08614	2.8
79.05478	36.8
81.03407	6.7
81.07040	89.0
83.04958	6.6
83.08600	22.5
84.08145	1.2
85.06528	8.3
85.10155	1.6
91.05463	29.6
93.07029	38.1
95.04955	13.0
95.08591	54.9
97.06503	14.7
97.10143	15.5
98.98422	1.2
99.08064	4.3
101.05999	1.5
103.05441	2.0
105.07011	31.3
107.04937	8.9
107.08574	47.1
109.06494	13.5
109.10126	33.4
111.04387	1.4
111.08059	9.8
111.11684	4.3
117.06991	8.3
119.08553	23.7
121.06461	5.5
121.10120	18.6
123.08067	6.5
123.11679	17.2
125.09599	9.0
127.07574	1.3
127.11147	1.8
128.06181	1.6
129.07014	3.0
131.04886	2.7
131.08554	12.9
133.06403	2.0
133.10109	22.1
135.08012	6.3
135.11671	11.2
137.09598	5.1
137.13214	9.3
139.07599	1.4
139.11157	1.9
141.06924	1.7
143.08537	3.2
145.06467	2.2
145.10078	14.4
147.04326	2.6
147.07993	3.5
147.11662	14.7
149.09595	14.9
149.13242	15.3
151.11176	7.0
151.14804	3.2
153.12694	2.6
155.08476	2.2
157.10088	3.2
159.08073	1.5
159.11658	10.1
161.09543	2.1
161.13213	5.7
163.03856	2.4
163.11148	11.2
163.14824	3.4
165.09071	3.8
165.12718	3.7
165.16330	2.2
167.14285	4.5
169.10126	3.2
171.11630	3.8
173.09546	1.7
173.13205	5.7
175.11139	2.9
177.12738	3.4
179.17836	1.3
185.13252	1.9
187.11166	2.2
187.14708	2.2
189.11182	6.2
191.14233	1.7
195.06635	1.5
197.13228	3.1
199.14589	1.6
201.12680	1.5
203.06992	2.5
205.15833	1.3
205.19528	2.1
215.17883	1.8
217.15814	1.4
219.20988	1.6
221.08009	9.5
223.13300	2.6
229.19481	5.4
233.07965	1.9
233.19102	1.7
239.17871	8.0
247.20583	6.9
250.08447	1.9
257.18945	14.4
265.07422	2.3
265.21323	1.8
266.07889	1.8
275.12793	4.3
275.20010	100.0
275.27249	2.6
276.06427	1.8
276.20392	5.6
278.07965	4.5
279.05255	4.5
279.08853	2.6
292.05872	1.6
293.06686	3.7
293.13855	2.1
293.21106	29.1
293.28268	17.9
294.07626	11.1
294.11185	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.02047	0.8
53.03920	1.5
55.01854	2.8
55.05505	10.2
57.07058	3.1
67.05493	20.1
69.03419	1.8
69.07056	19.7
69.69559	6.5
69.93259	0.8
71.04971	2.3
71.08601	1.3
76.94685	0.7
79.05479	14.3
81.06592	1.6
81.07046	25.4
83.04960	7.4
83.08616	4.2
85.06544	1.4
91.05467	14.1
93.07027	17.9
95.04939	5.1
95.08591	16.8
97.06512	4.5
97.10139	2.6
105.07014	20.1
107.04925	6.1
107.08574	12.1
109.06483	7.6
109.10146	7.2
111.08096	1.2
117.06995	5.5
119.08572	9.9
121.06486	7.7
121.10104	5.8
123.08033	4.2
123.11697	2.4
125.09618	1.3
129.06993	1.7
131.08556	10.2
133.06474	3.0
133.10109	14.0
135.08038	3.8
135.11649	4.4
137.09615	2.2
143.08553	2.5
145.06406	1.7
145.10091	7.7
147.08041	2.6
147.11671	7.2
149.09592	3.9
149.13240	2.0
151.11131	6.5
155.08665	0.9
157.10135	2.0
159.08090	1.9
159.11658	5.0
161.09569	2.5
161.13251	2.5
163.11166	2.8
171.11664	1.7
173.09605	3.0
173.13249	3.7
175.11200	1.7
177.12677	1.5
183.11629	1.6
187.11145	2.0
187.14912	0.9
188.94833	0.9
191.14255	2.1
197.13210	1.2
201.12680	1.8
207.13779	1.9
211.25388	0.9
215.17889	2.0
219.13747	4.1
221.08026	1.5
229.19537	1.7
231.17383	0.9
233.15488	1.4
239.17955	4.0
247.20598	2.9
256.96109	1.1
257.18979	13.3
275.20023	100.0
276.20276	4.0
278.08270	1.4
293.21078	32.5
294.07767	0.8
294.11218	2.2
306.57526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
53.03938	1.5
55.05494	4.1
57.03429	36.2
57.07067	8.0
67.05491	7.3
69.03429	1.2
69.07049	4.0
71.08620	6.7
71.81917	1.6
75.62189	1.0
79.05470	4.3
81.07030	6.2
83.04959	3.4
85.10155	2.3
91.05468	4.4
93.07014	7.0
95.04961	3.3
95.08572	7.0
97.06518	4.3
105.06986	2.9
107.04939	3.7
107.08597	4.3
109.06492	4.2
109.10185	2.0
111.04406	6.4
111.08095	1.7
119.08572	2.2
121.06474	3.5
121.10130	1.7
123.04446	2.1
125.05956	5.7
133.10114	2.1
135.08015	3.0
147.17487	1.4
153.05411	1.4
161.13159	1.1
163.03882	2.2
181.04976	2.1
181.08533	3.0
191.10730	3.5
191.14270	3.6
193.16071	1.2
203.07086	1.7
209.11630	1.8
219.17462	2.7
221.08073	9.9
221.18723	1.3
237.11165	6.4
237.18457	99.2
238.18794	2.4
275.12695	2.8
278.07843	1.9
293.10217	2.3
293.13803	2.9
293.21069	100.0
294.11139	2.6
294.21445	4.8
312.21414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01861	0.8
55.05480	3.5
57.03426	44.9
57.07063	5.2
61.18802	0.7
61.57306	0.7
67.05486	3.7
69.07041	3.0
70.99168	2.3
71.04970	1.5
71.08615	4.6
79.05472	4.6
81.03381	1.1
81.07036	6.1
81.18418	0.8
81.65251	0.8
83.04964	3.0
83.08594	1.0
84.70251	0.8
85.10166	1.5
91.05460	2.5
93.07047	4.1
95.04926	3.1
95.08602	4.1
97.06512	3.6
105.06981	2.1
107.04937	4.6
107.08548	2.0
109.06485	3.4
109.10158	1.2
111.04429	6.0
117.06960	0.8
119.08549	2.3
121.06459	1.9
121.10111	1.3
123.08030	1.5
125.05972	5.6
133.06340	0.8
133.10129	1.3
135.08026	2.6
137.64090	0.7
143.78857	0.7
147.07957	0.9
149.09561	1.1
161.13226	1.1
165.09071	1.0
181.08598	2.1
187.13641	0.7
191.10587	0.8
191.14273	2.5
193.15845	2.1
193.19653	0.7
203.14345	1.0
207.17346	0.8
207.96191	0.7
209.11624	1.0
209.19049	1.3
219.17500	1.3
221.07967	1.1
237.11259	2.0
237.18445	100.0
238.18756	3.4
275.20026	1.3
293.21048	99.2
294.21365	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	Methyl [6]-paradol
Peak:m/z	Relative Intensity
53.03903	0.5
55.01832	0.8
55.05495	3.7
55.65628	0.4
57.03426	34.6
57.03689	1.9
57.07059	5.8
60.34943	0.4
65.03881	1.2
67.05492	13.5
67.05833	0.9
69.07061	5.3
70.97577	1.0
71.04936	1.2
71.08614	4.4
79.05476	5.6
81.03371	1.1
81.07039	18.2
83.04958	3.5
83.08551	1.9
85.06457	0.5
85.10114	1.9
86.29781	0.5
91.05456	3.0
93.07030	4.7
95.04943	3.5
95.08590	14.5
97.06516	3.3
97.10080	1.0
99.04405	0.4
104.40435	0.4
105.04411	0.8
105.07044	2.7
107.04934	3.2
107.08580	2.7
109.02798	0.5
109.06505	3.0
109.09506	0.6
109.10134	6.2
110.00802	0.5
111.03741	0.5
111.04419	5.9
111.08068	0.7
112.25526	0.4
117.06944	1.6
118.91801	0.4
119.08547	2.2
121.06464	2.4
121.10097	2.6
123.04395	0.5
123.07994	2.0
123.11681	3.0
125.05967	5.0
131.08488	1.6
133.06448	0.9
133.10085	2.2
135.08011	2.4
135.11589	1.4
137.09468	0.5
137.13191	1.5
139.07437	0.8
145.10051	1.7
147.07988	1.0
149.09525	0.7
149.13235	0.9
151.14682	0.6
153.05363	0.7
159.11613	0.4
161.13139	1.1
163.03859	1.1
163.11131	0.7
163.14726	1.2
165.09076	0.8
173.13237	1.3
175.14812	0.8
179.14342	0.6
181.08501	1.9
185.28691	0.5
191.10635	1.0
191.14186	2.5
191.46114	0.5
193.15819	1.8
203.07074	0.6
203.14233	1.4
207.17256	0.7
209.11656	1.1
209.18936	1.1
219.17320	1.4
221.08086	2.8
233.08125	0.5
237.11226	2.1
237.18443	100.0
238.18710	4.2
243.20972	1.1
252.55072	0.5
261.22067	1.4
275.12814	0.8
275.20206	1.1
293.21082	86.1
294.21353	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	293.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95126	2.0
54.25128	2.2
58.99745	1.7
68.71305	1.7
70.57922	8.5
72.04949	1.8
84.72862	2.1
117.26716	2.1
118.08673	3.1
132.02016	3.5
141.09824	1.6
157.50545	2.0
161.99507	48.3
176.01083	8.3
187.86220	1.8
269.00955	2.1
274.28452	1.8
275.28705	1.8
293.06277	100.0
294.03622	6.0
294.06628	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	292.0962
Annotation	Pareitropone
Peak:m/z	Relative Intensity
53.66254	0.2
56.42401	0.2
71.00398	0.5
94.30969	0.2
98.00994	0.2
109.91302	0.2
130.08621	0.3
158.06012	0.4
165.06950	0.4
167.07277	1.0
190.06659	0.2
191.07327	0.6
193.06514	0.5
193.08800	0.2
195.06735	2.9
203.07265	0.7
204.08020	0.5
210.05467	0.7
219.04739	0.2
219.06735	4.4
220.07532	12.2
221.06001	0.4
221.08153	1.0
223.06218	3.4
227.05705	0.8
231.06770	1.0
232.07552	1.8
234.05484	0.9
235.06192	1.0
246.05534	0.8
247.06221	2.7
248.07028	24.0
249.05396	8.5
249.07800	7.3
251.05592	0.2
259.06268	0.3
260.07004	3.7
262.04947	0.7
263.05725	1.4
264.10114	6.6
265.10492	0.3
274.04922	0.4
275.05756	0.9
276.06512	14.8
277.07288	38.5
278.07733	1.1
292.09616	100.0
293.09982	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2313
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03927	2.8
55.05495	15.8
57.07053	3.6
59.04992	1.3
62.76923	1.4
65.03922	2.5
65.89595	1.4
67.05493	33.3
69.07055	16.6
71.81522	1.4
79.05019	3.3
79.05478	66.6
81.07038	42.5
81.07524	1.7
83.04965	3.0
83.08607	9.8
85.06520	2.9
91.05461	26.8
93.07027	100.0
95.04940	7.2
95.08587	33.6
97.06516	3.3
97.10158	3.8
98.98453	2.3
105.07008	19.8
107.04917	3.3
107.08572	56.2
109.06501	4.4
109.10133	15.4
111.08073	2.7
117.06987	3.7
119.08556	14.9
121.09238	2.3
121.10120	47.5
121.10956	2.9
122.10479	2.3
123.04466	2.3
123.08063	2.6
123.11697	5.2
125.09628	2.0
129.06990	2.6
130.08603	2.2
131.08556	6.6
133.10095	13.3
135.08049	3.0
135.11668	50.8
137.09651	1.7
139.03908	3.8
143.08536	2.4
145.10117	7.7
147.11676	12.1
149.09641	2.8
149.13231	30.1
151.07515	1.7
157.10126	2.9
159.11681	5.0
161.09491	1.5
161.13243	7.8
163.11237	3.3
163.14781	9.9
165.12733	2.0
171.11711	4.2
173.13284	3.6
175.11168	1.9
175.14804	7.9
177.16344	2.4
185.13229	4.5
189.12698	2.6
199.14807	3.5
203.14336	2.8
207.13820	3.4
209.15286	1.5
213.16397	1.8
217.19456	2.2
221.11627	2.3
231.17375	2.7
233.15335	3.0
235.16780	2.4
241.19569	5.7
249.07777	2.3
249.18507	4.4
257.73514	1.6
259.20584	7.6
277.07144	2.0
291.19699	4.4
291.23166	71.1
292.09586	4.2
292.23505	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	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03922	1.2
55.01839	0.5
55.05495	3.0
55.05723	0.5
55.42675	0.5
55.73314	0.5
57.07052	0.9
57.81406	0.5
59.04980	0.7
67.05486	2.7
69.03402	2.2
69.07059	9.2
70.35852	2.1
71.04974	1.3
72.91869	0.5
79.05481	6.4
81.07038	7.3
83.04967	3.0
83.08615	2.5
85.06523	0.5
85.46684	0.5
91.05466	4.1
93.07027	20.0
95.04947	1.8
95.08590	6.5
97.06512	2.5
97.10146	1.3
98.21360	0.6
105.07006	8.8
106.07814	0.6
107.04922	2.6
107.08566	7.6
109.06495	13.9
109.10139	3.2
111.08080	1.1
111.11700	2.7
113.09663	0.7
115.05372	0.5
117.07004	1.0
119.08546	3.9
121.06466	1.2
121.10124	32.6
122.10448	0.7
123.04404	4.9
123.08046	3.6
123.11689	1.8
123.51624	0.6
125.09596	2.3
129.06935	0.9
131.08524	2.4
133.06458	1.2
133.10106	2.4
135.08023	4.7
135.11664	0.8
137.09631	1.5
139.01617	0.6
139.03874	7.8
139.11160	1.9
141.06927	0.7
143.08569	1.1
145.10130	2.1
147.04372	2.2
147.08011	1.0
147.11644	2.4
149.09598	10.4
149.13251	0.8
151.07526	2.5
155.08543	0.6
156.09261	0.8
157.10106	2.7
159.08084	1.3
161.05978	0.6
161.09557	0.6
163.11137	0.6
165.05444	2.3
167.10648	100.0
168.10979	4.3
171.11710	1.4
173.13170	3.2
175.11089	2.7
175.14908	0.5
183.11566	0.8
185.13286	0.8
187.14999	0.7
189.12727	1.4
191.10629	3.6
191.14275	2.5
197.13243	1.6
199.11102	1.3
211.14850	0.7
213.16374	1.2
215.14305	2.4
217.12207	1.1
231.17299	0.7
233.15303	10.3
234.15623	1.1
249.07608	0.6
255.17404	3.0
273.15573	1.0
273.18396	6.5
273.25574	0.7
274.18646	0.6
291.09888	0.8
291.19479	5.9
291.26727	1.7
292.19724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.62936	0.7
53.03928	1.1
55.05502	8.5
57.07057	3.4
57.70851	0.8
59.04986	2.6
62.85059	0.7
63.42030	0.9
67.05500	4.0
69.03410	2.4
69.07055	2.0
70.96220	1.6
70.96552	1.5
71.04971	3.4
79.05476	9.0
81.03444	0.9
81.07030	7.2
83.04970	2.8
83.08604	7.9
85.02895	2.0
85.06534	1.1
91.05481	4.9
93.07029	11.2
95.04956	4.4
95.08595	15.1
97.06516	4.6
97.48235	0.8
105.04453	0.9
105.07026	8.0
107.04935	14.1
107.08586	7.7
109.06500	6.1
109.10140	2.3
111.04431	1.7
111.07290	1.9
111.08066	39.8
113.09628	1.9
117.07011	1.7
119.08559	8.5
121.06512	2.3
121.10117	6.6
122.07236	1.2
123.04414	2.3
123.08047	35.0
123.11658	1.8
125.09602	1.8
129.06996	1.0
130.08641	1.0
131.08549	7.2
133.06482	2.7
133.10097	8.5
135.08049	4.9
135.11685	2.0
137.09561	1.9
139.03891	3.3
142.07785	1.7
143.08534	2.2
145.10097	5.4
147.04375	1.0
147.08040	3.2
147.11656	5.7
149.09567	7.1
149.13293	1.8
151.07518	100.0
152.07872	3.8
155.10667	3.0
156.09290	1.8
157.10114	4.4
158.10898	1.3
159.08070	1.5
159.11621	1.0
161.09608	2.7
161.13319	1.3
163.11159	4.7
165.09103	1.5
167.10640	1.2
171.11661	2.3
173.09616	1.4
173.13232	6.2
174.10336	1.8
175.11136	5.4
177.09122	2.4
179.10643	4.3
181.12241	1.8
189.12711	27.8
191.10600	1.6
191.14282	15.8
192.11423	3.1
192.70157	0.9
197.11668	15.4
197.13261	2.5
197.75981	0.8
198.12126	1.5
201.16341	0.8
203.14082	1.2
207.13776	61.5
208.14151	2.2
211.13145	1.4
215.14319	3.5
217.12215	3.4
231.17427	2.4
233.15327	50.9
234.15572	2.7
235.13228	2.2
248.06985	3.4
249.07858	1.2
249.18546	1.8
255.17453	1.8
273.18405	6.4
276.06610	2.2
277.07309	6.6
291.19504	64.7
292.09644	14.2
292.19922	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.0
57.07058	2.7
59.04975	2.2
66.76772	0.7
67.05490	3.5
69.03414	1.3
69.07047	2.2
70.06594	0.8
70.15096	4.2
70.68941	0.7
71.04979	3.6
73.85143	0.7
79.05482	5.4
81.07039	5.2
82.80029	0.8
83.04973	1.0
83.08592	2.6
85.02893	1.7
85.06516	2.3
88.07593	0.9
91.05459	2.8
93.07025	8.8
95.04954	3.9
95.08587	9.2
97.06488	3.1
98.21356	0.8
105.07009	9.8
107.04974	4.6
107.08566	7.9
109.06507	6.6
109.10129	3.2
111.04438	1.0
111.08066	22.8
113.05990	1.0
113.09634	1.3
117.07005	2.0
119.08563	7.8
120.08864	1.0
121.06496	2.2
121.10103	5.3
122.07265	0.9
123.08044	30.4
124.08360	1.1
125.09643	1.1
130.07773	1.2
131.08548	4.9
133.06473	2.2
133.10091	6.6
135.08090	4.4
135.11679	2.8
137.09583	3.6
142.07753	0.8
143.08531	3.0
145.10091	12.8
147.08046	3.4
147.11670	6.5
149.09560	4.4
151.07512	79.1
152.07840	2.6
155.10667	1.5
156.09340	1.5
157.10078	4.6
159.08046	1.4
159.11676	3.9
161.09579	2.8
161.13275	2.4
163.11140	2.7
165.09074	0.8
171.11703	4.0
173.09636	2.1
173.13264	4.8
174.10329	1.4
175.11171	4.2
177.09082	1.5
177.12735	2.3
179.10614	4.2
179.98412	0.9
181.12152	1.0
182.11046	0.8
182.12733	0.8
185.13242	1.2
187.11145	3.8
187.14761	1.7
189.12704	23.7
190.13045	0.9
191.14320	5.4
192.11407	3.3
195.06805	1.4
197.11700	14.5
197.13234	1.1
200.54759	0.9
203.14279	2.1
205.12225	1.2
207.13770	51.7
208.14082	2.0
211.14847	0.8
213.16396	3.2
215.14291	6.7
217.12209	2.4
218.09636	4.3
219.06737	2.1
220.07471	3.7
223.06232	0.8
229.23471	1.4
231.06882	1.4
231.17535	2.0
232.07599	0.9
233.15343	18.5
234.15550	1.3
235.13290	1.3
246.09077	4.7
247.06297	2.1
248.07033	34.1
249.07791	1.3
249.18443	0.8
255.17439	3.4
260.07001	4.2
261.11432	11.2
263.05710	1.6
273.18433	7.0
275.05624	0.9
276.06537	17.9
276.09833	1.4
277.07297	42.7
291.19485	49.4
291.26807	3.7
292.09641	100.0
292.19684	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.52286	7.1
55.05500	62.3
57.07070	9.7
67.05485	25.6
69.03421	9.1
69.07039	30.3
70.75324	6.5
71.04985	70.3
71.08610	8.6
71.81824	9.5
78.83575	6.0
79.05464	25.5
81.07051	56.2
81.28007	6.7
83.04967	10.1
83.08598	37.5
85.02877	14.0
85.06467	8.4
91.05446	18.3
93.07034	55.8
94.07809	7.5
95.04925	21.1
95.08594	52.7
95.41177	7.1
97.06488	9.2
98.98445	16.3
99.04430	59.7
105.06995	32.2
107.08566	38.7
109.02853	6.5
109.06496	71.0
109.10147	17.1
111.04445	14.4
111.07367	11.5
111.08065	97.1
119.08582	34.7
121.06479	12.8
121.10126	48.8
123.04404	30.9
123.08043	31.0
125.05946	7.4
129.06926	8.7
129.49677	6.9
130.08597	9.3
131.08537	18.5
133.10147	14.1
135.08003	24.0
135.11716	51.1
137.09578	13.3
139.03812	33.6
139.07475	9.4
143.08505	6.6
145.10089	22.2
147.04361	8.1
147.08064	12.6
147.11658	20.2
149.09578	21.9
151.07500	23.9
157.10063	8.6
159.11647	6.7
161.09512	16.5
163.11136	21.7
173.09575	13.3
175.14902	8.6
181.12192	18.8
191.10623	50.8
191.14291	12.4
193.15862	23.5
207.13820	11.6
211.02771	7.5
227.02217	14.9
233.15297	10.8
273.18521	17.7
276.06464	10.9
291.09201	7.4
291.12573	11.1
291.19525	100.0
291.22763	16.7
291.26877	16.2
292.09576	22.0
292.19479	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	291.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01593	0.4
55.01862	14.2
55.05500	19.6
57.07059	0.9
59.05005	0.5
61.01138	16.9
67.05490	4.8
69.03421	2.7
69.07056	4.6
70.06581	1.6
70.92577	1.4
71.08594	0.6
72.04510	2.1
73.02895	3.7
74.81512	0.4
78.03770	1.8
78.71201	0.4
79.05484	4.3
81.03423	0.4
81.07043	6.9
83.04970	2.1
83.08607	15.9
85.06513	0.9
86.06052	38.3
88.07611	1.3
90.05551	0.5
91.05466	0.7
93.07023	1.1
95.08591	2.1
97.06503	0.5
97.10152	36.4
98.06039	1.4
98.98435	0.6
101.09630	0.5
102.03767	2.9
103.02134	0.7
105.07005	1.4
107.08586	7.4
109.10144	0.9
111.04432	0.5
114.03742	1.7
114.09151	0.5
115.02133	0.7
115.05782	4.1
115.08669	9.8
119.08555	1.0
120.04763	4.6
120.72799	0.4
121.10120	1.0
123.04420	2.8
123.11713	0.5
124.11218	3.4
125.09609	79.6
126.09943	0.9
131.06371	1.0
132.04765	4.1
132.10194	1.3
133.02892	0.5
133.10588	0.5
137.13277	0.5
139.01601	0.8
139.03860	3.8
142.12265	0.7
143.08875	0.6
143.10655	8.9
147.04396	1.4
147.11687	0.5
149.07411	4.4
150.11205	0.9
151.03833	0.4
151.11574	0.8
154.12245	2.8
157.10043	0.5
165.05504	1.0
179.10690	0.4
184.11583	1.0
190.82176	0.4
196.13304	40.2
197.13519	0.6
202.12607	1.9
203.10976	47.7
204.11472	0.6
220.13609	3.5
228.10455	0.9
244.13655	5.0
247.24594	0.8
248.07047	0.9
255.15219	1.8
256.13614	4.2
260.06934	0.8
262.14597	1.0
263.14908	0.5
264.06540	1.6
273.16235	11.3
274.14633	1.2
277.07327	1.1
291.17316	100.0
291.27084	11.5
292.06296	0.4
292.09488	2.8
292.17636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00315	0.4
55.01867	0.4
55.05494	0.5
61.01139	15.2
64.13345	0.4
65.03948	0.3
67.05486	0.7
68.03046	0.3
69.03416	0.9
69.79138	2.4
70.06578	0.8
71.04973	0.6
79.05486	0.6
81.03384	0.9
81.07024	0.3
83.04949	0.4
83.08613	1.1
84.04498	1.0
84.08125	79.1
85.02895	0.5
85.06571	0.3
86.09695	1.0
89.01749	0.3
91.05457	0.8
93.07027	0.6
95.04945	0.8
95.08581	0.6
98.98479	0.4
99.04446	0.5
105.07011	0.6
107.08607	0.7
107.09246	0.3
109.02837	0.5
111.04417	0.8
111.08057	0.9
119.04918	0.8
120.08122	0.4
121.10108	0.3
123.04402	9.7
124.07528	0.4
127.03934	0.8
129.09088	1.2
131.08536	0.5
132.08401	100.0
133.08759	0.7
135.18716	0.3
137.02347	0.5
139.03873	15.7
140.04227	0.5
143.04919	0.3
145.10037	0.4
147.04384	4.4
151.03867	0.6
154.04922	0.5
157.10110	0.4
159.11722	0.5
161.05936	1.3
163.03879	0.4
165.05475	2.2
179.07054	0.3
189.06656	0.4
193.08395	0.3
198.11182	1.3
203.03392	3.3
207.06483	1.4
215.13879	1.3
228.09972	0.4
231.02841	3.3
243.17108	0.5
245.12782	1.0
246.11406	1.0
255.11302	0.4
255.15837	0.4
273.07513	0.3
273.12311	2.8
274.10580	0.7
291.05051	0.6
291.08487	1.3
291.13312	4.8
291.17261	26.5
292.17548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01875	1.0
55.05500	9.8
57.03414	1.3
57.07054	1.9
59.04991	1.3
62.07404	0.5
65.03922	0.9
67.05494	45.8
68.99774	2.4
69.03413	1.9
69.07066	4.2
71.04986	5.4
71.78758	0.5
71.79108	0.7
73.02906	1.4
73.06546	0.7
79.05483	7.6
81.07042	100.0
82.07385	2.2
83.04959	3.3
83.08612	3.9
85.06533	7.3
87.00816	19.1
91.05464	6.6
93.07027	5.1
95.04963	2.6
95.08580	4.7
97.06494	1.2
97.10152	3.3
105.01847	5.4
105.07019	7.9
107.08575	5.3
109.06506	6.0
109.10134	7.5
111.72188	0.6
121.10141	0.9
123.04427	1.3
123.11686	67.4
124.12036	2.0
131.08582	0.8
133.10117	17.0
134.10448	1.0
137.05946	0.5
139.03943	0.8
139.11198	0.5
141.12720	27.5
142.13129	0.8
147.04379	0.8
151.11157	37.7
152.11600	0.6
159.13795	4.6
169.12224	8.4
187.13271	14.2
227.12769	3.4
255.12256	4.3
266.44943	0.5
273.13342	3.5
291.06491	0.7
291.10110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
54.73668	0.8
55.01854	3.4
55.05511	5.7
57.03428	5.8
57.07073	1.3
59.04978	1.2
61.02924	4.6
67.05492	7.1
69.03409	2.5
69.07057	39.9
70.06566	0.8
71.04959	2.5
77.03918	0.8
77.38065	0.8
79.05482	17.8
81.03388	3.1
81.07043	13.3
83.04948	1.1
83.08590	2.9
85.06518	2.6
86.09203	0.8
87.08131	1.7
89.03908	7.3
91.05451	3.5
93.07020	3.8
95.04929	2.7
95.08576	6.5
97.06513	94.8
97.10136	0.9
98.06828	1.7
99.04449	1.2
103.05434	1.7
105.03352	1.6
105.06997	3.4
107.04931	2.6
107.08584	4.5
109.02848	2.2
109.06486	1.8
109.10161	4.5
111.04365	1.2
111.08062	4.5
111.11694	1.1
117.03349	7.1
117.07071	1.0
119.04910	1.2
119.08544	2.9
121.10104	2.7
123.04411	4.2
123.08018	1.3
123.11655	2.5
127.03832	0.9
129.06960	0.9
129.09067	2.7
130.06430	0.8
131.04919	2.4
131.08530	1.4
133.02823	7.3
133.10101	1.5
135.04391	12.5
135.08000	1.6
135.11661	2.7
137.13197	1.6
139.01558	0.9
139.03879	6.6
141.07034	1.0
145.02823	6.5
145.10059	1.9
146.25175	0.9
147.04379	8.2
147.11633	1.2
149.13249	1.6
151.03882	1.5
153.12735	1.3
157.06419	0.9
159.04411	9.1
159.11641	1.4
161.02318	29.4
161.05975	1.1
163.03876	55.4
163.11101	0.8
163.14784	1.4
164.04179	1.7
165.05481	2.0
169.06456	1.2
173.02319	69.0
174.02666	1.8
177.05481	2.2
177.20004	0.9
179.03372	2.3
185.05916	3.5
186.03108	1.3
187.03754	2.1
187.07520	1.2
187.11314	1.0
191.03381	16.8
195.07994	1.1
197.05966	2.0
199.03818	1.1
205.04828	1.5
213.09126	1.3
215.06996	100.0
216.07269	3.9
217.04912	2.0
223.07607	1.1
233.08026	13.1
233.15446	0.8
234.08508	0.9
241.08600	12.8
245.08978	1.3
249.07755	3.2
255.17433	1.2
259.09613	21.6
260.10294	1.4
263.14838	1.9
264.06461	1.4
273.11249	3.6
273.18454	1.5
277.07346	5.5
291.08948	1.5
291.10193	1.2
291.12494	6.1
291.15323	1.2
291.19550	4.1
291.26746	5.1
292.06461	1.7
292.09628	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0857
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02384	0.5
55.01861	1.4
55.05514	0.3
59.26467	0.3
60.22974	0.3
61.38600	0.3
63.50207	0.3
65.03936	0.8
67.05492	1.3
68.99771	1.5
69.49744	3.4
76.80115	0.3
83.04972	1.4
91.05471	1.4
93.03400	1.0
95.04961	2.6
97.02864	0.6
105.03343	0.5
107.04890	0.5
111.04436	2.6
115.05425	1.0
119.04139	0.5
119.04929	5.5
119.05711	0.6
119.33990	0.3
123.04408	63.0
124.04757	0.8
127.03907	1.1
131.04861	0.4
133.06468	0.8
135.04378	0.8
137.02332	1.0
137.05949	0.7
139.03874	100.0
140.04207	2.1
143.04942	2.0
147.04382	19.8
151.03873	1.9
151.07533	0.5
153.05405	0.6
156.18518	0.3
161.04683	0.5
161.05963	7.3
163.03894	2.0
165.05447	15.5
166.05754	0.5
169.04948	1.3
177.05424	1.2
179.07001	2.6
181.04903	0.7
189.05394	1.7
195.15640	0.3
207.06506	6.6
249.07542	1.0
273.07495	1.5
291.08597	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0858
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03929	0.4
55.01865	1.7
60.89917	0.3
65.03915	1.1
67.05492	1.4
68.91347	0.4
68.99786	1.6
70.96140	0.8
70.96501	0.7
83.04961	1.0
91.05470	1.3
91.39890	0.4
93.03394	1.5
94.86900	0.3
95.04947	2.5
97.02936	0.5
105.03369	0.6
105.06984	0.6
106.07825	0.3
111.04407	2.5
115.05456	1.1
119.04906	5.3
123.04408	65.0
124.04749	2.0
127.03918	1.0
131.04929	0.4
133.06497	0.9
135.04379	0.9
137.02359	0.6
137.05977	1.0
139.03873	100.0
140.04213	2.7
143.04880	2.5
147.04379	20.4
147.05566	0.7
148.04729	0.8
149.05969	0.5
149.53743	0.4
151.03888	2.8
151.07463	0.7
153.05440	0.7
161.05957	7.9
163.03822	2.0
165.05455	17.0
166.05806	0.5
169.04929	1.6
177.05460	1.0
179.07011	3.1
181.04889	0.9
189.03946	0.4
189.05437	2.3
203.06757	0.4
205.08646	0.5
207.06506	7.0
246.98090	0.4
249.07530	1.1
273.07526	1.9
291.08539	9.6
292.08841	0.4
294.98682	0.4
312.22589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01850	2.8
55.05502	5.0
57.03424	5.3
57.07036	0.8
59.04993	2.0
59.74452	0.8
61.02911	3.8
62.07483	0.8
67.05487	9.1
68.99767	1.0
69.03411	3.4
69.03746	0.9
69.07058	30.9
70.07372	0.9
71.04977	2.8
71.78923	1.7
79.05478	15.1
81.03415	1.9
81.07040	13.2
83.04969	1.8
83.08614	1.0
85.02895	1.1
85.06522	2.8
87.08076	2.3
89.03906	6.2
90.43024	0.9
91.05476	3.6
93.07026	3.3
95.04953	2.4
95.08584	6.2
97.06514	89.3
98.06853	2.2
98.98456	1.2
103.05453	2.6
105.03374	1.3
105.07034	3.3
107.04942	3.3
107.08568	2.9
109.02868	1.0
109.06460	1.2
109.10151	2.4
111.08075	3.2
115.07621	0.8
117.03378	6.3
117.06939	1.3
119.04914	1.8
119.08567	2.4
121.10119	2.4
123.04409	7.4
123.08022	1.2
123.11726	4.5
127.03960	1.1
129.06989	1.8
129.09113	3.8
130.08604	1.8
131.04915	1.9
131.08571	2.3
133.02849	6.9
133.06544	1.0
133.10097	1.2
135.04385	12.5
135.11671	1.5
139.03865	8.2
141.06943	1.2
141.12755	1.2
143.08621	0.9
145.02818	9.4
145.03955	1.3
145.06468	1.0
145.10110	1.1
147.04388	5.8
149.13176	1.4
151.03893	2.0
151.07542	1.3
151.11237	1.4
157.06485	2.1
157.10153	1.0
159.04395	9.7
159.07982	1.5
161.02306	29.2
161.05936	1.3
161.13364	0.9
162.02702	1.1
163.03876	62.7
164.04259	2.0
165.05449	1.7
169.06343	0.9
171.04453	1.1
173.02321	66.8
174.02696	1.8
177.05415	1.8
179.03326	1.1
181.06378	1.3
185.05972	3.5
187.03928	2.3
187.07484	2.2
189.05318	1.1
191.03354	20.9
193.04843	1.0
195.07983	1.4
197.05991	2.4
205.05009	1.4
215.06998	100.0
216.07272	5.0
217.05000	2.1
231.06390	1.5
233.08034	18.1
233.15280	1.1
234.08363	1.0
241.08556	12.7
242.08913	1.1
245.15338	0.8
259.09622	23.8
260.10046	1.3
273.11246	3.0
273.18436	1.9
291.09109	1.8
291.12158	11.0
291.19778	3.9
291.22321	0.8
291.26877	1.9
292.12195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2521
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05494	5.0
57.07068	69.7
59.04991	1.2
67.05176	1.5
67.05495	19.7
69.07063	10.0
69.62877	4.2
69.63305	4.3
71.08622	100.0
78.64282	0.9
79.05471	4.3
79.31035	0.9
81.07047	56.1
83.08599	4.3
85.06522	4.3
85.10169	53.9
87.08092	0.9
91.05469	3.6
93.07032	7.9
95.04949	1.6
95.08595	62.2
97.10147	1.5
99.08076	2.0
105.07016	2.6
107.08564	9.8
109.10133	2.6
119.08549	3.8
121.10071	1.4
123.04388	1.5
126.62905	1.0
127.03902	2.2
133.10124	2.0
135.04393	2.9
135.11678	62.7
137.13226	11.6
139.03850	1.8
147.11757	1.3
155.14287	91.8
166.82813	1.0
173.13258	1.0
287.67999	1.0
289.06976	1.5
289.18073	1.7
289.21829	3.0
289.25211	44.0
290.25388	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
55.05508	0.4
57.20602	0.4
65.03941	0.9
67.05485	1.2
68.95512	0.3
68.99783	1.9
69.03414	0.6
71.14732	0.8
71.15074	0.4
81.03407	0.4
83.04978	1.0
91.05469	1.1
93.03394	0.9
95.04939	3.1
96.22435	0.4
105.03366	0.6
105.06976	0.5
107.04918	0.4
111.00802	0.4
111.04432	2.7
115.05421	1.3
119.04929	5.8
123.04408	64.8
124.04767	1.2
127.03902	1.2
132.08398	1.0
133.06458	1.2
135.04417	0.9
137.02281	0.4
137.05928	0.8
139.03877	100.0
140.04251	2.0
143.04895	2.2
145.06476	0.5
147.04384	20.4
151.03911	2.4
153.05394	0.7
159.73312	0.4
161.05971	7.9
163.03876	1.3
165.05450	16.1
169.04968	1.6
177.05434	1.1
179.06969	2.4
181.04825	0.6
189.05392	2.0
205.08580	0.5
207.06494	6.7
249.07483	1.4
273.07498	1.2
291.08569	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2156
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
55.05503	23.7
57.07052	8.6
59.04695	5.9
59.04987	72.1
62.25296	3.4
67.05475	12.9
67.14194	3.2
69.07053	11.0
71.60846	3.1
71.82423	5.2
79.05466	7.8
81.07036	15.0
81.66655	3.1
83.04970	3.3
83.08603	3.8
84.30625	3.1
85.06529	88.1
91.05463	26.3
93.07018	25.1
95.04967	4.9
95.08596	23.9
99.08083	21.1
105.07001	19.9
107.08587	12.0
109.10136	7.4
111.08063	7.0
117.06974	8.7
119.08554	43.4
121.06508	4.1
121.10125	9.2
123.08074	3.3
125.09620	22.4
127.03860	6.1
129.06972	3.7
131.08551	20.3
133.10130	20.0
135.08034	5.8
135.11742	3.4
137.09534	3.6
139.11197	3.7
142.07785	6.9
143.08531	13.5
145.10117	12.2
147.11646	9.6
149.09593	7.2
151.11163	41.4
155.08540	7.3
156.09335	4.5
157.10098	25.1
159.11685	17.9
161.13194	3.6
163.11021	3.5
168.09387	6.2
169.10100	8.0
171.11642	12.7
173.13243	33.4
183.11656	29.4
185.13091	4.9
189.12717	4.4
197.13220	13.1
199.14743	10.1
201.12721	8.7
209.13167	7.8
215.14342	4.1
215.17950	4.0
217.15871	7.2
224.15480	3.8
239.17926	20.7
257.18951	15.9
257.72772	3.4
259.16864	5.9
271.20480	15.0
289.18134	8.5
289.21573	100.0
289.24799	6.7
289.28870	3.4
313.66986	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	289.2155
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03925	3.7
54.05304	2.4
55.05499	26.0
57.07050	9.7
59.04990	61.0
67.05497	12.6
68.35218	2.4
69.07044	11.4
70.51445	11.2
71.08627	4.2
71.89082	2.5
73.06551	4.3
78.13928	2.5
79.05478	6.6
80.05862	2.3
81.07053	15.0
83.08573	3.6
85.06528	100.0
86.06845	3.0
90.66950	2.6
91.05435	19.5
93.07024	31.0
95.04956	3.2
95.08587	32.2
99.08055	19.6
103.91535	2.8
105.07016	19.7
107.08565	17.4
109.06463	3.4
109.10129	6.8
111.08029	6.1
117.06992	7.9
119.08556	27.4
121.10132	8.4
125.09604	26.3
127.03891	6.7
129.06990	6.0
131.08549	22.5
133.10100	18.6
135.11682	4.8
139.11075	4.2
141.06953	3.0
142.07771	8.6
143.08580	10.0
144.09320	3.0
145.10089	16.8
147.11674	12.4
149.09593	5.1
151.11150	19.2
155.08498	7.2
155.50543	2.8
156.09265	5.9
157.10085	32.8
158.10820	5.9
159.11668	21.5
161.13277	4.4
168.09306	6.3
169.10080	8.5
170.10864	4.0
171.11649	10.6
173.09694	2.9
173.13220	39.2
175.11058	3.3
177.12698	4.3
182.10887	3.3
183.11658	30.8
185.13280	4.4
187.11101	3.1
189.12700	5.3
195.11703	4.2
197.13264	8.7
198.13971	2.7
199.14740	11.3
201.12640	16.5
205.15921	4.4
209.13205	7.6
211.14641	2.9
213.16263	6.0
215.14362	6.2
215.17902	4.9
217.15904	5.8
224.15523	3.2
233.15240	4.4
239.17847	18.9
257.18994	13.3
259.16946	3.7
271.20547	11.6
274.19318	3.1
289.18488	5.2
289.21588	97.0
289.24863	6.1
289.29065	3.2
290.21893	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	289.2156
Annotation	Normethandrolone
Peak:m/z	Relative Intensity
50.45989	2.6
53.03927	2.7
55.01843	2.5
55.05500	20.5
56.62352	2.0
57.07066	15.5
57.35902	2.0
59.04976	7.9
67.05487	22.2
68.68289	1.8
69.03401	5.4
69.07057	52.8
70.97409	5.2
70.97758	3.5
71.04941	3.4
71.08609	10.5
79.05481	11.4
81.07038	29.6
83.04965	25.5
83.08576	8.6
83.70242	2.0
85.06538	13.5
85.10155	4.7
91.05472	28.9
93.07027	33.9
95.04944	10.0
95.08586	49.8
97.06495	13.4
97.10200	2.1
99.04403	1.9
99.08102	2.5
101.05994	6.9
105.07009	30.7
107.08581	23.2
109.06491	8.6
109.10135	20.6
111.08031	4.8
115.07546	3.9
117.06989	9.7
119.07700	4.4
119.08551	61.3
121.06487	4.5
121.10103	20.2
123.08038	6.3
123.11685	34.2
125.09595	4.7
127.03867	6.0
129.06956	7.8
131.08553	24.7
133.10112	37.2
135.04340	2.1
135.08038	3.4
135.11639	7.0
136.07555	4.3
137.09593	3.8
137.13123	2.6
139.07500	2.6
142.07700	5.6
143.08542	13.9
144.09303	2.7
145.10109	42.8
147.08028	5.7
147.11662	22.7
149.09586	5.0
149.13228	2.7
150.09589	2.0
155.08493	4.6
155.14247	2.1
156.09251	3.7
157.10109	19.9
158.10901	3.9
159.08044	2.8
159.11659	30.1
160.12320	2.5
161.09575	4.4
161.13246	31.2
163.11121	3.4
165.09090	14.9
168.09273	2.7
169.10086	6.5
171.11609	14.5
172.12358	2.4
173.09583	2.5
173.13234	23.8
175.11081	4.1
175.14783	62.4
176.15565	5.8
177.12642	2.5
177.16331	4.0
183.11722	9.9
185.13228	5.4
187.11055	3.6
187.14743	14.6
189.12709	8.9
189.16371	5.2
197.13248	6.9
199.14803	5.1
201.12717	11.5
201.16313	17.0
203.14209	2.1
203.17827	2.4
211.14706	4.2
213.16402	7.3
215.14200	6.8
215.17873	15.6
227.17870	8.6
228.18770	3.2
233.15283	4.1
243.21060	19.0
244.21257	2.2
245.18927	6.3
253.19450	6.5
271.20554	26.6
284.86447	2.1
289.14532	2.8
289.18500	3.3
289.21576	100.0
289.24765	3.5
290.21313	24.1
290.24591	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0913
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03923	0.8
54.20481	0.2
54.34809	0.2
55.01856	0.6
55.05482	0.2
57.03425	0.6
58.08265	0.2
61.02905	0.8
65.03913	0.2
67.05483	0.6
69.03418	2.1
69.07023	0.3
70.22312	0.2
71.04974	0.8
71.37988	0.3
71.38306	0.2
73.19045	0.2
74.09715	0.2
79.05484	0.6
81.03417	1.4
81.07043	0.6
84.04494	0.2
84.08134	0.3
85.02892	6.3
86.09720	0.4
87.04464	0.3
91.05442	0.3
93.07022	0.6
95.08601	0.5
97.02886	2.1
99.04434	1.2
103.03927	0.7
105.07024	0.4
107.04993	0.3
107.08626	0.4
109.02855	1.5
109.17490	0.2
111.00771	0.3
111.04420	0.8
119.03397	0.3
119.04944	0.3
121.10123	0.7
123.04412	1.4
123.97886	0.2
127.03896	100.0
128.04236	1.7
131.08531	0.3
135.04408	2.0
137.05957	0.3
139.03885	1.5
139.11183	0.2
144.35945	0.2
145.04929	1.2
148.49738	0.2
149.06018	0.3
149.09477	0.3
151.03918	0.7
163.03917	1.1
178.32817	0.2
179.07138	0.2
185.15218	0.2
202.98277	0.2
222.07651	0.2
259.09555	0.3
266.99902	0.2
271.06174	0.4
289.06796	0.4
289.12259	0.4
311.02103	0.2
311.52991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2156
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03925	3.6
55.05503	29.6
57.07057	6.1
59.04705	3.4
59.04992	60.6
67.05495	13.8
69.07062	10.2
69.60332	18.8
71.08601	2.4
73.06551	2.6
75.79413	1.9
79.05468	8.4
81.07040	14.5
83.04952	3.4
83.08589	5.2
85.06531	100.0
91.05466	21.7
93.07030	30.0
95.04961	6.1
95.08591	33.2
98.21388	2.8
99.08067	17.6
105.07007	14.9
107.08561	13.0
109.06496	3.8
109.10135	5.7
111.08060	4.2
117.06988	6.5
119.08552	18.3
119.53530	1.8
121.10150	8.8
123.11667	2.6
125.09605	25.4
128.06175	2.7
129.06987	5.5
131.08554	24.8
133.10118	15.0
135.08020	4.3
135.11644	4.2
137.09616	2.1
139.11140	4.6
141.07021	2.5
142.07761	11.8
143.08545	14.5
144.09352	2.8
145.10094	15.3
147.08003	2.3
147.11678	9.0
149.09581	5.1
151.11182	3.9
153.06967	2.4
155.08524	6.9
156.09331	5.2
157.10085	25.7
158.10887	9.3
159.11670	16.8
161.09528	2.2
161.13277	2.8
163.11124	2.6
165.12704	2.6
167.08556	3.7
168.09319	8.6
169.10097	7.7
170.10896	3.0
171.11690	11.6
173.09608	3.1
173.13219	32.9
174.13557	2.2
175.11191	3.0
175.14726	3.0
177.12675	5.3
181.10104	3.4
182.10867	3.6
183.11652	30.0
184.12332	3.2
185.13234	4.3
187.11090	4.1
189.12718	6.1
191.14310	3.6
195.11661	2.3
197.13205	15.3
198.13977	4.0
199.14856	11.3
201.12639	11.8
205.15900	3.6
209.13257	4.7
210.13985	2.9
211.14752	4.2
213.16406	3.8
215.14320	6.2
217.15800	5.1
224.15572	4.8
233.15231	3.3
239.17889	22.5
241.16020	2.0
257.18964	16.2
258.19070	2.0
259.16916	6.0
264.23993	1.9
271.20596	12.9
289.18140	4.0
289.21561	98.1
290.08078	8.5
290.21811	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	289.0912
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.70399	0.7
51.02359	1.3
53.03708	0.8
53.03936	9.3
55.01864	2.0
55.05501	2.0
57.03416	2.7
57.07056	0.9
61.02899	2.3
65.03927	3.6
67.05488	4.3
68.99766	1.7
69.03416	26.6
69.07057	1.8
70.06583	0.7
71.04979	10.9
71.58167	1.5
73.02894	2.6
79.05481	5.4
81.03408	26.8
81.07056	3.9
83.04959	2.0
85.02890	44.8
85.06519	1.8
87.04451	1.8
89.03900	1.9
89.05958	0.8
91.05450	2.3
93.03387	3.0
93.07026	7.3
95.04960	2.9
95.08578	3.0
97.02875	25.9
97.06509	1.3
99.04439	46.7
100.70387	0.7
103.03923	42.9
105.03350	0.9
105.07006	1.6
107.04948	3.3
107.08576	2.9
109.02861	28.5
109.06512	0.9
109.10162	1.3
111.00794	0.9
111.04416	18.4
115.03867	1.0
115.05386	0.7
117.03377	1.8
119.08593	0.9
121.02932	0.8
121.06519	0.9
121.10131	8.6
123.04408	39.4
123.08011	0.7
125.09590	1.1
127.03892	100.0
128.04228	0.9
129.07002	0.6
130.06520	1.2
130.12189	0.8
131.04918	2.0
131.08560	2.1
135.04393	48.0
135.66566	0.7
136.04791	1.6
136.07660	0.8
137.02312	2.3
137.05885	1.1
139.03873	27.5
139.11157	3.0
144.08087	6.6
145.04948	13.1
149.02293	4.6
149.05925	1.5
149.09584	3.1
150.03140	0.7
151.03877	11.9
153.01823	1.2
157.12234	1.6
159.04382	1.0
163.03864	10.3
163.05995	1.3
167.10670	4.4
169.04996	1.6
170.06068	1.0
171.09160	7.4
175.07469	0.9
179.03252	0.9
183.09055	0.9
185.06075	0.9
185.11781	0.9
187.05978	8.5
187.07417	1.1
197.05916	1.3
199.08647	31.3
200.09207	0.9
205.04965	6.5
212.27327	0.7
213.05505	0.8
213.10179	2.3
215.07082	1.1
225.10216	0.9
229.09660	8.6
231.06512	3.0
243.06534	1.7
253.07065	2.0
253.09561	0.8
259.06024	5.3
261.07587	4.4
271.05881	3.3
271.08334	1.4
271.10724	27.9
271.13678	1.4
272.11142	1.1
289.07040	6.4
289.11777	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	289.0702
Annotation	Neoplathymenin
Peak:m/z	Relative Intensity
53.03939	1.6
62.63539	1.3
63.45293	1.2
65.03932	7.9
67.05486	4.4
68.71496	1.1
68.99782	3.5
69.03413	2.7
69.19875	1.1
71.74178	2.4
74.43462	1.1
79.05470	1.7
81.03391	3.3
83.05000	1.2
85.02887	4.5
85.90303	1.1
89.03891	2.0
91.05476	2.1
93.03392	7.8
95.04965	5.5
97.02875	3.4
99.04448	4.5
103.03950	3.4
103.05427	1.8
105.03366	3.9
107.04935	15.7
109.02877	4.8
111.00754	1.3
111.04428	27.2
117.03368	3.3
121.02850	5.5
123.04412	100.0
124.04726	1.8
125.09667	1.9
127.03896	24.8
131.02902	1.2
131.04919	3.9
131.08559	1.8
135.04395	89.6
136.04744	2.8
137.02309	3.2
139.03876	52.3
141.06975	3.4
145.02794	2.6
145.04932	2.2
147.08102	1.3
149.02318	37.0
149.06006	2.5
150.02777	1.6
151.03877	25.7
153.01831	9.6
159.04396	3.5
163.03879	30.9
169.06442	2.6
173.06004	1.5
177.05415	1.6
179.03383	3.4
183.89464	1.5
185.05959	2.4
187.03915	3.8
187.07581	1.4
194.37585	1.2
197.05927	7.8
199.08655	3.4
201.05452	1.5
205.04930	1.6
213.05386	1.7
215.06995	39.8
215.93661	1.4
225.05388	2.9
229.04935	1.3
231.06454	3.9
243.06490	50.7
244.06989	2.0
245.04312	1.9
259.05994	5.0
261.07410	6.2
271.05981	27.1
271.10532	2.2
271.14261	1.2
272.06561	1.7
289.06992	21.1
289.11768	5.0
289.15088	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0699
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03922	2.0
55.01857	1.0
55.05485	0.8
65.03918	2.2
67.01846	1.3
68.99765	3.5
69.03414	3.2
70.06567	1.1
70.65867	2.0
71.04995	0.7
72.02630	0.6
72.22833	0.6
79.05463	1.6
81.03409	2.9
81.07020	1.0
83.04940	0.9
83.28258	0.6
84.08126	0.6
85.02884	3.8
91.05442	2.2
93.07024	0.9
95.04945	2.6
95.08609	0.9
97.02853	2.9
98.21357	0.9
99.04427	6.2
103.03902	1.4
105.03414	0.8
105.81738	0.6
107.04935	71.5
107.08611	0.7
108.05267	1.8
108.42964	0.7
109.02872	3.4
111.04406	4.1
119.04897	2.8
119.08539	1.4
121.02016	1.2
121.02845	13.8
121.10047	0.7
122.03167	2.0
123.04398	2.9
127.03899	12.7
129.48808	0.6
130.06488	1.0
131.04887	0.9
131.08565	1.0
135.04398	6.0
137.02277	2.1
138.02669	0.8
139.03835	3.3
141.06966	2.8
145.04942	1.4
145.06458	1.1
147.04355	1.6
147.08014	1.3
149.02315	70.6
150.02684	2.6
151.03902	0.8
153.01797	100.0
154.02214	2.2
157.09966	0.7
159.08011	1.0
163.03842	3.3
167.03355	7.7
169.06454	5.7
171.02846	1.1
173.05923	0.9
181.06473	0.7
187.06027	0.9
187.07567	1.3
195.02838	10.3
196.03323	0.6
197.05931	6.5
201.05420	0.9
215.06989	63.9
216.07303	4.0
225.05444	1.0
235.18188	0.6
242.05701	3.0
243.06482	57.5
244.06755	3.4
271.05963	17.8
272.06378	1.4
289.06998	14.5
289.11972	0.9
289.15161	0.9
289.17999	1.2
290.07294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0701
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03925	0.9
55.01868	1.5
59.12653	0.8
59.21814	0.7
65.03924	3.2
65.36623	0.9
67.01855	1.7
67.05493	2.4
68.02853	0.7
68.99771	4.2
69.03415	5.1
69.07063	1.3
70.00031	4.8
71.04971	2.2
79.05489	4.9
81.03403	3.7
81.07043	2.5
84.04513	1.1
85.02897	5.3
91.05471	2.8
93.03362	1.0
93.07024	3.6
95.04957	2.8
95.08590	2.2
97.02892	3.4
97.06570	1.1
99.04456	5.8
103.03928	2.3
105.07007	1.7
107.04941	67.4
107.08580	1.8
108.05274	1.8
109.02867	3.4
111.04420	7.2
119.04903	2.4
119.08526	1.3
121.02856	15.2
121.10091	4.9
122.03193	1.0
123.04412	5.2
123.08076	1.1
127.03893	12.1
131.04932	1.2
131.08537	1.2
135.04398	14.9
137.02376	0.9
139.03885	8.8
139.11169	1.7
141.06995	2.5
145.04932	1.6
147.04372	1.2
147.08052	1.9
149.02319	66.4
149.09653	1.3
150.02693	2.0
151.03885	3.4
153.01802	100.0
154.02184	2.7
159.07936	1.0
163.03867	4.8
167.03366	8.9
167.10669	1.2
169.06482	4.6
171.02876	1.1
173.05887	1.5
187.03860	1.1
195.02878	11.7
197.05931	5.5
201.05417	1.5
211.41193	0.8
215.07001	60.3
216.07378	3.1
225.05423	1.2
242.05768	2.5
243.06500	56.7
244.06870	2.3
257.04605	0.9
261.07568	1.1
271.06000	17.1
272.06366	1.2
289.07028	14.9
289.15030	1.1
302.17694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0701
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
57.27898	0.9
62.47637	0.9
65.03932	3.8
67.01852	0.9
68.99775	3.0
69.03412	2.8
70.93497	3.0
70.93865	1.2
71.04965	1.5
79.05467	1.0
81.03416	3.0
85.02898	5.4
88.95099	0.9
89.03869	1.2
91.05469	3.7
93.03385	2.4
95.04959	1.7
97.02869	3.0
99.04425	5.3
103.03951	2.3
105.03349	0.9
105.95485	0.9
107.04941	21.6
109.02863	3.1
109.23630	1.1
111.04420	9.8
115.05393	1.1
119.04926	2.2
121.02830	7.1
123.04421	13.7
127.03885	13.3
131.04916	1.7
131.08548	1.5
131.73598	0.9
135.04393	23.9
137.02307	2.0
139.03885	14.0
141.06967	2.1
145.02849	1.8
145.04938	1.2
147.04425	2.4
147.08083	1.4
149.02318	64.5
150.02672	2.0
151.03888	6.0
153.01810	19.0
157.06509	1.4
159.04385	2.0
159.07967	1.2
163.03894	5.0
167.03465	2.0
169.06459	3.9
169.07722	0.9
171.02896	2.0
173.05960	1.0
179.03491	1.1
185.05911	1.2
187.07613	1.7
197.05977	8.2
199.08675	1.4
201.05371	1.4
213.05411	1.1
215.06995	69.2
216.07394	4.0
229.09653	1.2
231.06453	1.1
243.06499	100.0
244.06932	4.2
253.04814	1.3
259.05975	1.6
261.07489	1.1
271.05978	42.0
271.10593	2.2
272.06412	2.2
289.06927	5.7
289.11807	4.0
289.15918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0699
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
51.27045	0.4
53.03919	0.7
55.05484	0.5
59.17616	0.4
61.02903	0.4
62.96450	0.5
65.03895	1.0
66.16602	0.4
67.01845	3.2
67.05496	0.6
68.99751	2.1
69.03425	2.8
69.63358	1.6
69.63780	2.2
71.04945	0.8
73.91057	0.4
79.05466	1.4
81.03384	1.8
81.06996	0.7
85.02892	2.8
89.03907	3.7
93.03346	0.5
95.04928	0.6
95.08545	0.8
97.02900	2.2
98.20587	0.7
99.04443	3.7
103.03886	1.1
107.04936	2.4
107.08546	0.8
109.02871	2.1
109.10094	0.4
111.00787	3.0
111.04427	3.7
117.03358	6.3
121.02808	1.0
123.03577	0.4
123.04401	7.4
124.20205	0.4
127.03896	7.0
131.04893	0.7
131.08591	0.4
135.04391	20.5
136.04668	0.7
137.02409	0.5
137.05917	0.9
139.03867	3.7
145.02844	9.7
145.04962	0.9
149.02338	0.9
151.03923	2.0
153.01801	100.0
154.02115	2.6
159.04359	1.2
161.05910	1.0
163.03880	62.1
164.04185	2.2
164.07053	0.7
171.02878	6.8
179.03392	5.7
187.03931	1.6
187.05887	0.5
205.04900	1.1
247.06030	1.0
259.06027	0.6
271.05939	2.9
289.06998	94.6
290.07397	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	289.0699
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.00253	0.3
53.03903	0.7
55.01848	0.5
61.02904	0.3
65.03910	0.4
67.01525	0.3
67.01846	2.9
67.05453	0.4
68.99773	3.5
69.03416	3.3
70.28779	0.3
71.04954	0.5
71.46980	0.3
79.05479	1.9
81.03383	2.6
81.07011	0.9
83.01298	0.4
85.02894	3.0
85.06463	0.3
89.03904	3.8
91.05438	1.1
93.03387	0.4
93.06981	0.6
95.04950	0.7
95.08553	1.1
97.02859	2.4
97.10172	0.3
99.04430	3.7
103.03911	1.7
105.03359	0.4
105.06998	0.9
107.04918	2.8
107.08573	0.7
109.02859	2.8
109.10137	0.4
111.00796	2.9
111.04415	2.5
117.02535	0.5
117.03352	6.9
118.50708	0.3
119.08558	0.6
120.08057	0.4
121.02843	0.4
121.10106	0.9
122.03165	0.7
123.03508	0.5
123.04394	4.3
125.02304	0.5
127.03884	7.2
135.04387	14.6
135.11607	0.3
136.04712	0.4
137.05913	0.5
139.03865	1.7
145.02821	11.6
145.04948	0.9
145.06409	0.4
151.03847	1.0
153.01793	98.3
154.02138	1.5
155.02228	0.6
159.04333	1.2
161.05922	0.9
163.03870	62.2
164.04222	1.0
164.07045	2.0
171.02863	7.5
171.13605	0.5
177.05374	0.6
179.03358	6.2
183.11649	0.4
186.05688	0.4
187.03882	2.1
187.05879	0.6
197.05962	0.4
205.04901	1.0
229.12242	0.5
247.06000	1.2
248.99097	0.4
253.04893	0.6
260.05881	0.5
271.05963	2.1
289.06989	100.0
290.07382	2.8
309.60544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2317
Annotation	Procyclidine
Peak:m/z	Relative Intensity
50.84031	0.4
57.07064	5.1
67.05496	1.1
69.07037	1.5
70.65668	1.3
71.08615	4.3
76.59858	0.5
79.05502	0.5
81.07017	1.4
85.10165	2.0
88.07584	0.6
91.05467	1.4
91.52348	0.5
95.08564	1.8
98.20412	0.5
105.07041	0.5
106.06537	0.8
106.08649	0.8
110.33365	0.4
117.05733	0.7
118.06532	3.7
120.08060	1.4
130.06525	0.5
132.08049	1.9
134.09615	4.3
144.08043	1.8
146.09647	0.8
156.08070	1.5
156.25101	0.5
157.08847	2.0
158.09645	0.6
160.07565	3.3
161.08195	0.5
165.05356	0.6
170.09601	0.8
172.11186	2.0
184.11247	0.5
220.01300	0.5
234.26773	0.5
270.22046	7.0
288.23172	100.0
289.23541	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	289.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21159	5.8
60.92792	5.9
62.09625	5.0
63.89400	6.1
64.17194	5.9
70.94326	17.5
76.24388	6.2
81.04562	9.1
121.27554	5.4
142.11594	5.8
150.68195	5.6
183.04985	8.5
199.06306	7.4
202.95299	5.9
205.55328	6.5
220.50615	5.3
279.02341	6.2
283.60397	6.1
289.06793	100.0
300.42264	5.6
314.97363	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	289.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.01839	2.9
57.03428	2.1
65.71503	2.2
69.03404	8.1
69.34177	2.0
70.06575	5.1
71.04976	2.8
71.80389	4.0
73.02897	2.8
81.03398	10.7
83.04306	2.6
85.02888	71.0
95.04963	4.6
97.02882	15.0
97.03422	3.0
99.04446	15.9
101.00871	2.7
103.03932	6.1
109.02855	14.0
109.06483	3.1
111.00795	5.5
111.04431	3.8
119.01912	19.6
121.02834	2.9
121.06445	2.7
123.04436	5.4
125.01611	2.4
125.73935	2.4
127.03895	83.6
127.04852	5.2
133.03418	2.6
137.05841	3.0
139.02831	4.0
139.03893	61.4
143.01862	3.5
145.03432	3.7
145.04961	3.0
151.03851	16.3
157.03499	2.6
161.02939	9.4
165.05399	6.0
169.04935	100.0
173.02885	3.7
175.05870	2.1
184.04898	2.3
187.04500	4.6
192.55675	3.4
193.04956	40.0
195.02930	3.2
205.01805	2.7
205.04974	5.9
223.06013	24.1
226.05177	2.1
235.05965	17.5
245.05054	4.1
247.02928	4.0
253.06996	4.9
277.46954	2.1
289.06442	30.8
289.09195	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	288.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.05496	1.5
57.07066	9.7
58.06592	0.7
59.04984	1.0
67.05489	5.9
69.03405	0.6
69.07056	16.4
70.06573	7.6
71.08619	3.1
71.81253	0.5
79.05467	1.8
80.02856	0.6
81.07037	11.2
83.04960	1.0
83.08603	4.6
85.10158	1.2
86.09690	0.9
88.07614	9.7
91.05457	7.4
93.06488	1.0
93.07028	13.2
95.04951	8.0
95.08592	2.2
98.06026	0.8
98.21396	1.1
102.09150	2.6
103.05454	8.3
105.07025	1.0
106.08656	8.1
107.04942	0.6
107.08575	4.6
109.06501	4.8
109.10142	10.5
112.07570	4.0
113.13540	0.5
119.04925	0.7
120.05692	0.6
121.06481	100.0
122.06818	1.8
123.08043	1.2
123.11677	13.2
124.12008	0.6
125.13241	7.1
133.10120	1.1
135.04388	0.8
138.09122	2.5
146.06023	1.1
151.11151	7.1
164.07043	19.1
168.13861	5.0
176.09937	0.5
198.90089	0.6
220.13231	0.6
232.13277	1.1
270.27838	3.1
288.05795	2.1
288.19547	46.7
288.28906	65.5
289.20053	1.1
291.18768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1226
Annotation	Carbazomycin H
Peak:m/z	Relative Intensity
52.03150	0.2
53.03928	0.4
55.01865	0.5
65.03928	0.9
67.05491	1.3
68.05822	0.2
68.99784	0.3
69.07034	0.2
70.46909	0.8
71.04969	0.2
77.03925	0.3
80.05772	0.1
81.07057	0.5
82.07394	0.2
85.02887	0.4
91.05454	0.5
92.15052	0.2
93.07024	0.2
95.04948	0.9
95.08569	0.4
96.08907	0.3
99.04433	0.3
103.05492	0.2
105.03376	0.2
107.04967	0.2
107.08569	0.2
108.02074	1.2
109.02876	0.6
111.00752	0.2
111.04404	1.0
112.01572	0.2
119.04921	0.2
120.08080	1.4
121.02848	3.3
121.03827	0.3
121.03980	0.3
122.03187	0.5
123.04396	0.4
127.03865	0.5
131.08466	0.2
135.04398	0.5
136.01563	0.5
137.02367	0.2
139.03848	0.2
141.05438	3.1
146.06015	0.2
151.03882	100.0
151.04907	5.2
152.04205	1.8
153.01819	0.8
154.02165	0.7
173.13339	0.2
196.58908	0.2
214.05856	0.3
228.07295	0.3
242.05113	0.2
270.11206	9.4
271.11493	0.3
277.90341	0.2
288.05795	14.8
288.12326	0.6
289.05936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1225
Annotation	Noraugustamine
Peak:m/z	Relative Intensity
53.03938	0.7
55.01866	0.6
55.05493	0.8
56.08161	0.3
64.43165	0.4
65.03931	1.9
67.05479	0.6
69.03412	0.5
69.77020	1.3
69.77452	1.7
70.06554	0.5
71.01335	0.4
71.04980	0.4
76.85351	0.3
79.05019	0.5
79.05473	5.6
80.05640	0.4
81.03399	2.1
81.07040	0.5
82.07367	0.4
83.04954	0.9
84.08122	0.4
85.02878	0.6
93.03374	0.5
95.04952	1.9
95.08608	0.6
96.02065	0.5
97.02854	0.5
99.04429	0.7
103.05441	4.4
105.07008	77.6
106.07354	1.2
109.02857	5.4
111.04403	1.2
115.27290	0.4
121.02849	0.7
122.09639	3.7
123.04409	1.3
125.02348	0.8
126.03113	9.5
127.03884	1.5
130.06512	1.0
135.04428	1.1
137.02330	1.2
139.03838	0.5
141.05431	10.9
148.07520	2.9
151.03865	1.5
153.01843	0.8
154.02026	0.5
157.04939	9.1
157.06120	0.3
167.03363	100.0
168.03731	1.9
264.80722	0.4
270.07758	0.4
288.05789	14.2
288.12238	53.2
289.06705	0.5
289.12576	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87565	1.1
53.03932	3.0
55.01852	5.1
56.07685	1.0
57.03415	4.0
61.02904	2.6
67.05453	1.6
69.03407	5.3
70.06565	2.7
70.16277	5.7
72.08137	2.1
72.22742	1.2
73.02903	1.2
79.05473	3.1
79.35771	1.3
81.03410	3.2
81.07053	2.8
83.04998	2.9
84.04484	2.9
85.02374	1.6
85.02894	25.6
87.04488	1.3
91.05457	4.8
93.07033	6.7
95.04954	4.9
97.02874	7.6
98.98472	2.0
102.85678	1.2
103.03938	4.8
103.05431	1.5
105.06983	1.4
107.04948	2.5
107.08540	1.6
109.02870	4.2
109.06501	4.0
111.04370	1.5
116.07028	2.0
117.06992	1.8
119.08525	1.9
121.02869	1.3
121.06485	51.7
123.04435	3.6
125.05974	24.7
127.03910	2.8
129.07008	1.0
130.04982	2.0
131.04832	1.7
131.08562	1.5
133.06436	1.2
135.04405	1.7
135.08046	5.8
135.08904	1.2
137.02310	4.3
137.05957	100.0
138.06276	2.4
141.06938	1.4
145.04922	2.8
145.06451	3.5
147.04405	2.8
147.08029	2.5
149.05956	82.9
150.06332	2.7
151.03854	2.1
153.01813	1.7
157.06364	1.1
159.07983	2.9
161.05930	9.8
163.03908	1.4
163.07504	4.3
165.05498	3.8
167.07013	55.3
169.06462	1.2
175.07545	2.8
177.05473	1.7
177.09050	1.2
179.07086	2.7
185.06044	1.4
187.07486	3.7
191.07005	30.7
200.98383	1.6
203.07071	2.5
205.08723	1.4
213.05431	1.8
215.06961	7.1
221.08060	10.4
226.07382	1.4
231.06642	1.3
233.08099	14.0
241.04947	1.7
241.10056	1.9
251.09109	6.9
269.09927	1.3
287.05457	57.0
287.10858	21.3
287.16336	2.0
288.05869	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	287.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.3
55.05486	2.2
57.03412	3.2
61.02914	3.4
63.00029	2.2
64.99742	2.5
67.05482	3.2
68.99781	1.5
69.03406	5.9
70.06577	6.5
70.27758	2.7
70.28180	4.2
71.05002	1.8
72.08139	3.9
73.02890	1.6
73.15009	1.4
77.66444	1.2
77.69806	1.2
79.05461	3.6
81.03398	3.1
81.07039	3.9
82.03716	1.2
84.04492	1.3
84.08110	2.3
85.02895	24.9
86.09689	3.9
91.05456	7.6
93.07021	7.1
95.04938	4.9
95.08592	1.6
97.02873	8.4
98.98441	2.3
103.03918	5.5
105.03397	7.1
105.06983	3.2
107.04922	5.0
107.08547	2.1
109.02847	5.6
109.06486	3.9
111.08078	1.5
115.05443	1.7
117.07011	2.8
119.08557	3.0
121.02824	1.9
121.06487	48.7
122.06836	1.5
123.04388	4.8
125.05977	26.4
125.88530	1.3
127.03905	2.6
128.06166	1.8
129.10229	1.8
131.04965	1.4
131.08562	2.7
135.04411	1.8
135.07994	6.4
137.02348	2.3
137.05965	100.0
137.09523	1.9
138.06326	2.0
139.03906	1.4
141.06935	1.5
144.13780	1.6
145.04907	2.4
145.06459	4.8
147.04382	1.6
147.08020	2.2
149.05960	81.0
150.06276	2.8
151.03841	2.5
152.39230	1.2
153.01791	2.0
159.08022	3.6
161.05943	14.9
163.03864	3.8
163.07536	6.7
165.05490	4.9
167.07019	56.5
173.05989	1.7
175.07480	2.1
176.98471	1.7
177.09116	1.8
179.07016	2.6
187.07492	6.0
191.06987	24.2
203.07031	3.4
205.08682	2.6
213.05365	2.0
213.10381	1.5
215.07016	6.0
220.25832	1.4
221.08176	6.5
233.07964	10.1
241.04875	2.1
241.09735	3.7
251.09045	7.9
259.06107	2.1
259.14529	1.6
269.04453	2.4
269.10089	2.5
269.12726	3.4
286.95749	1.8
287.05460	51.0
287.10919	23.4
287.14023	3.8
287.16574	2.1
287.19821	1.9
288.05862	2.6
296.67175	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00035	0.8
64.99729	0.8
69.03417	0.9
69.07056	0.6
69.90704	3.2
70.06318	0.4
70.06583	4.3
72.08128	1.8
74.63920	0.6
84.04481	0.7
84.08131	1.7
85.02886	1.6
86.09696	1.2
88.03976	1.0
91.05479	0.9
95.04959	1.1
95.08588	0.7
98.21413	1.0
98.98396	0.7
101.00827	1.4
107.04922	0.7
107.06096	0.5
109.02817	0.6
110.07126	1.1
111.04433	0.9
112.07589	2.1
113.07981	1.1
116.07092	0.5
119.01898	6.5
119.04829	0.6
120.02168	0.6
121.06493	1.0
123.04379	0.6
123.11719	0.8
124.03928	2.0
125.04261	1.7
125.07094	1.3
126.05499	0.6
131.01904	1.1
135.04390	1.8
137.02174	0.6
137.03078	0.6
140.07045	1.5
143.01865	9.4
150.05457	1.4
153.05479	1.0
161.02939	19.1
162.03210	0.9
163.03860	3.6
165.01880	0.7
165.05479	1.4
165.07806	3.0
166.03230	4.7
167.06834	0.5
173.02916	1.1
179.06929	0.8
181.03349	0.7
184.04538	0.9
187.04538	0.6
198.05927	0.9
203.03912	3.2
207.04749	1.4
214.98843	0.6
221.05011	2.4
227.07425	0.7
270.04297	0.7
270.07932	1.7
287.06070	13.1
287.10971	100.0
288.05789	0.7
288.11441	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	287.0544
Annotation	Cyanidin
Peak:m/z	Relative Intensity
52.27114	0.1
53.03935	0.2
54.83493	0.1
55.01838	0.2
55.05478	0.2
63.00023	0.2
67.01852	1.4
67.05496	0.8
68.99773	1.1
69.03403	0.3
69.07034	0.2
70.06580	0.1
71.04982	0.6
71.81618	0.2
72.14825	0.1
79.05466	0.8
81.03398	0.2
81.07012	0.4
83.04937	0.2
83.08585	0.1
85.02856	0.1
85.06522	0.1
89.03880	0.4
91.05447	1.0
93.07016	0.6
95.04935	0.3
95.08603	0.5
97.02876	0.3
97.06512	0.3
98.98502	0.1
99.08082	0.2
105.03362	0.3
105.06979	0.2
107.04922	0.9
107.08595	0.3
108.05260	0.3
109.02857	0.4
109.06490	0.1
109.10127	0.1
111.00779	0.3
111.04410	0.4
111.08114	0.1
115.03861	0.2
115.05403	0.2
117.03386	0.6
117.07049	0.2
119.08556	0.9
120.08066	0.2
121.02822	1.4
121.06458	0.1
121.10090	0.3
122.03148	0.2
123.04370	0.3
123.07999	0.2
127.03864	0.3
129.01820	0.3
129.06981	0.2
133.02724	0.1
133.10072	0.2
135.04381	3.6
135.08006	0.2
137.02319	1.7
137.03365	0.2
137.05974	0.3
137.09554	0.2
143.04950	0.1
145.06444	0.2
145.08917	0.1
145.10004	0.2
147.04385	0.3
147.07993	0.3
147.11586	0.1
149.02313	1.1
149.09598	0.1
149.13319	0.1
151.03929	0.1
153.01797	9.4
153.06940	0.3
154.02168	0.2
157.06473	0.6
159.11699	0.2
161.02271	1.0
163.03923	0.2
163.07500	0.1
165.01794	0.5
165.05437	0.5
165.09088	0.3
167.07025	0.2
167.08430	0.2
171.02867	1.1
171.04222	0.2
175.07556	0.2
179.03381	0.5
181.06470	0.3
183.02863	0.2
184.05138	0.1
185.05858	0.6
189.05441	0.1
195.04266	0.1
195.08006	0.2
199.03954	0.2
199.07507	0.2
203.03322	0.2
212.04648	0.4
213.05386	1.0
225.05263	0.1
227.03563	0.1
227.06979	1.6
227.10403	0.1
229.04771	0.2
231.06500	1.0
241.04927	1.3
241.09924	0.2
243.06288	0.1
245.04472	0.2
255.06516	0.6
256.07138	0.1
258.05212	0.3
259.05984	1.1
269.04504	0.8
269.08582	0.2
270.12112	0.2
272.06784	0.2
287.05438	100.0
288.05771	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	287.0543
Annotation	Fisetin
Peak:m/z	Relative Intensity
62.56793	0.2
65.03916	0.4
67.01840	0.3
68.99438	0.2
68.99776	2.7
69.03397	0.3
71.60131	0.3
79.05477	0.7
81.03403	0.3
88.28223	0.1
89.59439	0.1
95.04932	0.4
103.05428	0.4
104.05128	0.1
105.03371	1.0
107.04924	1.2
109.02877	0.8
109.58717	0.1
111.00782	1.5
111.04407	0.4
121.02845	7.6
121.06380	0.1
127.03859	0.3
128.06189	0.3
129.03262	0.1
129.07028	0.4
130.33504	0.1
131.13123	0.2
133.02783	0.8
135.04381	0.3
137.02312	2.3
141.06915	0.4
145.06459	0.6
147.04375	1.6
153.01794	12.6
157.06442	1.2
161.05937	0.6
165.01799	3.5
169.06503	0.2
169.72951	0.2
171.04353	1.0
175.03941	0.2
175.07623	0.2
183.02881	1.7
183.04424	0.3
185.05948	1.1
189.05452	0.3
197.06035	0.2
203.03433	0.2
203.07024	0.4
213.05420	3.5
217.05061	0.2
229.04971	0.5
231.06479	1.3
241.04893	1.7
243.06496	0.2
258.05179	2.4
259.05838	0.9
269.04410	0.5
287.05435	100.0
288.05774	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03527	0.1
53.03899	0.1
65.03927	0.1
67.01836	0.3
68.99429	0.1
68.99775	1.6
69.03427	0.1
70.94722	0.2
70.95080	0.2
71.01328	0.1
76.79588	0.1
79.05476	0.6
81.03387	0.2
85.49990	0.1
91.05461	0.1
95.04941	0.3
97.02848	0.1
103.05431	0.2
105.03368	0.7
107.04929	0.9
109.02849	0.6
111.00776	1.2
111.04427	0.3
115.05410	0.1
117.06984	0.2
119.04932	0.1
121.02840	5.6
121.03848	0.2
121.06432	0.1
122.03159	0.1
123.04368	0.1
127.03856	0.3
129.06963	0.4
133.02841	0.8
135.04376	0.4
137.01263	0.1
137.02309	1.8
141.06952	0.2
145.06441	0.4
147.04375	1.1
149.05969	0.1
153.01790	9.4
154.02156	0.2
157.06464	1.2
157.39238	0.1
161.02309	0.1
161.05952	0.3
165.01805	2.9
166.02396	0.1
169.06456	0.1
171.02986	0.2
171.04353	0.5
175.03903	0.1
175.07506	0.2
177.01447	0.1
179.03482	0.1
183.02870	1.3
185.05923	0.9
189.05438	0.3
197.05931	0.3
201.05431	0.1
203.03241	0.1
203.07001	0.2
212.04536	0.1
213.05411	2.9
217.04907	0.2
229.04901	0.4
231.06479	1.0
241.04895	1.7
242.05562	0.2
243.06432	0.2
245.04407	0.1
258.05185	2.0
259.05988	0.8
263.05344	0.1
269.04340	0.5
286.04535	0.1
287.05426	100.0
288.05759	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	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
55.01869	0.1
65.03917	0.3
67.01850	0.2
67.05502	0.2
67.81353	0.1
68.99438	0.2
68.99782	1.9
69.03403	0.4
69.07061	0.1
71.00379	0.2
71.00774	0.2
71.01311	0.1
79.05486	0.5
81.03389	0.2
81.07033	0.4
85.02885	0.1
90.87627	0.1
91.05448	0.2
93.07031	0.2
94.04163	0.1
95.04947	0.5
95.08591	0.3
97.02855	0.1
98.98429	0.1
103.05383	0.2
105.03381	2.4
105.06991	0.2
106.03706	1.5
107.04941	1.7
107.08556	0.3
108.05264	0.4
109.02878	0.8
109.10136	0.2
110.02664	0.1
111.00779	1.4
111.04409	0.4
115.05408	0.1
117.07016	0.1
119.04926	0.3
119.08633	0.1
121.02850	6.0
121.06490	0.1
122.53409	0.1
125.05882	0.1
127.03893	0.5
129.06963	0.3
131.04866	0.2
133.02838	0.6
135.04407	0.4
136.07602	0.1
137.02321	2.1
137.05923	0.1
139.00235	0.1
141.06960	0.2
145.06522	0.7
147.04379	1.2
147.08009	0.1
147.11650	0.2
149.09489	0.1
151.03827	0.1
153.01805	9.1
153.06953	0.2
157.06465	1.4
161.05991	0.4
163.03871	0.2
164.06972	0.1
165.01808	3.0
165.05501	0.2
166.02325	0.2
169.06467	0.1
171.03058	0.1
171.04308	0.6
175.03879	0.2
175.07602	0.1
181.04930	0.2
181.06447	0.1
183.02861	1.7
184.05209	0.1
185.05959	1.2
189.05444	0.3
197.05969	0.3
201.05513	0.1
203.06999	0.3
212.04593	0.5
213.05437	2.9
217.04770	0.1
226.06233	0.2
227.06972	1.4
229.04948	0.4
231.06503	1.1
241.04893	1.4
243.06451	0.2
245.04395	0.1
251.20053	0.2
255.06418	0.5
257.04279	0.1
258.02637	0.2
258.05237	2.0
259.05978	0.7
262.17438	0.1
269.04398	0.3
269.09192	0.2
270.12097	0.2
272.06696	0.1
287.05457	100.0
288.05801	4.3
288.08502	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Cyanidin
Peak:m/z	Relative Intensity
67.01851	1.3
68.99778	1.1
69.03445	0.1
71.24928	0.2
71.25270	0.1
75.96284	0.1
79.05476	0.2
81.03397	0.2
81.07047	0.1
89.03899	0.5
95.04906	0.1
97.02856	0.2
107.04947	0.3
109.02859	0.1
111.00792	0.3
111.04420	0.2
115.05416	0.1
117.03359	0.6
119.08574	0.1
121.02853	0.5
123.11732	0.1
125.02325	0.1
129.01788	0.3
135.04390	3.7
137.02315	1.2
139.05441	0.1
145.06509	0.1
145.34660	0.1
147.04379	0.2
153.01801	9.9
154.02158	0.2
155.04936	0.1
157.06453	0.3
161.02310	1.2
165.01825	0.2
167.04865	0.1
171.02863	1.2
171.04329	0.1
179.03365	0.4
183.02888	0.1
185.05873	0.4
189.05408	0.1
194.14371	0.1
195.04346	0.1
203.03403	0.3
213.05325	0.6
217.04865	0.1
219.06483	0.1
221.05348	0.1
231.06430	0.3
241.04863	1.2
245.04364	0.3
246.07843	0.1
259.05939	0.3
263.05212	0.2
269.04446	0.8
287.05444	100.0
288.05780	4.5
288.09058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Cyanidin
Peak:m/z	Relative Intensity
50.51190	0.1
50.84484	0.1
53.03920	0.2
53.69239	0.1
55.01837	0.1
55.20239	0.1
65.03920	0.3
65.17847	0.1
67.01853	0.2
68.99440	0.1
68.99776	1.7
69.03407	0.1
69.49995	0.3
69.50424	0.7
69.69153	0.1
71.01332	0.1
79.05482	0.5
81.03411	0.1
95.04954	0.2
100.68130	0.1
103.05434	0.3
105.03370	0.8
107.04929	1.0
109.02834	0.6
111.00787	1.2
111.04426	0.3
111.65792	0.1
117.07054	0.1
119.04888	0.1
121.02843	5.7
121.06518	0.1
127.03873	0.2
128.06107	0.1
129.06987	0.3
133.02814	1.0
135.04398	0.3
137.02319	1.8
141.06996	0.3
145.02817	0.1
145.06462	0.4
147.04393	1.2
153.01797	9.1
154.02116	0.1
157.06447	1.1
160.87801	0.1
161.05940	0.3
165.01816	2.9
169.06473	0.2
171.04370	0.6
171.25630	0.1
175.03836	0.1
183.02867	1.4
185.05917	0.9
185.63589	0.1
189.05472	0.2
194.02147	0.1
197.05931	0.2
199.03899	0.1
203.03349	0.2
203.06966	0.2
213.05428	2.8
216.04199	0.2
217.05016	0.1
219.06363	0.1
229.04915	0.3
231.06519	1.0
241.04906	1.6
242.05530	0.2
243.06471	0.2
258.05225	2.0
259.05978	0.7
269.04416	0.4
287.05438	100.0
288.02756	0.1
288.05814	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00026	0.8
67.05488	0.7
71.44574	0.7
71.44889	0.7
91.05481	0.7
95.08600	1.0
98.98437	1.1
101.00069	0.6
101.00865	2.3
119.01908	21.0
119.80214	0.6
120.01976	4.1
121.01656	4.4
131.08591	0.7
134.99879	1.7
137.02940	11.5
138.03036	1.8
139.02670	2.5
142.03468	2.1
145.03406	0.8
147.16083	0.7
147.40564	0.7
153.01907	1.0
157.03448	1.4
158.99873	1.6
160.04570	1.1
161.02945	1.3
165.05469	1.0
175.04503	0.6
176.00179	1.7
177.00928	24.4
178.01022	3.2
179.00665	5.0
180.00775	8.3
181.00462	1.1
185.02989	2.6
191.04012	0.7
199.04453	1.1
200.00139	0.7
200.02370	0.6
200.04742	1.2
203.04004	2.0
215.04054	1.7
217.22664	0.6
218.01212	15.4
219.01979	19.5
219.04070	1.0
220.02013	3.1
220.04039	2.4
220.30127	0.6
221.01724	8.7
222.01892	15.4
223.01492	2.4
227.04021	1.5
227.07706	0.6
227.98512	0.8
228.00943	1.8
239.98543	0.9
240.98062	7.5
242.03374	0.8
245.01598	1.4
245.05296	4.1
245.99327	2.2
246.01964	4.7
247.01823	1.0
250.00250	3.7
258.96576	1.3
261.03110	0.8
262.03073	1.3
262.99872	0.8
263.02786	24.2
264.00424	54.9
264.03027	100.0
264.97729	1.1
265.00446	3.9
265.02908	9.8
282.01547	22.6
283.01642	2.5
286.04361	1.8
286.99466	1.5
287.02026	9.7
287.05191	13.6
287.16418	1.3
305.00635	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2007
Annotation	Heliovicine
Peak:m/z	Relative Intensity
53.03924	0.4
55.01849	0.6
55.05500	2.4
56.05011	0.5
57.03415	0.6
57.07065	8.9
58.06601	1.9
60.04495	1.3
61.14217	0.3
67.05491	5.2
68.04675	0.6
68.05016	7.6
69.03413	0.4
69.07056	3.4
69.83290	2.5
70.02938	1.8
70.06564	1.0
71.04955	0.6
71.08239	0.7
71.08615	11.5
72.04485	0.5
79.05469	1.3
80.04994	0.9
81.07040	5.7
82.06544	1.1
83.04943	0.8
83.08580	1.3
84.04484	1.5
85.10165	6.9
86.06052	5.9
86.09677	0.9
88.03978	2.6
91.05450	0.6
93.07021	0.7
94.06559	0.9
94.50642	0.3
95.08591	7.4
96.04469	4.4
96.08130	0.5
97.10164	0.5
98.06001	1.6
98.20763	0.5
99.87357	0.4
102.05533	0.3
105.07030	0.5
106.06554	0.4
107.04938	1.1
107.08563	0.7
109.10131	0.9
110.06017	1.4
112.07561	0.5
114.05501	1.9
116.03435	2.7
117.07039	0.5
119.08519	0.4
121.02853	0.8
121.10112	0.7
124.07560	1.6
128.03456	0.7
132.06532	6.8
132.10095	0.3
133.10092	0.4
137.13231	0.7
142.05000	0.3
144.06558	0.3
146.86180	0.3
153.01808	0.3
155.14275	2.7
156.56496	0.3
170.08115	0.7
171.11623	0.3
173.13155	0.7
192.17430	0.7
194.19002	2.5
202.00642	0.3
204.17461	0.7
206.18921	0.4
210.04462	0.3
210.18581	1.7
222.18480	5.8
224.20020	0.5
240.19536	20.0
241.19775	0.6
256.19019	1.5
268.19034	4.5
269.18994	0.6
271.74283	0.4
286.20074	100.0
287.05460	4.3
287.16895	0.5
287.20325	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	286.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03419	1.1
61.02901	1.2
69.03414	2.2
70.06581	100.0
71.04972	1.5
71.06908	0.8
71.77928	0.7
73.02901	1.8
81.03407	0.9
84.08131	15.1
85.02897	5.9
89.06005	1.1
90.67348	0.5
97.02889	2.9
99.04424	0.9
101.00864	0.6
101.10774	2.7
106.06551	3.3
107.07065	2.6
108.08077	0.5
109.02914	0.5
110.07135	0.5
112.07588	99.0
113.07937	1.3
119.01875	1.7
124.03921	1.2
124.07562	3.4
127.03905	1.8
129.10223	1.9
130.08592	0.6
131.01820	1.2
140.07045	38.3
141.07365	0.9
143.01917	1.1
145.04964	0.9
149.02905	0.4
152.07034	0.8
155.01888	0.8
157.03476	0.8
161.02953	1.2
163.03891	0.9
173.02966	1.6
183.05046	1.1
185.09012	0.6
192.05495	0.8
203.03995	1.0
215.00357	0.6
244.16527	0.7
245.05089	1.1
250.10710	1.3
268.16525	2.6
283.06949	0.6
286.13080	2.4
286.17575	60.5
287.17905	2.8
305.64395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1432
Annotation	Carbazomycin D
Peak:m/z	Relative Intensity
53.03933	1.2
54.59914	0.3
57.03427	0.4
57.07048	0.4
65.03932	0.4
66.04726	0.4
67.05492	0.6
69.03421	0.5
70.06574	0.9
71.78716	0.4
74.65500	0.3
77.03922	0.6
79.05476	8.1
81.03392	0.7
81.07051	0.9
83.04967	0.3
84.08128	0.5
85.02894	0.6
91.05457	0.3
94.04181	1.5
95.04958	3.0
95.08631	0.5
98.06026	0.5
98.98472	0.4
103.05439	3.7
105.03420	0.7
105.07010	58.5
106.07341	1.2
107.04939	3.8
109.02854	2.6
109.06499	1.8
121.02853	1.3
121.06438	0.4
122.03609	2.2
124.05188	33.1
125.05969	0.4
126.03120	0.6
126.76962	0.3
130.06474	0.6
139.07516	18.2
148.07535	1.5
153.01836	1.1
155.06995	4.6
165.05444	100.0
166.05788	1.7
175.01564	0.7
223.72966	0.3
269.11472	0.4
286.14331	53.5
287.05438	9.9
287.08661	0.5
287.14694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1432
Annotation	(S)-Coclaurine
Peak:m/z	Relative Intensity
53.03934	0.6
57.19106	0.4
64.12856	0.5
67.93613	0.4
70.11419	1.9
79.05476	0.9
91.05468	1.3
93.22921	0.4
95.04938	1.2
97.74294	0.5
98.20650	0.6
103.05484	0.4
107.04932	100.0
108.05280	1.4
115.05428	5.2
117.06974	0.7
119.04926	1.3
121.06487	1.2
124.03957	0.6
131.04922	2.4
137.05959	7.3
143.04889	8.7
144.05545	0.9
145.06456	6.9
151.07501	1.7
155.52058	0.4
160.05173	2.6
163.07521	1.4
165.06914	0.6
166.07755	0.8
175.07497	13.6
176.08209	0.7
178.08609	1.3
181.06505	1.1
181.10072	1.6
190.07745	0.8
191.08539	3.3
194.07254	3.0
195.07996	0.6
197.06006	0.5
209.09590	7.4
218.07213	0.5
219.08038	1.3
222.06635	0.5
223.07480	0.6
236.08289	0.5
237.09065	11.6
238.09535	0.6
239.06949	0.6
254.09427	2.4
269.11673	36.6
270.11963	1.3
286.14319	60.1
287.05426	0.5
287.14658	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03169	0.3
53.03935	0.3
55.01870	0.3
55.38017	0.2
63.00050	0.2
65.03934	0.9
67.01852	0.5
67.05492	1.4
68.99783	0.5
69.07063	0.2
69.57310	0.8
69.57738	1.0
81.03426	0.3
85.02875	0.4
91.05501	0.3
93.03396	0.2
93.07058	0.2
95.04948	1.3
95.08595	0.3
96.97559	0.2
97.06512	0.4
105.03370	0.8
105.07000	0.2
107.04953	0.9
107.08598	0.2
108.02077	1.6
109.02860	0.5
111.04430	0.8
121.02850	2.5
121.03942	0.3
124.03953	0.3
124.94746	0.2
127.03934	0.3
129.14375	0.2
133.02818	0.2
135.04410	0.7
136.01526	0.5
137.02333	0.5
141.05449	3.2
144.07938	0.2
151.03883	100.0
151.04939	6.3
152.04213	2.2
153.01794	2.4
154.72284	0.2
161.01215	0.4
163.03807	0.2
171.02861	0.3
185.05811	0.3
213.05473	0.3
222.06049	0.2
226.09465	0.3
241.04971	0.4
254.08998	0.4
258.04874	0.4
259.09570	0.4
269.04306	0.4
269.11624	0.3
279.52338	0.2
286.04568	0.3
286.07480	0.4
286.10724	1.6
286.13785	0.8
287.05450	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	286.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.3
55.01855	0.9
55.96443	0.4
56.96543	0.5
65.03931	4.1
67.05486	1.3
69.07071	0.8
70.06573	0.6
71.70166	0.7
75.48299	0.4
79.05477	0.6
81.07028	0.7
90.42554	0.4
91.05470	0.9
95.04934	0.9
97.06509	1.1
98.98439	0.4
105.03389	1.8
105.07001	0.4
107.04942	7.6
108.02113	1.0
109.02892	0.4
111.04425	12.0
118.06540	1.1
120.04458	0.5
121.02844	100.0
122.03152	1.7
124.03930	1.0
124.13325	0.4
134.05986	1.0
135.04387	2.9
136.07542	0.8
138.05527	0.3
141.05432	1.8
151.03882	50.0
151.04958	3.0
152.04202	1.4
153.01816	1.5
155.45555	0.4
161.01172	0.8
163.03883	0.9
165.01848	0.4
166.08717	0.5
167.07019	0.9
169.60622	0.3
211.07446	0.4
213.05287	0.5
240.21507	0.4
254.08093	2.2
258.05121	0.6
259.09723	0.7
267.03738	0.4
286.07687	0.7
286.10727	16.5
286.14230	1.6
286.17493	0.7
287.05453	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2208
Annotation	Retinaldehyde
Peak:m/z	Relative Intensity
53.03949	3.0
55.01840	2.7
55.05513	14.4
57.07060	4.6
62.09455	2.5
67.05492	15.3
69.07057	48.8
71.04978	8.9
71.28252	7.0
76.65232	2.6
79.05464	11.3
81.07044	30.9
83.02587	2.5
83.04989	3.5
83.08602	10.7
83.45667	2.1
91.05472	20.1
93.07017	23.5
95.04942	9.7
95.08600	36.2
97.06516	18.3
97.10139	5.9
105.07014	56.6
106.35525	2.3
107.08587	25.9
109.06499	25.7
109.10139	24.6
111.08031	6.6
115.05479	2.9
117.06989	5.0
119.08569	70.3
121.06464	10.1
121.10147	30.8
123.08044	3.3
123.11691	21.2
125.84206	2.2
129.06976	3.9
131.08549	9.5
131.29276	2.3
133.10106	42.1
135.08037	8.9
135.11664	15.2
137.09598	9.5
143.08553	5.7
145.10127	17.3
146.07222	6.1
147.08110	2.5
147.11661	19.7
149.09581	3.2
149.13239	4.0
155.08476	3.3
156.09428	2.7
157.10095	4.6
159.11684	8.1
161.09602	100.0
161.13220	7.9
163.14801	2.6
169.10158	7.7
171.11720	4.9
173.13184	5.3
175.11209	3.8
175.13362	3.9
175.14812	46.0
177.16359	9.0
183.11694	4.4
185.13246	13.2
193.15811	10.5
197.13187	7.3
199.14934	2.7
201.16336	4.0
211.14775	10.2
215.17940	4.5
222.91403	2.5
267.21033	9.4
281.17984	2.6
285.07495	3.7
285.19046	3.8
285.22089	22.4
285.29852	3.3
288.49017	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77226	1.5
53.03927	4.5
55.01844	5.8
55.05499	13.9
56.44412	1.6
57.03428	36.7
57.07067	1.8
58.23335	1.6
58.75626	1.6
63.00026	2.4
67.05492	33.1
68.99771	4.1
69.03414	5.4
69.07043	6.9
70.06566	7.5
71.04986	7.9
71.06905	2.2
79.05074	2.5
79.05482	27.1
79.50471	1.8
81.02927	3.9
81.03402	66.9
81.07043	37.1
82.07414	2.8
83.04961	15.8
83.08610	23.6
83.94389	1.8
85.02894	55.8
90.80347	1.8
91.05465	37.7
93.07036	18.5
95.04949	35.9
95.08595	18.5
97.02868	2.7
97.06522	8.8
97.10138	2.1
99.08076	1.9
103.05461	3.4
105.03374	5.6
105.07016	26.7
107.04937	100.0
107.08590	7.9
109.06509	9.0
109.10142	6.2
111.04411	5.0
111.08056	14.8
112.07588	4.2
113.05994	5.1
113.07928	3.2
115.05415	11.7
117.06989	5.0
119.04897	3.2
119.08566	23.1
121.02856	3.2
121.06487	6.8
121.10127	12.7
123.08025	4.9
123.11660	3.5
124.03938	3.5
129.06973	10.6
131.04932	2.2
131.08527	10.3
133.06471	4.5
133.10126	12.7
137.05975	8.1
137.09579	1.9
139.05511	2.0
142.07764	1.7
143.04889	14.7
145.02744	1.8
145.06487	12.6
145.68700	1.9
147.08020	3.9
147.11649	21.7
149.09587	6.4
151.03868	2.8
151.07587	3.1
153.01862	2.9
155.04892	4.8
157.10080	13.0
160.05176	2.9
161.05952	3.9
165.07037	3.5
165.12686	3.9
173.06024	3.8
175.07506	6.9
175.11151	18.5
177.01839	2.1
178.08675	4.3
181.04936	2.4
181.06467	1.9
183.04387	2.9
187.03944	2.9
190.07346	3.6
191.03441	1.8
191.08440	3.6
192.08781	10.3
193.09200	6.4
193.12212	65.9
194.07181	2.3
194.09558	6.8
194.12485	3.4
201.05453	9.4
202.06125	1.5
209.09602	7.6
211.13261	49.8
218.06773	3.8
220.08440	3.6
221.08861	2.3
222.08981	9.4
225.09119	2.8
229.04903	30.4
237.09145	5.7
239.09134	2.4
253.08514	4.9
253.11191	3.9
254.11520	15.5
257.04407	25.4
258.04636	1.8
267.03067	2.0
267.12036	2.3
267.15866	7.9
269.11710	23.9
285.03906	99.1
285.12213	3.5
285.16992	75.1
286.04187	9.4
286.14343	74.3
286.17151	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.95383	1.6
53.03925	3.4
53.80258	1.6
55.01846	4.9
55.05268	1.6
55.05499	23.1
57.03426	51.3
57.03839	2.0
57.07056	3.0
59.04963	3.4
65.03896	2.3
67.05492	36.5
69.03391	5.9
69.07049	12.7
70.23101	10.2
71.04977	12.6
71.08595	2.7
72.05599	1.6
75.25922	1.7
77.08792	1.8
79.05473	32.5
81.03401	81.6
81.06604	3.4
81.07040	46.4
83.04965	18.7
83.08602	32.0
85.02889	91.9
85.06512	4.2
91.04916	2.8
91.05460	47.4
93.07031	27.0
94.07344	2.1
95.04942	36.2
95.08588	20.2
97.02840	2.7
97.06493	7.7
97.10123	5.3
98.20779	2.0
98.98425	2.0
105.07012	37.2
107.04929	5.7
107.08580	15.7
109.06489	7.9
109.10135	5.3
111.04401	3.9
111.08060	21.4
113.05956	6.6
115.05445	2.2
117.07011	4.5
119.08555	31.0
121.06481	4.5
121.10098	14.9
123.08030	3.6
123.11701	2.7
125.09611	2.2
127.07467	2.0
129.06969	15.9
131.08553	18.8
133.06474	4.3
133.10089	15.1
135.11548	2.5
137.09543	2.7
142.07759	3.5
145.10063	5.1
147.08000	4.1
147.11642	24.2
149.09579	9.3
154.68658	1.8
157.10092	21.2
159.11632	5.9
165.12726	5.6
175.11150	26.2
193.12198	94.7
194.12509	2.9
211.11194	4.0
211.13240	79.1
212.13612	6.2
255.20717	1.7
267.15814	2.6
285.07541	3.6
285.16873	100.0
285.22064	5.0
285.25552	7.1
285.33328	7.1
286.17200	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	285.169
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03931	3.2
55.01847	4.0
55.05507	23.3
57.03424	54.0
59.04995	3.0
65.03935	2.3
67.05180	2.5
67.05490	36.2
69.03401	7.0
69.07062	11.6
70.67646	8.8
71.04964	7.7
79.05481	36.0
81.02929	4.4
81.03401	80.7
81.07040	46.0
83.04976	20.3
83.08606	30.1
85.02892	80.1
85.06501	3.8
91.05464	40.4
93.07021	26.0
95.04945	32.9
95.08603	13.7
96.65337	1.9
97.02853	4.0
97.06505	6.9
97.10146	3.3
105.07000	36.2
107.04926	5.4
107.08560	13.4
109.06477	7.3
109.10140	4.6
111.04465	2.9
111.08072	16.0
113.05978	7.6
118.42159	2.0
119.07835	3.0
119.08572	31.8
121.10111	17.7
123.08025	5.9
123.11675	3.0
129.06963	13.4
131.08537	17.4
133.06438	2.8
133.10120	16.3
140.47307	2.4
142.07738	4.5
145.09995	2.4
147.08018	3.1
147.11670	27.1
149.09653	10.1
157.10101	21.4
165.12711	7.5
175.11180	25.3
193.12209	96.7
194.12604	4.5
211.11217	3.7
211.13260	73.6
212.13638	2.1
258.06918	2.4
285.16898	100.0
285.29672	2.6
285.33197	2.8
286.17200	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	285.1691
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.72514	1.3
52.43476	1.4
53.03938	4.5
55.01860	3.5
55.05497	25.1
57.03153	2.7
57.03428	49.2
57.07048	4.2
60.69006	1.3
63.00050	1.7
67.05492	39.4
69.03407	6.5
69.07064	11.9
70.91444	5.1
71.04987	12.5
79.05481	34.6
81.03404	82.8
81.06600	3.1
81.07045	45.9
82.27529	1.7
83.04967	19.0
83.08604	32.6
84.08975	2.2
85.02892	76.7
85.06528	4.7
86.03224	2.0
91.05465	45.4
93.06490	2.4
93.07034	28.0
95.04952	35.1
95.08588	20.3
97.02876	4.1
97.06517	8.0
97.10153	4.6
99.08023	2.3
105.07015	30.8
107.04941	6.3
107.08562	11.3
109.06493	6.6
109.10140	6.0
111.04403	1.9
111.08065	18.8
113.05972	7.9
115.05440	2.9
117.06967	2.3
119.08570	31.3
121.06481	2.8
121.10124	13.1
123.08020	4.3
123.11687	5.8
125.09643	2.2
129.06978	13.5
131.08537	16.2
133.06468	4.4
133.10104	15.3
137.09525	2.3
142.07767	3.3
145.10095	3.9
147.08023	4.0
147.11659	23.4
149.09631	7.8
150.66245	1.6
157.10083	20.5
159.11673	2.6
163.11151	2.2
165.12711	3.8
175.11157	23.0
181.04930	2.1
193.12206	88.9
194.12509	4.1
211.13260	74.8
212.13599	5.0
222.96692	1.6
253.08630	3.7
267.15936	2.9
285.07462	5.1
285.16916	100.0
285.22195	9.1
285.29730	2.4
286.17261	4.8
286.31021	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	285.169
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.22621	1.3
52.56475	1.4
53.03926	2.0
55.01857	4.7
55.05507	19.5
57.03152	2.6
57.03428	43.6
57.22997	1.3
59.04968	2.4
60.97348	1.4
66.04121	1.6
67.05495	34.8
69.03400	4.8
69.07053	8.1
69.63772	15.3
71.01380	1.8
71.04981	8.6
79.05481	34.3
81.03406	81.5
81.06586	3.0
81.07043	42.1
83.04553	1.9
83.04975	19.5
83.08604	37.2
85.02892	75.8
85.06509	2.7
91.05460	39.0
92.05815	2.4
93.07029	26.1
93.63783	1.6
95.04951	40.7
95.08598	18.0
97.02879	3.4
97.06509	6.4
97.10142	2.9
104.85286	1.4
105.07014	30.3
107.04926	7.0
107.08556	10.3
109.06495	6.3
109.10144	4.2
111.04430	4.7
111.08062	20.7
113.05983	7.7
115.05448	2.2
119.08565	29.4
121.10115	13.5
123.08044	4.3
123.11654	5.7
129.06979	11.4
131.08554	16.8
133.06490	3.8
133.10098	14.5
137.09578	1.7
142.07726	2.5
145.10120	2.2
147.08055	3.9
147.11658	23.8
149.09570	7.5
157.10095	20.4
159.11633	1.4
165.12711	5.8
175.11168	24.9
189.19064	1.4
193.12215	98.2
194.12563	4.4
209.45320	1.6
210.27583	1.4
211.13266	79.8
212.13692	2.2
248.89346	1.6
267.15839	4.3
285.07779	2.0
285.16919	100.0
285.22076	3.3
285.33310	2.7
286.17267	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	285.169
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03922	4.2
55.01854	3.9
55.05265	1.7
55.05499	23.4
57.03429	46.9
57.07051	6.1
62.35221	1.5
62.99990	1.7
64.13422	2.1
65.03915	2.5
67.05496	33.2
69.03411	6.9
69.07069	9.8
71.04984	13.0
71.81718	2.8
79.05483	35.3
80.05846	1.5
81.03407	85.5
81.06587	3.1
81.07042	43.3
82.03736	2.1
83.04963	17.8
83.08607	34.0
85.02892	85.6
85.06501	3.1
87.04437	2.1
88.09478	1.7
91.05466	39.1
93.07037	22.6
94.48743	1.8
95.04954	46.8
95.08586	18.3
97.02863	2.9
97.06499	6.4
97.10135	3.3
97.85913	1.6
98.98423	1.9
99.08032	1.8
105.07015	34.2
107.04912	10.3
107.08578	10.5
109.06528	9.6
109.10114	7.3
109.10759	1.6
111.04409	6.4
111.08064	18.6
113.05966	6.2
115.05444	2.3
117.06975	3.8
119.08555	31.2
121.06396	2.1
121.10126	13.5
123.08041	3.5
123.11664	7.4
125.05927	2.1
125.09591	2.1
129.06984	15.4
131.08537	15.2
133.06499	2.6
133.10110	15.4
135.04393	50.5
135.05434	2.8
137.09569	2.6
142.07755	4.5
145.10121	4.2
147.07976	4.1
147.11647	22.6
149.09557	8.5
155.08542	2.5
157.10097	21.4
165.12708	5.8
169.10237	1.7
173.03610	2.1
175.11160	28.3
177.05452	1.9
183.11818	2.1
193.12216	100.0
194.12497	5.2
211.13252	82.1
212.13623	3.7
213.31563	1.5
229.09950	3.0
267.15848	5.8
285.07489	5.4
285.11179	11.6
285.16904	93.8
285.22220	12.2
285.29819	2.3
286.17221	5.3
286.31052	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.169
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03924	2.5
55.01861	2.6
55.05503	21.2
56.95552	1.0
57.03156	2.6
57.03428	48.4
57.07037	1.7
59.04976	2.5
67.05494	30.1
69.03403	4.8
69.07061	7.6
70.97716	4.8
71.04982	9.6
79.05484	32.5
81.03407	79.5
81.07043	39.1
83.04972	17.9
83.08603	32.2
85.02893	87.3
85.06521	3.4
86.03246	1.3
87.04445	1.6
87.98537	1.6
91.04904	2.6
91.05465	37.6
92.05798	1.4
93.07028	21.8
95.04384	2.5
95.04951	34.9
95.08586	15.5
97.02859	3.8
97.06497	5.1
97.10157	3.5
99.08058	1.2
105.03360	1.7
105.07014	28.5
107.04970	8.6
107.08562	8.9
109.06506	6.1
109.10118	4.3
111.04453	3.7
111.08069	19.1
113.05961	5.8
115.05415	3.0
117.06990	1.6
119.08571	23.4
121.06475	1.7
121.10137	15.3
123.08063	3.2
123.11693	4.1
125.09583	1.4
129.06996	10.2
131.08559	12.5
133.06488	4.9
133.10118	11.1
137.09561	2.7
142.07779	3.5
145.10121	2.3
147.08031	3.7
147.11665	23.0
149.09572	7.7
157.10095	16.1
161.05988	1.6
165.07045	1.7
165.12723	6.0
175.11165	23.3
189.00633	1.9
193.12215	96.0
194.12582	5.6
211.13261	83.6
212.13551	3.5
221.05933	1.5
225.09135	1.4
253.08566	5.2
259.82837	1.3
267.15897	2.5
285.04108	1.8
285.07455	2.5
285.16919	100.0
286.17303	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05479	2.0
57.07060	1.7
59.10435	0.7
59.67491	0.5
61.28715	0.6
63.00027	1.2
67.05486	2.0
69.07050	1.0
70.06561	1.1
74.02420	1.2
79.05491	3.7
81.03375	1.7
81.07043	8.5
83.04951	1.1
85.02872	0.6
91.05453	2.4
92.60669	0.7
93.07034	0.9
95.04929	1.5
95.08588	1.6
97.06492	0.9
98.98437	0.6
103.05438	0.9
105.03380	5.4
105.07027	3.2
105.31056	0.6
107.04958	0.7
107.08572	0.8
108.08084	0.7
109.10147	1.4
110.09670	0.7
110.61884	0.7
111.08012	0.7
117.05675	1.0
118.06511	2.1
119.08560	0.7
121.02814	0.7
123.11649	0.7
129.06946	2.0
130.06506	10.7
131.07327	0.6
132.08057	1.5
143.07260	2.3
143.08392	0.8
144.08055	11.5
146.05991	5.3
151.03851	1.2
151.07529	0.6
154.06473	2.6
155.07268	1.7
156.08096	3.4
158.06052	0.8
160.07561	1.1
164.07022	1.3
167.07274	8.2
168.08061	37.1
169.08772	2.5
170.09610	3.2
180.08049	42.3
181.08734	2.7
182.09639	5.0
183.10414	0.8
188.07025	5.2
191.03343	0.9
192.08105	1.0
193.08800	8.4
194.06078	1.1
194.09601	10.4
195.10486	1.4
196.11201	1.5
198.09097	0.8
198.12781	0.9
200.07053	1.0
206.09634	1.9
207.10384	3.0
208.07695	1.3
208.11192	25.5
208.13200	1.2
209.11823	1.4
210.12743	2.2
212.07103	2.9
212.14349	5.2
213.07881	3.5
213.52194	0.7
221.05998	1.0
221.08337	1.0
222.09177	1.4
222.12747	17.5
224.14343	1.7
225.09149	0.7
226.08595	1.9
226.12218	0.7
229.04794	0.9
229.64410	0.8
235.10484	1.3
237.08102	1.4
237.11232	3.7
238.08392	3.6
239.09276	2.0
250.12267	3.4
252.10587	1.0
253.08498	1.0
253.10779	5.4
257.04276	0.9
267.13034	0.8
268.13260	100.0
269.13620	2.0
285.03851	2.6
285.07318	1.2
285.11078	1.7
285.15839	9.2
285.18552	0.9
285.21454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0752
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.94549	0.1
57.03413	0.2
66.25484	0.1
67.01833	0.4
68.99764	0.2
70.66285	0.1
70.66630	0.4
71.06187	0.1
81.03404	0.2
81.07027	0.2
91.05457	0.4
93.07016	0.1
99.04427	0.1
101.07008	0.1
115.66118	0.1
119.04903	1.4
120.05685	0.3
121.02853	0.6
124.01542	1.6
134.88368	0.1
141.05408	0.1
145.02856	0.8
160.05165	0.3
167.03358	4.1
169.06502	0.2
185.04396	0.6
187.03871	0.5
196.05215	0.3
197.05984	0.9
213.05408	0.8
214.06245	0.4
224.04619	0.2
225.05392	0.5
241.05049	0.1
242.05693	18.2
243.06129	0.6
257.08118	0.2
261.50723	0.1
270.05173	7.5
271.05612	0.3
285.07510	100.0
286.07846	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0752
Annotation	Acacetin
Peak:m/z	Relative Intensity
50.72037	0.7
51.20092	0.6
55.02196	0.7
57.03412	1.0
57.07071	1.0
62.77597	0.6
63.00018	0.8
67.05496	1.3
69.03413	2.0
69.07033	0.8
70.06594	0.8
71.79050	0.8
78.27987	0.6
79.05464	0.8
81.03406	1.4
81.07045	2.3
83.08584	1.4
85.02870	1.6
87.04456	1.1
91.05448	1.4
93.07041	1.2
95.04940	0.9
95.08572	1.3
98.98484	0.9
105.07018	1.7
106.56066	0.6
109.10152	0.8
119.04859	0.7
119.08567	1.3
121.10178	0.9
127.37523	0.7
128.03416	3.2
147.11647	0.8
153.03378	1.4
157.10117	1.3
161.06024	0.7
167.03296	1.0
168.05589	1.0
181.05003	1.2
193.06500	0.9
196.05853	1.2
209.02293	34.5
210.02736	0.9
211.13228	0.9
214.07106	1.2
222.96974	1.0
224.04639	53.6
225.05028	1.5
228.04152	1.1
239.07019	8.2
242.05690	3.7
253.08450	1.9
256.03687	2.7
267.06473	68.5
268.06757	0.8
270.05066	1.2
277.36453	0.8
284.29370	1.9
285.07529	100.0
285.22104	1.0
285.29642	1.2
286.08182	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	284.2216
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
55.05499	0.7
56.05013	0.6
57.07066	9.9
60.58841	0.4
67.05494	2.6
68.51799	0.4
69.03410	4.8
69.07055	2.6
69.61185	3.3
70.06593	0.5
71.08234	0.6
71.08622	11.3
79.05472	1.2
81.07040	5.3
82.06572	2.8
83.08592	0.6
84.07671	0.7
84.08113	3.4
85.10162	6.2
86.06036	0.9
87.04451	6.4
90.29710	0.4
93.07060	0.4
94.06550	2.4
95.08591	6.1
98.06045	0.7
98.55802	0.4
107.08564	0.5
112.07584	52.2
113.07913	1.2
119.71257	0.4
130.08623	13.0
148.22784	0.4
150.09116	1.1
155.14282	1.4
198.18503	4.2
201.03831	0.4
228.74055	0.4
229.25668	0.4
266.21075	2.1
284.22153	100.0
285.22485	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	284.2217
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
55.05499	8.3
56.05012	0.6
56.96556	0.5
57.03405	0.6
57.07066	3.6
58.06545	0.4
63.00032	0.7
67.05489	2.7
68.04993	0.9
69.03414	4.3
69.07054	8.8
69.87896	3.0
70.06561	1.4
70.07343	0.4
71.08601	1.7
79.05470	1.4
81.07040	2.7
82.06565	0.7
83.04945	1.5
83.08596	3.4
84.04509	0.7
84.08132	2.0
85.02887	2.5
85.10186	0.6
86.06049	25.2
87.03941	0.6
87.04451	11.3
88.07531	0.5
91.05457	0.7
93.07025	1.1
94.06540	3.4
95.08572	2.4
96.08112	0.8
97.10135	3.4
98.06046	2.1
103.80610	0.4
105.06989	0.9
107.08562	0.7
109.10140	1.0
111.11691	0.5
112.07586	14.7
113.07925	0.6
119.08513	0.5
121.10115	0.6
124.07574	0.7
126.09129	0.7
133.10066	0.5
145.10020	0.7
170.18973	2.3
181.04987	0.7
181.15912	0.4
182.19014	4.5
198.18484	11.8
199.18813	0.9
206.19070	2.8
220.20604	2.9
238.21646	4.8
240.59589	0.4
256.22626	1.2
266.21103	5.8
276.96231	0.4
284.22141	100.0
285.07504	3.0
285.10724	0.7
285.22516	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1275
Annotation	Norcinnamolaurine
Peak:m/z	Relative Intensity
51.02393	0.6
54.07236	0.5
55.01847	1.1
56.70164	0.5
57.03415	0.7
57.07057	0.6
65.14492	0.6
67.05478	0.9
67.92181	0.5
69.03421	1.1
69.07043	0.9
70.06195	0.7
70.06574	8.4
71.79152	1.0
81.07027	0.8
81.23892	0.6
85.02873	1.3
86.09685	0.9
89.05975	0.6
91.05446	0.8
95.04942	1.4
97.02852	0.8
98.21302	0.7
103.05423	0.8
105.07029	4.1
107.04913	1.7
109.02869	1.1
111.04398	0.6
111.80794	0.5
112.07587	7.6
118.05735	0.9
118.06525	13.8
121.02852	1.3
121.06475	1.0
122.03209	1.2
122.06013	1.0
122.09628	1.0
127.03879	0.8
131.04883	0.7
133.06436	0.8
134.05997	0.8
135.04350	0.9
140.07030	2.7
146.05988	26.6
147.06795	3.1
147.07794	0.6
150.09076	0.8
151.07500	1.4
152.06126	1.8
153.06946	1.4
158.08061	1.1
161.05978	0.7
162.05460	2.2
163.03915	2.1
163.06216	1.2
165.07007	1.7
167.08546	7.6
175.28815	0.6
176.07040	5.0
177.06828	3.5
178.08661	18.4
179.08498	6.2
181.06421	2.3
182.07191	0.6
183.08089	1.2
189.06976	4.3
193.06673	0.6
195.08012	18.9
196.08420	1.3
205.06529	0.8
206.08051	0.8
207.08020	15.6
208.08298	0.9
209.05920	1.1
211.07527	1.6
217.06453	1.4
221.05942	2.2
223.07501	19.2
223.09625	1.3
224.08133	2.5
224.10718	1.5
225.09151	1.0
235.07486	19.3
236.07922	1.3
239.10654	1.5
239.14833	2.2
240.07848	0.8
241.08546	1.0
242.08868	0.7
248.12909	0.7
252.07718	2.5
253.08447	0.8
255.10130	10.3
258.02307	0.8
266.13812	2.8
267.07196	1.0
267.10114	6.6
269.07645	0.8
269.10370	1.1
284.12756	100.0
284.29422	7.2
285.07590	1.1
285.13092	6.4
296.58310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0986
Annotation	Isoguanosine
Peak:m/z	Relative Intensity
55.01859	0.3
57.03423	0.5
69.03417	0.3
70.06570	0.3
71.64198	0.4
73.02876	0.3
78.49516	0.2
85.02869	0.7
87.04458	0.4
90.59809	0.2
97.02878	0.2
103.68271	0.2
109.05115	0.5
110.03493	1.8
118.40736	0.2
127.03867	0.2
128.04565	1.0
128.05368	0.2
134.04601	0.2
135.02995	3.3
142.36549	0.2
152.05647	100.0
153.04044	6.9
153.06010	0.8
154.02486	0.2
162.13486	0.2
163.05978	0.2
284.09637	0.4
284.29483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53599	0.3
55.03286	0.3
56.07766	0.3
63.04330	0.3
69.07058	0.3
69.49744	3.8
70.06258	0.4
70.06576	3.6
86.09684	0.5
107.04935	0.4
109.02863	0.5
112.07581	2.1
121.02828	0.7
122.03168	0.5
136.07443	0.3
140.07045	1.2
150.05452	3.0
165.06917	0.5
178.07681	0.5
179.08482	1.1
189.06953	64.5
190.07312	2.9
206.09715	0.8
207.07994	0.8
217.06447	100.0
218.06804	5.4
226.06215	0.8
229.05035	0.7
234.06709	1.0
234.09071	0.4
241.08389	0.6
243.95390	0.3
249.09065	32.6
250.09467	1.5
253.08545	0.8
257.04443	0.5
266.11722	29.1
267.12030	1.4
269.07947	0.7
277.59250	0.3
284.06268	0.4
284.09985	1.4
284.12845	2.4
284.29498	1.3
285.03891	2.6
285.11148	0.6
289.32828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0913
Annotation	Evoxanthine
Peak:m/z	Relative Intensity
55.01850	0.3
55.05484	0.9
56.05803	0.2
57.03417	0.4
57.07043	0.3
65.03929	0.7
67.05495	1.8
68.54976	0.2
69.07053	1.9
70.06568	0.4
70.58123	0.4
70.58508	0.6
71.08598	0.4
76.03990	6.0
79.05473	0.9
81.07043	1.2
83.04958	0.5
83.08588	1.0
85.02898	0.3
88.67741	0.2
92.04944	0.4
93.07021	1.1
95.04939	1.0
95.08586	1.1
97.06483	0.3
97.10158	0.3
107.04939	5.4
107.08565	0.8
108.02076	0.8
109.02892	0.3
109.10114	0.8
111.04423	0.4
115.05390	0.2
119.14600	0.2
120.04456	1.5
121.02851	4.6
121.03755	0.4
121.10136	1.1
122.06036	0.3
123.04359	0.2
132.04439	0.7
133.05206	0.7
135.04388	0.3
135.11668	0.7
136.01546	0.5
137.05963	0.7
141.05446	1.5
149.13219	0.3
151.03885	27.0
151.04990	2.6
152.04210	0.6
162.05478	0.3
164.97580	0.2
169.06544	0.4
176.07074	0.3
181.06458	0.7
184.07585	0.3
185.08379	0.5
191.17894	0.7
196.07573	1.8
197.05975	2.0
206.05971	1.3
209.05989	0.5
209.18976	0.6
212.07014	6.5
213.07718	1.7
223.06213	1.1
224.07045	2.8
226.06212	0.3
228.13121	0.3
234.05519	1.5
238.08641	0.4
240.06491	1.8
241.07256	4.3
251.05733	2.2
252.06505	4.6
253.07034	1.5
256.09601	0.3
266.08124	0.8
267.12766	0.5
268.06018	0.8
269.06781	19.4
270.07187	0.6
284.09128	100.0
284.22058	1.6
284.29315	2.3
285.04135	0.2
285.09442	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	284.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96164	0.2
57.42876	0.2
70.22413	1.0
101.00848	1.1
117.02356	0.2
117.03197	0.2
119.01895	6.1
120.01961	0.4
137.02904	2.0
142.03450	0.2
153.00902	0.3
158.99796	0.3
177.00912	11.1
178.01059	1.1
182.99870	0.4
185.10974	0.2
193.04094	0.3
195.01894	0.4
200.02658	0.3
201.00897	0.7
217.04036	2.3
218.04034	0.3
219.01959	18.6
220.02063	2.2
221.01605	0.2
225.00827	1.8
226.00935	0.3
236.95200	0.2
237.98795	1.0
238.98289	0.9
242.03517	0.2
243.01901	4.7
244.02046	0.5
260.00131	0.3
260.04547	0.6
261.03000	100.0
262.03125	10.9
263.03482	0.4
283.99982	0.5
284.04602	5.1
284.29395	0.3
285.04724	0.7
302.01077	1.4
303.00842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2052
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03928	4.4
53.80635	1.5
54.72051	1.6
55.01851	4.4
55.05503	13.2
57.03419	5.6
57.07067	9.9
67.05495	23.5
69.03418	10.2
69.07066	17.6
70.06573	2.5
71.04656	2.1
71.04988	26.1
71.08607	8.9
74.78127	1.5
75.28446	1.7
79.05476	24.4
81.03392	4.3
81.06593	3.5
81.07047	50.8
83.01313	1.7
83.04980	8.6
83.08594	7.3
85.02884	2.0
85.10160	1.7
87.04453	4.1
89.06011	2.5
91.05466	27.5
91.10982	1.7
93.07029	40.5
95.04952	12.8
95.08591	25.6
97.06505	10.0
98.20695	3.5
100.55653	1.7
103.05463	2.9
105.07013	63.6
106.07316	1.8
107.04912	3.4
107.08575	36.6
109.06516	10.9
109.10146	21.5
111.04449	2.4
111.08044	3.0
112.07586	22.2
115.05458	2.5
117.06997	12.8
119.08565	41.5
121.06471	7.5
121.10129	100.0
122.10451	2.7
123.08051	9.4
123.11684	8.0
125.05869	2.0
125.09579	2.7
128.06184	6.0
129.06972	7.4
130.07719	6.9
130.08618	5.7
131.08545	30.6
133.07573	2.0
133.10110	39.4
135.08035	10.4
135.11679	13.1
137.09566	2.4
142.07739	6.5
143.08533	19.3
144.09280	3.2
145.10101	52.7
146.07312	2.6
146.10498	2.4
147.08000	4.0
147.11682	8.6
149.09564	2.3
149.13269	2.5
155.08536	3.7
155.14287	2.7
156.09279	2.4
157.10110	18.2
158.10883	10.8
159.08055	1.9
159.11674	13.9
161.09608	28.4
161.13275	4.9
162.09854	1.8
163.11180	10.1
167.08582	2.7
169.10097	6.8
170.10875	2.8
171.07973	1.7
171.11690	11.4
173.13231	62.1
175.11165	4.2
175.14777	5.7
179.08557	4.6
181.10074	5.2
183.11662	5.8
185.13165	7.7
187.14786	12.1
189.12599	3.7
191.14238	1.7
193.10059	2.7
194.10840	2.8
195.11617	6.8
197.13208	4.2
198.18480	3.2
199.14798	7.3
201.12770	2.3
201.16382	3.3
208.12514	2.6
209.13272	10.6
213.12802	2.4
213.16388	2.6
215.14236	2.7
223.14780	6.3
223.16844	3.4
225.16145	2.4
227.14296	4.7
235.14926	2.4
239.17877	2.4
255.21062	4.1
265.17493	5.8
265.19516	10.9
266.12607	2.3
283.06033	2.3
283.15329	7.1
283.20490	76.0
283.28326	1.8
284.22278	40.7
284.29413	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03919	4.7
55.01863	24.1
55.05501	42.9
57.03158	2.4
57.03428	44.2
57.07057	5.3
59.04987	7.5
65.03931	1.3
67.05492	26.2
69.03416	2.5
69.07046	8.3
69.58014	9.6
71.01337	2.4
71.04971	12.9
71.08600	1.6
74.09657	1.1
79.05481	37.0
81.03400	22.2
81.07043	38.4
83.01331	27.3
83.04491	1.8
83.04968	24.1
83.08601	29.9
85.02904	6.1
85.06509	1.7
87.04468	1.1
89.05995	4.7
90.58680	1.0
91.05463	25.7
93.07027	51.9
95.04950	13.7
95.08591	17.0
97.02869	4.1
97.06512	8.2
97.10128	4.0
99.04433	5.6
103.05448	2.0
105.07012	20.1
107.04945	17.8
107.08568	26.4
109.06503	15.3
109.10109	3.2
111.04427	5.5
111.08073	6.0
113.05933	1.3
113.09615	1.9
114.76451	1.3
115.05432	1.2
117.06993	16.5
119.08566	17.0
121.06503	5.9
121.10122	17.2
123.04427	1.8
123.08050	19.5
123.08891	2.1
125.05962	5.3
125.09612	2.9
129.06979	3.8
130.07695	1.5
131.08530	8.5
133.08565	2.6
133.10078	3.4
135.08018	4.9
135.11676	26.7
137.09572	3.5
139.07512	3.1
143.08572	2.1
145.06389	1.5
145.10100	35.5
146.10481	1.6
147.08002	3.2
149.09546	1.8
153.12711	8.0
155.08504	4.1
161.09589	1.5
163.11160	59.5
164.11502	2.2
165.09088	1.1
172.51900	1.0
173.09618	9.3
181.12181	11.2
191.10658	6.9
193.61241	1.1
195.03793	1.1
209.11668	22.9
209.13481	1.6
227.12712	13.0
283.15350	100.0
283.20447	4.2
284.15488	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	283.2051
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
52.73750	1.8
54.20641	1.9
55.01866	3.4
55.05503	12.5
57.07060	3.1
57.80025	2.3
65.03915	3.9
67.05497	24.3
69.03407	8.0
69.07074	10.3
69.07359	1.9
71.04972	23.9
78.39388	2.2
79.05476	22.5
81.07039	42.9
81.93373	1.8
83.04948	4.5
83.08603	7.7
91.05461	27.6
93.07030	45.1
95.04948	17.2
95.08595	29.5
97.06483	6.4
103.05439	3.0
105.07010	63.2
106.45759	2.1
107.07890	3.0
107.08576	38.1
109.06497	12.1
109.10121	25.5
111.08079	4.3
115.05452	3.4
117.06995	12.8
119.08558	46.7
120.08899	2.4
121.06463	10.0
121.10126	82.9
123.08026	9.6
123.11700	6.7
128.06187	6.8
129.06964	7.8
130.07802	9.6
131.07631	3.2
131.08549	40.9
133.10110	41.4
135.08035	9.5
135.11652	10.2
137.09595	3.3
139.11128	2.9
142.07751	6.3
143.08534	24.1
144.09285	5.8
145.06491	2.8
145.10104	57.3
146.07230	3.7
147.08018	3.8
147.11690	13.7
149.13232	2.3
155.08563	4.9
156.09282	7.0
157.10107	23.0
158.10834	6.1
159.08038	4.3
159.11658	17.5
161.09592	32.9
161.13232	7.3
163.11166	8.9
165.06969	4.2
167.08525	3.3
168.09265	2.9
169.10062	7.1
170.10796	1.9
171.11674	17.8
173.09601	4.1
173.13232	69.9
174.13628	2.8
175.11171	6.5
175.14789	5.5
179.08533	6.1
180.09251	2.1
181.10094	5.7
183.11624	9.4
185.09555	3.3
185.13194	9.9
187.14778	8.9
189.12698	3.5
191.14310	3.3
194.10901	3.1
195.11699	10.8
196.12415	3.2
197.13190	5.3
199.11212	3.7
199.14774	7.4
201.16309	2.5
208.12326	3.2
209.13240	15.6
211.14793	3.7
213.12703	5.1
213.16295	3.1
223.14766	9.5
225.16302	7.2
227.14388	10.8
229.36751	2.4
229.39037	2.4
235.14758	2.3
239.17873	2.8
250.17104	2.5
255.20969	8.3
265.19574	24.0
283.15552	3.1
283.20517	100.0
284.20792	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.86791	0.8
53.03933	4.4
55.01860	24.4
55.05499	44.6
57.03425	36.2
57.07051	3.3
59.04985	5.7
60.99438	0.9
64.37229	0.9
67.05489	29.1
69.03413	2.5
69.07056	8.1
71.01332	2.6
71.04971	8.3
71.08607	1.4
71.81134	0.9
78.53941	0.9
79.05477	37.1
81.03400	23.1
81.07040	36.7
81.07430	0.6
81.07524	1.3
83.01324	21.5
83.04962	27.6
83.08602	26.6
83.94093	0.9
85.02884	5.8
85.06521	2.7
88.67601	0.9
89.06012	2.2
91.04900	1.7
91.05457	24.4
93.07027	47.6
95.04949	16.5
95.08589	19.0
97.02856	5.4
97.06504	11.1
97.10123	3.1
99.04409	5.6
103.05422	1.2
105.07020	16.7
107.04929	17.5
107.08575	27.4
109.06496	15.2
109.10139	4.0
110.26680	0.9
111.04417	7.2
111.08050	4.2
115.86588	1.0
117.06992	13.8
119.08556	17.2
121.06484	7.9
121.10117	15.9
123.08041	14.0
123.11684	1.4
125.05936	4.4
125.09606	3.3
129.05447	1.1
129.06975	2.1
130.07755	2.9
131.04875	1.5
131.08559	6.0
133.08562	1.6
133.10095	3.7
135.08031	3.7
135.11665	25.7
137.09584	2.7
139.07484	1.9
143.08519	2.5
145.06396	1.7
145.10100	32.5
147.08028	5.5
149.05986	1.0
149.09557	2.1
153.12697	8.5
155.08513	2.4
157.10124	1.2
163.11154	57.4
164.11491	1.3
173.09598	9.1
181.12181	12.3
191.10648	7.2
209.09859	1.8
209.11694	21.1
227.12753	11.3
269.29016	1.1
279.02328	1.0
283.15356	100.0
283.20526	3.9
284.15619	2.8
284.29434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03931	3.5
54.08652	1.4
55.01630	1.5
55.01866	19.2
55.05502	36.8
56.17963	1.1
57.03148	2.0
57.03429	38.2
57.07060	4.0
59.04985	7.7
62.34729	1.1
65.03942	1.5
67.05493	24.7
69.07047	9.2
70.38277	2.5
70.38667	2.7
71.01348	1.2
71.04990	6.8
74.10203	1.0
78.14827	1.2
79.05476	36.2
80.03039	1.2
81.03405	20.9
81.06587	2.3
81.07040	30.1
83.01324	24.6
83.04498	2.0
83.04969	28.1
83.08604	25.2
85.02871	6.9
85.06512	2.3
89.06008	1.2
91.05463	22.5
93.07027	48.3
95.04956	14.0
95.08598	15.8
95.29010	1.0
97.02861	3.7
97.06512	8.6
97.10165	3.4
99.04441	3.4
99.08080	2.1
103.05427	1.7
105.07009	18.2
107.04935	15.5
107.08575	24.0
107.09295	1.5
109.02792	1.4
109.06507	12.6
109.10138	4.4
111.04416	7.4
111.08065	3.6
117.06993	12.5
119.08558	14.5
121.06508	6.1
121.10130	19.5
123.08043	14.0
125.05968	4.0
125.09611	3.2
129.06976	2.6
130.07759	2.8
131.08557	5.3
133.10110	4.2
135.08023	4.9
135.11671	27.9
137.09558	2.2
139.07527	1.6
143.08556	1.9
145.10100	30.7
147.08002	3.7
149.09567	1.4
151.11092	1.2
153.12689	9.7
155.08504	2.5
163.11156	54.3
164.11499	1.3
165.06947	3.2
165.09058	1.3
166.07796	1.2
173.09612	7.5
178.44722	1.2
179.08568	1.9
181.06488	4.0
181.12228	12.0
191.10645	8.6
193.06412	2.8
194.07214	2.2
195.08003	1.6
208.08803	8.1
209.05923	8.5
209.09756	1.6
209.11688	17.4
224.08287	14.3
227.12749	12.6
239.10683	8.0
265.08609	8.6
268.07379	1.2
283.06027	3.6
283.09076	2.2
283.10178	2.7
283.15366	100.0
284.15601	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.01862	22.9
55.05228	2.2
55.05500	44.2
57.03428	36.6
57.07048	2.5
59.04975	6.7
61.41103	1.4
67.05491	23.0
69.03410	2.7
69.07064	8.7
69.53474	10.5
69.53883	3.1
71.05004	7.2
71.08603	2.2
79.05011	2.2
79.05474	40.1
81.03403	21.8
81.07043	37.1
83.01321	26.9
83.04966	23.9
83.08604	26.0
85.02887	6.9
85.06512	4.1
89.05996	3.3
91.05460	28.7
93.07028	46.6
95.04957	12.8
95.08589	16.7
97.02866	4.8
97.06511	10.2
97.10099	2.5
99.04423	5.9
103.05461	2.3
105.07017	18.6
107.04935	14.7
107.08575	24.7
109.06506	14.9
109.10137	4.9
111.04404	5.3
111.08086	3.8
117.06985	12.8
119.08570	13.4
121.06474	6.7
121.10134	13.0
123.08050	18.0
125.05984	5.4
125.09624	2.9
129.06955	3.3
130.07664	1.9
131.08530	6.2
133.10107	2.8
135.08055	3.9
135.11671	27.9
137.09590	3.2
143.08533	2.0
145.06450	3.1
145.10091	28.6
147.08040	3.7
149.09644	2.7
151.11246	1.4
153.12721	7.7
155.08459	2.5
163.11151	58.1
173.09567	9.0
181.06606	1.8
181.12234	11.2
191.10625	7.5
209.11688	18.1
224.08389	1.9
227.12709	10.4
239.10664	1.7
283.15353	100.0
284.15729	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	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.83740	1.6
53.03921	3.2
55.01862	28.6
55.05500	44.9
57.03425	39.9
57.07048	6.1
59.04987	7.8
63.26743	1.7
65.03912	1.8
67.05192	2.2
67.05493	25.6
69.03388	3.1
69.07048	11.2
70.84374	5.6
71.04956	6.7
79.05482	39.2
81.03406	26.0
81.07037	37.9
83.01324	26.3
83.04965	29.2
83.08161	2.1
83.08605	28.7
85.02863	6.9
85.06528	2.7
89.06021	2.3
91.05459	27.2
93.07025	51.0
95.04957	14.2
95.08594	17.1
97.02830	4.5
97.06510	9.0
97.10123	4.4
99.04406	7.5
103.05439	2.9
105.06409	2.1
105.07002	23.4
106.22884	1.7
107.04913	17.3
107.08572	29.4
109.06494	16.0
109.10083	4.8
111.04388	7.4
111.08038	6.9
117.07005	15.5
119.08571	20.5
121.06432	6.3
121.10133	21.9
123.08065	18.8
125.05941	3.7
125.09584	4.6
129.06955	4.1
130.07713	4.4
131.08569	10.4
133.10059	6.7
135.08005	4.8
135.10747	2.8
135.11667	33.0
137.09554	3.2
139.07474	1.7
141.10269	1.6
143.08534	3.3
145.06403	2.6
145.10094	40.0
147.08000	5.0
147.11591	4.7
149.09547	3.1
153.12700	10.6
155.08458	3.2
163.11157	65.6
165.09087	1.9
169.10075	1.6
173.09558	9.3
177.30989	1.6
181.12172	13.8
191.10573	6.5
209.11681	21.9
227.12679	16.4
283.15262	100.0
284.15524	4.5
300.38876	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1534
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
52.80666	1.6
53.03927	4.6
55.01862	22.3
55.05503	36.7
57.03154	2.4
57.03427	43.0
57.07057	5.3
59.05001	8.2
65.03916	1.9
67.05489	23.1
69.03387	2.3
69.07059	8.1
70.38684	6.6
71.01318	2.2
71.04969	6.7
79.05483	38.8
81.03407	21.7
81.07045	31.3
83.01328	25.1
83.04964	26.2
83.08603	26.5
85.02876	5.3
85.06528	3.2
91.05453	24.6
93.07026	46.4
95.04954	12.2
95.08582	15.1
97.02871	3.3
97.06516	6.5
97.10141	3.3
98.56721	1.4
99.04440	5.7
103.05431	2.1
105.07006	15.0
107.04936	16.8
107.08575	25.4
108.31451	1.4
109.06505	17.1
109.10118	3.8
111.04420	5.7
111.08066	4.1
117.07005	13.4
119.04984	2.4
119.08559	15.2
121.06499	7.6
121.10122	19.1
123.08045	15.7
125.05956	3.6
129.06978	2.6
130.07663	2.4
131.08540	6.0
133.10025	3.4
134.51968	1.6
135.11682	26.4
137.09579	3.2
139.07492	2.0
145.06483	1.9
145.10100	31.4
147.08000	2.5
153.12732	9.2
155.08504	3.8
163.11169	58.7
173.09526	8.4
173.69841	1.6
178.78436	1.5
181.12212	12.5
191.10614	7.4
209.11714	21.5
209.16190	1.5
227.12709	11.7
283.15359	100.0
284.15778	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	283.096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54795	0.6
53.03910	1.0
55.01831	2.6
55.05499	5.8
57.03419	4.0
57.07030	1.7
65.03920	0.6
67.05489	4.8
68.99706	0.6
69.03391	1.3
69.07065	2.9
71.04982	0.9
71.07143	2.1
73.15788	0.7
77.03844	0.6
77.68697	0.6
79.05483	4.8
80.75517	0.6
81.03384	2.3
81.07035	5.1
83.01307	1.5
83.04973	4.7
83.08591	3.9
84.08109	0.7
85.02867	1.6
85.06516	1.1
89.05998	0.9
91.05467	3.3
93.07024	5.9
95.04955	3.1
95.08609	4.1
97.02837	1.4
97.06484	1.4
97.10110	1.0
99.04459	0.8
105.03372	3.8
105.06976	2.4
105.89887	0.7
107.04916	1.9
107.08588	3.6
109.06480	2.1
109.10105	2.3
111.04398	1.7
111.08055	1.0
111.11713	0.7
117.06931	1.4
119.08540	2.0
121.02849	9.8
121.06436	1.0
121.10086	2.8
123.08008	1.4
123.11648	0.7
125.09586	0.7
128.59421	0.6
129.06958	0.9
131.08568	1.3
133.10080	1.3
135.11682	3.6
139.03876	1.0
143.08534	0.8
145.10078	4.9
147.08075	0.8
152.06203	2.1
153.06950	6.0
153.12675	2.2
155.08549	0.7
163.03954	0.6
163.11156	6.7
165.06966	19.0
165.09050	0.8
166.07736	15.8
167.08461	1.9
168.05673	0.7
173.09557	1.6
176.06154	1.5
177.06958	5.0
177.08762	2.3
178.07738	5.7
179.04753	0.8
179.08519	6.3
180.05630	1.4
181.06445	30.1
181.09959	1.3
181.12143	1.2
191.08516	1.1
191.10489	1.2
192.05638	2.7
192.08809	0.7
193.06462	18.3
194.07230	19.9
195.07953	5.1
196.08730	2.1
199.07761	0.6
205.06470	5.6
206.07188	3.7
207.04396	2.0
207.07977	1.7
208.08792	64.1
209.05940	65.0
209.09447	6.6
209.11664	2.7
210.06230	1.9
219.07590	0.7
220.08376	1.4
221.05951	7.3
222.06697	7.1
223.07512	5.5
224.08276	100.0
225.05478	4.1
225.08601	3.9
226.06152	0.7
227.12711	3.1
235.03841	1.7
235.10701	1.8
236.07869	3.2
237.05350	2.4
237.09070	2.1
238.09842	0.9
239.10626	70.0
240.10928	3.1
249.05360	3.5
250.06203	4.1
250.09799	0.8
251.07068	2.9
251.10223	3.7
252.07782	4.2
252.10614	1.0
253.04922	4.4
254.05701	1.7
265.08554	86.8
266.08923	4.1
266.12521	9.1
268.07214	7.6
283.05984	7.0
283.09589	9.1
283.15350	13.7
283.20193	1.0
284.09042	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	1.0
55.02053	0.6
55.05404	3.1
55.05689	0.8
56.04932	1.3
57.03324	1.5
57.06967	13.6
57.07284	3.7
67.05380	9.2
67.05776	1.5
68.04945	0.6
69.06950	3.4
70.06509	0.9
70.12917	1.5
70.13336	0.7
71.04905	0.7
71.08508	17.9
71.08945	2.7
79.05370	3.2
81.03308	0.9
81.06924	14.2
81.07453	1.6
82.06457	1.9
83.01223	1.0
83.04849	1.5
83.08489	2.2
84.08012	15.2
84.08555	1.4
85.02781	1.3
85.06442	0.7
85.10053	12.1
85.10602	1.3
90.73672	0.4
91.05347	6.5
93.06908	12.5
94.06432	1.6
95.04836	2.1
95.08472	13.4
95.09126	1.0
97.10046	0.5
98.21397	0.6
99.04372	0.7
105.03276	0.5
105.04410	0.6
105.06891	2.9
107.04860	0.9
107.08543	2.4
108.07980	1.4
109.06376	2.8
109.10049	0.9
109.40126	0.4
110.09663	33.4
110.10379	1.9
111.08064	2.9
117.06890	1.6
119.08466	0.8
120.07979	0.6
121.06491	11.3
121.10013	1.4
123.07956	1.1
128.10715	3.0
131.08537	2.2
133.10031	0.6
134.09564	1.1
135.11562	1.6
137.13109	2.0
138.09117	4.3
145.10052	2.1
155.13190	0.5
155.14259	6.5
163.11166	3.3
163.97575	0.7
172.16969	2.5
173.13127	0.5
191.08473	1.1
209.11586	1.4
219.07962	1.0
222.55792	0.6
227.12634	0.9
234.10338	1.1
235.07442	0.8
235.20471	2.5
236.23700	1.0
237.22186	0.7
246.22162	0.8
247.20552	6.2
250.09869	1.5
251.10558	0.7
254.05219	0.8
258.97748	0.6
264.23181	84.9
265.12173	4.2
265.23532	2.8
282.04831	3.7
282.07678	0.9
282.24255	100.0
282.67334	0.6
283.15454	4.4
283.24564	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	282.206
Annotation	scalusamide A
Peak:m/z	Relative Intensity
55.01872	3.6
55.05510	2.9
56.05033	3.9
57.03430	3.3
57.07064	8.0
60.74246	0.5
63.46266	0.4
65.03926	0.6
67.04234	0.5
67.05495	5.5
68.05019	6.0
68.05792	0.5
69.07060	7.5
69.82672	3.9
70.02931	3.3
70.06579	0.9
71.08622	9.1
72.04489	0.7
79.05476	3.3
80.04997	2.8
81.07037	6.8
82.06567	26.3
83.04986	1.3
83.08604	2.8
83.87470	0.5
84.04513	0.9
85.02892	19.8
85.10162	4.3
86.06055	1.3
91.00827	0.5
91.05466	1.1
93.07035	3.0
94.06571	1.0
95.04943	0.9
95.08581	6.2
96.04494	1.3
96.08128	1.0
97.06498	1.0
97.60355	0.6
98.21364	0.7
106.06547	2.9
107.08579	1.3
108.08107	0.8
109.05288	0.7
109.10154	0.8
110.06026	25.2
112.07613	1.2
114.09161	0.6
118.06514	1.2
119.08565	0.9
120.08096	2.2
121.06493	0.6
121.10091	0.9
124.07581	0.9
128.07053	9.5
133.10168	0.5
134.06006	0.5
134.09633	1.5
135.11646	0.9
138.05467	1.8
153.12721	2.7
155.14285	1.4
163.97749	0.8
166.08492	0.6
180.17436	1.1
186.99277	1.2
191.08531	0.8
196.16959	1.0
197.15236	0.6
198.18501	100.0
199.18861	4.3
205.00383	0.6
208.16968	0.5
208.20496	0.8
218.18970	2.7
219.08018	1.1
234.10269	0.7
236.20053	24.3
237.20453	1.5
246.18446	1.8
250.09821	1.7
251.10689	1.2
264.19559	17.8
265.12225	4.4
265.19882	0.7
282.20560	97.8
282.27454	1.9
283.15430	1.0
283.20813	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	282.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40643	1.1
53.03945	1.1
55.01854	3.0
55.05505	2.1
57.03434	2.3
61.02912	1.9
67.05492	1.4
68.99789	1.3
69.03418	2.1
69.07058	10.3
71.54089	2.6
72.13544	1.0
73.02909	1.5
79.05495	7.1
81.03400	1.5
81.07066	2.2
85.02905	1.1
87.04447	1.2
91.05444	7.0
93.07003	1.7
95.04975	1.3
97.02879	14.3
97.06516	40.7
97.07143	2.1
106.06512	1.2
107.04920	1.9
119.04913	6.5
121.02850	10.9
121.06521	1.7
123.04448	2.4
124.92750	1.2
127.03925	2.2
129.09106	2.9
134.09633	2.5
135.04445	1.8
137.02364	1.8
137.05956	42.0
141.01820	7.2
147.04390	4.7
148.05165	3.2
149.06007	1.6
164.07068	4.2
165.01814	26.3
177.09099	14.1
183.02875	21.8
189.09119	8.4
189.36603	1.1
203.10614	1.3
206.11749	10.5
207.08118	1.4
215.10583	5.4
218.07394	1.4
219.07947	2.6
221.05991	1.3
233.11674	26.9
234.10262	5.3
234.99174	1.2
235.07527	5.0
235.13199	1.3
238.17992	9.9
238.87436	1.0
242.71466	1.1
245.04448	1.4
247.13286	14.7
250.01743	1.6
250.09949	7.5
250.14391	1.5
254.08174	1.8
264.15894	34.5
265.12192	14.6
265.14471	3.8
282.08502	5.1
282.11258	1.6
282.14496	1.4
282.20721	7.9
282.22711	1.5
283.05975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01852	3.0
55.05502	2.6
57.03407	5.1
59.23936	1.7
61.02905	4.5
69.03423	3.1
69.07056	35.7
70.12811	3.6
70.13219	5.4
71.04971	2.9
76.57838	1.5
79.05476	16.6
81.03409	3.2
81.07040	4.4
84.61990	1.5
91.05466	17.4
95.04940	2.9
97.02881	2.1
97.06513	66.5
99.04419	1.9
107.04914	3.3
109.02867	2.1
109.06492	1.7
116.67897	1.6
119.04909	14.4
120.04427	4.7
121.02847	18.2
121.06442	2.1
129.09091	13.1
133.06422	3.4
134.09593	3.6
135.04367	3.8
137.05952	100.0
139.03848	2.6
147.04372	5.7
148.05156	3.2
149.09523	1.8
155.54646	1.9
164.07074	3.6
165.06969	4.2
167.08720	1.7
171.04356	6.3
177.09088	10.0
179.08516	6.0
181.06360	2.0
189.07353	2.1
189.09026	13.3
190.07671	2.4
191.08521	7.1
193.06497	4.0
193.12222	1.5
195.07872	1.6
197.05930	3.3
199.03896	7.8
199.07445	2.4
203.08438	4.7
205.06436	2.4
205.10045	2.7
206.11671	11.8
207.08023	9.6
208.07495	8.8
212.04582	2.5
215.10657	6.0
217.06491	3.0
218.07213	4.8
219.07976	9.9
221.05945	5.1
221.09549	3.9
222.06572	2.1
222.10350	1.8
223.03877	2.0
223.07555	2.5
225.09032	3.9
227.07027	2.6
233.09608	4.6
233.11679	61.4
234.10324	27.2
234.12456	1.9
235.07504	31.5
236.08167	4.6
236.10411	2.3
239.06909	4.0
240.07759	6.2
243.28221	1.7
247.13286	10.6
249.11375	1.9
250.09875	41.7
250.12276	2.7
250.14204	3.9
251.10289	2.0
251.12965	2.9
253.08667	2.0
254.08060	15.6
255.06430	6.2
264.15936	42.9
265.12152	89.3
265.14432	29.7
266.12180	3.3
267.06497	4.4
268.07315	4.4
280.13083	2.4
282.07864	21.4
282.11417	4.6
282.14627	11.7
282.22092	4.4
283.05923	27.5
283.09509	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	282.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86103	1.2
55.01861	2.4
57.03418	3.4
61.02920	9.1
67.05489	1.2
68.35802	1.1
69.03413	18.4
70.26337	5.6
71.04967	2.0
73.02898	4.7
81.03399	6.4
85.02892	100.0
85.06532	22.9
87.04429	2.1
91.03930	9.3
95.04887	1.0
97.02879	18.1
98.21329	1.5
99.04432	5.8
103.07503	1.3
109.02850	8.0
115.03910	2.9
120.24654	1.2
127.03897	28.9
145.04933	65.6
148.72604	1.1
163.06006	24.9
180.08600	1.6
199.53552	1.1
206.11734	3.7
211.09669	1.1
229.10698	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	282.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79835	0.4
56.17373	0.4
57.07056	1.1
66.45533	0.4
67.05481	0.5
69.03416	0.7
69.07066	0.6
70.06563	1.1
71.04985	0.4
71.29478	0.4
71.29798	0.7
73.02908	0.5
81.03396	0.8
81.07044	1.0
84.08120	3.6
84.73073	0.3
85.02884	1.6
85.06532	1.2
86.09685	0.6
88.03973	0.6
91.05475	0.5
97.02824	0.5
103.07569	2.0
105.07039	0.4
109.02873	0.4
111.04373	0.5
120.08052	0.6
121.02831	3.7
121.08381	0.5
127.03852	0.7
128.06192	0.5
134.09637	1.0
136.06174	1.6
137.06555	0.7
139.03891	0.7
139.32573	0.5
142.64671	0.4
143.08539	1.0
150.05467	0.6
150.07730	11.5
152.06946	0.4
159.07993	1.0
160.05167	0.6
160.11205	0.6
161.05943	1.7
162.05473	0.7
163.04388	0.6
164.07016	2.5
171.08008	1.4
176.07077	0.8
177.07825	17.7
177.08949	0.7
188.10667	1.9
189.09097	1.2
204.10063	0.8
206.11736	100.0
207.12080	2.3
226.51068	0.4
264.15973	3.0
282.11905	1.7
282.17044	4.7
282.21960	3.4
282.27942	0.6
285.00992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1483
Annotation	N-Methylasimilobine
Peak:m/z	Relative Intensity
50.13430	0.4
52.08418	0.4
52.58034	0.4
53.75704	0.4
69.76604	3.1
69.76910	0.4
81.63906	0.4
106.31669	0.4
140.46828	0.5
144.29030	0.4
165.06964	2.7
176.06232	0.5
177.06982	1.7
178.07657	0.8
179.08539	3.9
180.09326	2.2
189.06969	2.3
190.07745	10.7
191.08527	100.0
192.08896	3.2
193.06451	0.8
194.07135	0.7
201.06943	0.7
202.07831	0.4
204.08035	16.2
205.06488	6.6
205.08304	0.8
205.10078	2.6
207.07994	3.5
208.08775	6.6
209.09502	0.5
218.07245	1.9
219.08015	75.1
220.08746	11.2
223.11166	0.5
225.09109	0.7
232.07559	6.5
233.05931	4.6
233.09647	1.1
235.07527	0.7
236.08293	17.0
237.08838	1.3
239.10626	0.7
249.07657	0.8
251.10638	80.2
252.10896	3.0
264.10071	1.1
265.08536	1.6
282.14838	77.6
283.15189	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	282.1121
Annotation	Cissaglaberrimine
Peak:m/z	Relative Intensity
51.75851	0.8
55.05502	1.6
57.07043	2.0
57.35382	0.9
67.05484	1.5
70.06563	1.2
71.81135	1.4
79.05442	1.4
81.07067	1.1
88.09122	0.8
91.05455	2.7
95.08614	1.0
103.05451	1.3
105.03387	6.5
105.07020	6.0
106.07327	1.0
111.96122	1.1
118.23724	0.9
120.08095	5.9
120.08812	1.2
120.97481	0.8
121.00751	0.9
121.02850	1.5
134.09631	3.4
152.06117	1.2
153.06966	1.7
163.00050	0.8
163.97701	2.5
165.06909	8.0
166.07742	5.2
177.07040	2.9
178.07730	4.2
178.15756	1.1
179.08542	3.9
181.06448	12.6
181.98747	1.5
186.99306	1.0
191.08514	4.2
192.05707	2.2
193.06435	8.9
194.07275	11.6
195.08070	1.2
204.08084	1.2
206.07179	1.3
207.08046	2.8
208.08813	59.8
209.05948	51.6
209.09381	3.2
219.08043	5.1
221.05914	1.9
222.06775	2.1
222.55725	3.3
223.05820	1.1
224.08293	92.2
225.05443	1.5
225.08734	2.7
226.06467	0.9
234.10313	5.7
235.07495	3.7
236.08278	1.8
237.05470	1.2
237.09019	1.2
239.10641	56.9
240.10925	1.2
250.09924	6.9
251.10652	4.0
254.05713	2.1
258.97827	1.5
265.08588	42.3
265.12164	17.4
266.08945	1.2
267.08990	1.1
282.07755	6.9
282.11224	100.0
282.22116	15.4
282.27701	1.3
283.15518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60707	0.9
55.05498	0.9
58.29061	0.8
70.06967	5.5
81.03433	1.2
85.02917	1.3
97.02888	2.3
101.60889	0.9
120.08089	8.8
121.02843	7.0
139.03873	1.0
140.51712	0.9
165.06987	6.4
166.08693	1.2
176.06120	1.3
177.06953	7.5
179.08542	3.5
191.08481	0.9
193.06473	22.3
194.07213	1.9
203.07257	0.9
204.08049	100.0
205.06454	40.3
205.08195	2.4
206.06947	1.0
207.08075	2.8
208.07547	1.0
218.07343	1.1
219.07961	3.0
222.06758	1.5
225.09048	25.0
232.07527	48.9
233.05934	39.8
233.07823	1.9
234.06250	1.0
234.10417	4.6
235.07567	6.3
236.12933	2.0
237.09122	3.7
238.17842	1.0
247.63939	1.1
248.07089	1.6
249.07602	4.3
250.06227	2.6
250.09908	8.1
254.08170	1.6
264.10156	7.8
265.08615	10.2
265.12238	15.4
282.08078	2.4
282.11197	24.6
282.14658	2.4
283.06168	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.9
55.56620	0.5
57.06791	1.1
57.07066	19.5
65.03930	1.3
65.90702	0.6
67.05479	2.5
69.07063	9.2
71.08614	5.5
79.05462	1.7
80.72915	0.5
81.07042	3.6
83.04953	0.9
83.08212	0.6
83.08612	6.2
85.02901	0.6
85.10170	3.3
88.16557	0.5
91.05446	0.7
93.07044	1.1
95.08596	3.4
97.10155	4.2
107.08556	1.0
109.10137	0.7
111.04440	0.9
111.11686	3.7
121.02855	2.6
125.13218	1.5
149.02319	100.0
150.02644	4.1
155.14279	1.3
166.25826	0.6
167.03372	3.2
190.05014	2.1
201.04601	0.7
205.08604	1.2
219.05656	8.2
251.23631	1.1
261.22049	0.6
279.09326	10.0
279.23199	4.1
280.09692	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03941	0.5
53.98526	0.2
54.58689	0.3
57.07072	1.5
58.07398	0.3
67.05474	0.2
71.52216	0.5
72.08167	0.2
79.05479	6.8
81.07056	0.3
95.04958	1.0
101.10764	0.3
103.05448	5.3
105.07013	100.0
106.07353	2.7
118.06507	1.2
132.08037	0.3
143.75752	0.2
146.09637	0.5
149.02312	7.2
150.02658	7.9
162.95277	0.3
176.14314	6.1
189.15106	0.3
193.91170	0.3
236.14423	0.4
260.03867	0.3
265.03647	0.6
266.48373	0.3
280.06125	0.9
280.20554	98.8
281.04254	0.4
281.20886	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	279.2314
Annotation	(E,E)-6,10,14-Trimethyl-5,9-pentadecadiene-2,12-dione
Peak:m/z	Relative Intensity
53.03911	2.2
55.05500	19.9
57.03419	5.0
57.07067	83.0
67.05186	2.7
67.05495	38.6
69.07061	27.8
71.04975	3.0
71.08617	90.8
71.61256	5.6
79.05482	38.2
81.07040	70.8
83.04979	12.8
83.08574	6.5
85.02879	14.3
85.06511	5.8
85.09666	3.3
85.10163	47.2
91.05441	10.2
93.07027	23.5
94.72716	2.4
95.08595	70.1
96.08978	2.4
97.06520	7.3
97.10197	3.9
97.30173	2.3
100.29327	2.6
105.07024	6.4
107.08593	16.0
109.06493	4.5
109.10142	6.8
111.04420	4.8
111.08052	2.5
117.06996	4.9
119.08568	4.7
121.06463	4.3
121.10104	9.7
123.08080	6.2
123.09049	2.6
124.01567	2.7
125.09599	11.0
135.08049	3.9
135.11664	7.0
137.06726	2.4
137.09570	3.1
137.13231	10.7
139.11142	6.1
145.10052	3.7
149.02342	20.6
149.09599	3.6
149.13191	3.0
153.09070	7.0
155.13000	4.4
155.14284	73.9
159.11722	2.9
179.14397	2.7
192.42525	2.7
193.15900	3.5
211.16908	4.1
219.17493	3.6
223.20543	6.2
233.22523	3.8
237.18610	4.2
251.23676	62.5
261.22110	15.3
279.23138	100.0
280.23401	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	279.2314
Annotation	(8alpha,13S)-8,13:13,17-Diepoxy-14,15-dinorlabdane
Peak:m/z	Relative Intensity
51.13895	2.0
51.54553	1.6
53.03922	2.2
55.01846	3.8
55.05502	19.1
57.03413	5.4
57.07064	81.3
67.05491	40.6
69.07050	29.5
70.57531	1.8
71.01329	3.8
71.01701	3.5
71.04975	3.8
71.08617	92.1
79.05479	37.5
81.07040	77.4
83.04955	8.9
83.08585	8.4
85.02880	18.0
85.06512	3.3
85.10164	50.5
89.14782	1.9
91.05453	5.6
93.07023	27.6
95.04940	4.1
95.08591	79.1
97.06517	7.6
97.10155	3.0
103.91527	2.4
105.07024	8.1
107.08562	16.2
109.06482	4.1
109.10100	5.2
111.04397	4.4
113.09613	2.4
117.06966	4.5
119.08522	6.0
121.06479	2.9
121.10094	10.3
123.08019	6.6
125.09631	12.8
131.08528	3.9
133.10075	4.2
135.08063	3.2
135.11665	7.7
137.09567	2.5
137.13211	11.0
139.11139	5.4
145.10104	2.8
149.02318	23.5
149.03429	3.2
149.09627	3.8
149.13252	2.3
153.09099	7.9
155.14276	65.8
170.46397	1.8
211.16957	5.3
219.17361	2.1
221.18971	3.3
223.20499	6.6
230.63542	1.7
233.22641	2.5
235.20534	1.8
237.18452	5.5
251.23656	56.8
252.23982	2.9
261.22055	11.1
279.09314	3.1
279.23141	100.0
280.23428	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	278.0807
Annotation	7-Oxodehydroasimilobine
Peak:m/z	Relative Intensity
50.26844	0.2
51.71114	0.2
52.45251	0.3
62.71943	0.2
71.18397	0.8
84.08115	0.6
97.38382	0.3
149.02264	0.9
151.58562	0.3
152.92548	0.2
155.07281	0.7
178.06633	0.6
179.04813	0.3
179.07266	4.9
182.05910	0.5
183.06790	1.7
194.09502	0.4
204.39598	0.3
207.06760	5.6
210.05479	0.5
211.06230	3.9
234.25220	0.3
235.06232	54.9
236.06654	1.4
250.04910	0.5
250.08594	2.8
262.04987	0.8
263.05725	89.2
264.06097	1.4
278.08069	100.0
279.08334	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Plakolide A
Peak:m/z	Relative Intensity
53.03931	0.8
55.05479	1.2
57.03407	0.5
57.07049	1.9
60.89419	0.4
67.05494	2.6
69.07031	1.4
71.08613	1.7
71.80771	0.4
79.05463	1.2
81.03414	2.9
81.07027	1.3
85.10151	0.5
91.05457	0.6
93.07001	0.7
94.04162	1.9
95.04962	5.1
95.08596	2.5
97.82878	0.5
105.07039	2.8
107.08549	1.1
109.01086	0.4
109.02865	3.5
109.10162	0.6
123.04440	0.7
123.08049	9.3
133.06450	0.5
136.05136	0.6
137.09531	0.6
147.04333	0.7
151.07521	11.2
156.36533	0.5
165.09079	3.6
235.16827	0.5
251.96161	0.4
277.21579	100.0
278.21936	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03926	5.1
55.01859	1.3
55.05502	15.3
56.96546	1.8
57.07053	4.0
65.03934	1.6
67.05495	28.6
69.07058	13.9
69.64088	3.3
69.64511	7.3
71.04976	2.5
71.08604	1.8
79.05482	74.1
81.07040	32.6
83.08614	8.3
83.58707	1.3
85.06540	2.1
91.05466	26.2
93.07030	100.0
93.22751	1.1
95.04946	10.1
95.08588	24.9
97.06525	2.5
97.10161	4.3
98.21466	2.6
105.04506	2.1
105.07029	15.3
107.04958	2.1
107.08577	48.2
109.06516	2.4
109.10136	13.5
117.06953	2.7
119.08555	10.6
121.10126	40.3
123.08029	1.8
123.11693	3.3
125.09643	1.3
131.08504	3.4
133.10100	13.4
135.11673	52.1
136.11899	1.5
143.08549	2.6
145.10092	2.5
147.04352	2.0
147.11661	9.8
149.09676	1.6
149.13248	20.5
151.11177	1.4
157.10147	1.9
159.11693	3.6
161.09605	2.1
161.13269	3.3
163.14777	5.4
171.11632	3.8
173.13199	2.9
175.14804	3.0
185.13173	2.5
189.12700	1.4
195.13814	1.3
199.14919	1.2
207.13756	2.0
213.16374	2.2
221.15356	4.2
231.17439	1.9
231.21077	1.3
235.16902	5.3
241.19511	1.3
249.07750	1.9
255.12601	3.2
259.20468	5.6
273.13788	4.2
277.07294	4.9
277.18231	3.2
277.21591	79.0
278.07959	2.2
278.22003	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0315
Annotation	selenoneine
Peak:m/z	Relative Intensity
62.71423	12.2
64.62135	11.2
67.30087	10.3
71.73610	13.4
85.64317	12.0
86.55845	10.9
119.01946	14.2
161.02921	16.5
199.81412	10.5
203.32231	12.3
212.08632	10.8
222.34206	12.2
250.42430	10.6
277.03091	100.0
277.07367	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	277.2158
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02378	1.0
53.03944	4.7
55.05501	16.6
56.30592	1.0
57.07053	4.0
65.03934	1.4
67.05495	30.7
69.07056	15.2
70.69201	3.7
71.04964	1.9
77.03915	1.1
79.05481	69.5
80.05806	1.2
81.07042	34.2
83.04953	1.4
83.08594	7.8
85.06519	1.8
91.04905	1.6
91.05468	25.8
93.07029	100.0
95.04955	6.1
95.08591	23.0
97.06473	1.4
97.10151	4.5
101.06021	1.1
105.07024	12.6
107.08578	55.5
109.06501	2.3
109.09511	1.1
109.10155	16.3
111.08048	1.0
116.22139	0.9
117.06985	2.4
119.08573	12.2
121.10124	39.9
123.11668	3.3
128.91707	1.0
129.06987	2.3
131.08519	4.4
133.10100	11.8
135.08044	1.7
135.11673	53.8
137.09537	1.1
143.08565	1.9
145.10098	3.0
147.11659	7.5
149.09674	1.6
149.13226	21.9
153.09059	1.1
157.10107	2.6
159.11646	3.6
161.09608	1.2
161.13220	3.7
163.14783	5.8
167.10646	1.5
171.11688	2.1
173.13232	3.2
175.11157	1.1
175.14799	1.8
177.12697	1.5
180.49077	1.0
181.12263	1.7
185.13251	3.0
193.12138	1.7
195.13757	2.0
199.14825	1.4
207.13812	1.7
213.16319	2.4
221.15343	2.3
235.16997	4.6
241.19446	2.1
259.20535	4.0
263.05884	1.4
277.21573	86.7
278.08047	2.2
278.21796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.2317
Annotation	Lanyuamide III
Peak:m/z	Relative Intensity
55.01836	0.5
55.30795	0.3
57.07064	0.5
62.10423	0.3
71.78974	0.3
71.79394	0.4
91.05482	0.5
93.05770	3.0
93.06973	0.4
95.08557	0.5
107.07320	2.3
107.08509	0.4
108.04459	2.1
118.06532	0.4
120.08088	1.3
121.08882	0.5
122.05964	0.8
122.09657	2.4
130.06479	1.1
132.08049	0.7
133.05202	0.5
134.06004	3.5
134.09660	0.5
135.06796	0.7
136.07622	0.4
144.08046	0.9
147.04349	0.5
148.07558	4.2
150.09097	0.4
162.09108	3.8
164.10687	3.4
176.10713	0.4
179.10526	0.3
223.97449	0.4
234.18553	2.2
234.22064	1.6
235.17000	0.6
258.22192	0.8
276.23187	100.0
277.23508	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.2317
Annotation	Lanyuamide III
Peak:m/z	Relative Intensity
50.61422	0.3
53.03935	0.6
57.07068	5.9
58.34438	0.4
58.71363	0.3
67.05506	1.5
67.90466	0.3
69.07065	0.9
71.08276	0.5
71.08624	4.9
71.40187	0.7
79.05481	3.7
81.07044	2.5
85.10179	3.0
88.07655	0.6
91.05452	0.5
92.84032	0.3
93.07039	0.4
95.04955	1.0
95.08600	3.2
103.05455	2.7
105.07016	100.0
106.07355	0.9
122.09649	36.7
123.10029	0.5
137.13170	0.4
139.86597	0.3
146.09627	0.9
155.14279	1.1
161.56491	0.4
163.07542	0.3
172.16946	1.2
179.10674	0.7
183.90935	0.3
196.61438	0.4
234.84082	0.3
235.16917	3.7
247.14203	0.3
276.06537	0.5
276.23193	48.0
277.07239	0.4
277.18018	4.3
277.23560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.59039	1.7
55.01844	3.0
55.05502	10.8
57.07053	7.6
67.05481	11.3
69.03408	2.1
69.07057	9.8
70.06563	7.5
71.04975	18.7
71.06911	2.8
71.08627	1.9
71.20728	3.8
71.21108	4.0
79.05481	9.4
81.07043	10.8
83.04961	7.6
83.08591	4.6
85.06519	13.1
88.07609	11.4
89.07976	2.9
91.05456	18.0
93.07030	25.8
95.04945	5.4
95.08583	18.3
97.06466	2.3
102.09161	2.7
105.07015	27.8
106.08627	6.4
107.08546	21.1
109.06495	19.7
109.10140	10.1
110.07146	4.7
111.08065	18.9
117.06994	8.4
119.08564	33.3
121.10123	27.5
123.08069	3.4
123.11676	6.8
128.06255	2.6
129.06999	4.9
131.08534	27.7
133.10100	32.1
135.08015	30.6
135.11684	4.3
137.09570	7.2
139.47606	2.2
141.06947	3.1
142.07715	5.8
143.08546	15.1
144.09300	3.0
145.10086	33.2
147.11635	10.3
149.09590	4.2
149.13226	3.1
155.08514	4.1
156.07668	2.4
156.09351	5.7
157.10100	31.0
158.10886	11.6
159.08031	3.0
159.11668	46.0
161.09624	4.3
163.11159	5.9
168.09218	2.3
169.10074	8.1
170.10916	3.1
171.11636	13.2
173.09576	4.2
173.13228	67.8
174.13869	5.7
175.11208	9.0
175.14806	7.1
177.12743	8.0
183.11650	13.2
184.12497	2.2
185.13232	4.2
187.11189	6.4
187.14777	12.9
189.12595	2.5
191.14352	9.7
195.11746	2.0
197.13210	10.1
199.14781	19.8
201.12686	11.8
213.16397	8.7
214.16960	2.4
215.14198	1.9
215.17966	8.1
217.15851	3.7
219.13916	2.2
239.17892	8.7
257.18951	25.7
257.26627	3.0
272.54349	2.2
275.04926	2.2
275.19992	35.2
275.27707	100.0
276.23193	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
53.21705	1.2
55.01834	1.1
55.05490	3.5
57.07049	3.1
59.62202	1.1
60.05973	0.9
67.05487	4.0
69.03424	1.5
69.07057	14.4
69.60737	1.1
70.06567	1.6
70.84384	3.4
71.04972	3.2
79.05469	3.4
81.07042	6.4
83.04958	1.6
83.08595	1.5
85.06525	3.7
91.05454	6.3
93.07023	11.1
94.65334	1.0
95.04955	2.4
95.08189	0.8
95.08588	9.2
97.06522	1.2
99.08094	1.2
105.06995	8.4
105.67406	1.0
107.08573	8.3
109.06492	3.6
109.10154	6.9
111.07292	1.6
111.08057	22.2
111.11668	1.3
113.09636	5.4
113.92405	1.1
117.06982	3.5
119.08562	9.6
121.06460	3.6
121.10104	8.5
122.07265	4.4
123.08051	18.1
123.11665	2.2
129.07005	1.8
130.07784	1.6
131.08549	9.1
133.10101	7.1
135.08029	27.2
135.11668	5.2
137.09476	2.4
139.11142	2.5
142.07759	1.1
143.08528	3.8
145.10088	8.6
147.11679	7.9
148.08783	1.8
149.09564	2.9
149.13234	1.5
156.09311	2.9
157.10074	4.2
159.11646	11.1
161.09613	3.5
163.11143	4.2
165.12694	3.2
171.11665	21.8
173.13248	7.5
175.11169	1.2
175.14799	2.7
176.11896	5.9
177.12701	2.0
181.12192	18.3
183.11639	2.3
187.11165	1.9
189.12711	2.8
191.14273	100.0
192.14630	2.2
197.13232	1.6
199.14816	9.0
201.12636	1.4
213.16290	2.4
215.17934	4.4
217.15837	8.6
231.17345	1.6
231.21849	1.1
239.17955	3.5
257.18967	14.3
275.04990	1.2
275.20010	56.1
275.27689	11.2
276.20288	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0907
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03921	0.2
69.03420	0.2
69.65970	1.5
70.73954	0.1
72.71277	0.2
79.05480	0.6
95.04942	0.9
98.20692	0.4
103.76877	0.2
104.57665	0.2
105.04508	0.2
107.04933	100.0
108.05263	0.9
118.93650	0.2
121.06495	0.3
123.04376	0.3
127.03883	1.0
137.06050	0.2
138.04933	0.2
149.05934	1.2
151.03877	1.3
169.04935	11.4
196.01747	0.2
222.42763	0.2
265.78683	0.2
275.09036	3.0
275.20078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.05491	0.4
67.05486	0.2
69.03393	0.3
69.07061	0.3
69.23235	0.2
69.72546	1.7
74.37469	0.2
74.59200	0.2
79.05464	0.7
81.07029	0.5
83.04977	0.3
85.02885	0.3
87.96371	0.2
91.05460	0.3
93.07014	0.3
95.04958	0.9
95.08600	0.4
97.06537	0.3
98.20621	0.2
105.04494	0.3
105.06985	0.3
107.04933	100.0
108.05257	0.9
108.97220	0.2
110.94714	0.2
121.10109	0.3
123.04370	0.4
127.03912	1.3
133.10112	0.4
137.09561	0.2
147.11719	0.2
147.34602	0.2
149.06001	1.0
151.03871	1.5
169.04936	10.7
172.49117	0.2
214.15163	0.2
275.05710	0.4
275.09097	3.3
275.20126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67282	20.8
62.70343	20.3
70.20565	100.0
89.92894	19.7
96.13624	23.2
98.20800	31.6
127.38608	21.8
128.00215	22.7
128.14621	20.3
138.74158	22.9
156.88568	22.1
212.85231	34.0
221.01912	35.2
274.89017	25.6
275.01584	52.4
275.05994	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	275.0481
Annotation	Phenylbenzimidazolesulfonic acid
Peak:m/z	Relative Intensity
67.05489	0.3
67.67045	0.3
70.06560	0.3
71.79803	0.3
80.05035	0.3
81.03399	0.3
81.07047	0.5
86.09676	0.5
91.05492	0.3
92.04969	0.3
97.02898	0.3
105.07019	0.4
107.04908	0.4
108.04436	1.3
109.06483	0.3
119.04884	0.3
121.02887	0.3
121.06500	0.3
126.09089	0.5
137.02263	0.4
147.04424	0.5
154.08537	1.3
156.08083	0.3
166.08051	0.3
182.08359	0.9
184.07483	0.4
193.07590	1.7
193.09113	0.3
194.08353	14.6
195.09137	5.6
196.09393	0.4
202.08649	0.5
210.07808	0.9
211.08650	2.6
226.07326	12.9
227.07631	0.7
275.04797	100.0
276.05112	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	274.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.5
67.05486	0.6
69.68547	3.6
70.06569	0.9
78.95987	0.5
81.03399	1.6
81.07048	0.7
83.04987	0.6
91.05479	0.7
93.07024	0.9
95.04907	0.6
97.69412	0.6
103.05466	1.3
105.03362	1.6
107.01306	0.5
107.04977	0.5
109.02868	1.4
120.08083	55.2
121.08437	0.7
127.03938	2.1
133.44270	0.5
137.02322	100.0
137.90169	0.5
138.02634	0.7
161.06032	0.4
185.09937	1.0
200.04730	0.5
217.05125	0.5
228.04158	2.0
229.04924	1.5
256.09641	16.5
257.04218	0.6
274.04623	6.2
274.07111	2.0
274.10590	0.7
274.27377	1.9
275.05347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2735
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
52.44455	0.3
57.07066	6.0
58.06576	0.6
62.06055	0.5
70.06201	0.6
70.06580	9.9
70.84612	0.5
71.08615	2.9
74.06094	0.3
85.10146	0.9
88.07617	14.4
98.21317	0.4
102.09165	5.0
106.08650	7.6
205.70912	0.3
212.23753	0.6
230.24857	1.0
254.80621	0.3
256.26312	6.0
274.27365	100.0
275.27686	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	274.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01862	0.6
58.25548	0.3
63.55525	0.3
70.06592	0.4
70.37803	1.3
71.01311	0.3
73.95105	0.3
79.05494	0.4
81.03404	2.0
91.05465	6.5
93.07027	11.9
95.04951	2.9
103.05451	7.6
105.04519	0.4
109.02870	1.2
111.04423	1.2
121.06485	100.0
122.06782	0.6
127.03850	1.9
137.02322	98.3
138.02693	0.5
138.09119	27.3
154.04953	1.4
172.84599	0.3
228.42598	0.3
258.70969	0.4
274.10687	24.1
274.27374	1.0
275.04904	0.6
275.10812	0.4
285.52200	0.3
287.25949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38227	0.3
53.03918	1.3
53.75880	0.4
55.01843	0.9
55.05489	0.6
63.55613	0.4
64.19636	0.4
70.06572	0.5
70.78209	1.6
71.01328	0.6
71.04961	0.6
74.02882	0.4
81.03402	1.7
91.05463	8.7
93.07026	13.6
95.04950	3.2
103.05444	7.8
105.04502	0.5
109.02870	1.4
111.04428	2.0
117.64966	0.4
119.04905	0.5
120.05240	0.8
120.08117	2.4
121.02868	1.4
121.06483	97.9
122.06779	0.8
127.03906	1.9
137.02321	100.0
138.02666	0.7
138.09116	29.8
143.17053	0.4
144.06636	0.6
147.04384	0.7
147.30435	0.5
148.04739	2.1
153.01808	3.4
154.02141	2.7
154.04987	1.7
164.06982	0.6
168.06433	0.5
180.06549	0.5
187.04228	0.4
228.04195	2.9
229.04941	2.4
245.04416	0.8
246.05081	0.6
259.04788	0.6
274.04663	10.9
274.07748	6.2
274.10806	26.3
274.27164	1.9
275.05371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2571
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05501	11.5
57.07061	5.8
65.03920	2.3
67.05139	1.2
67.05492	21.4
69.07058	31.9
70.79264	4.0
71.08610	1.8
79.05480	11.2
81.07040	58.4
82.07373	1.1
83.08598	12.3
83.19141	1.0
88.07597	1.2
91.05468	12.7
91.77577	1.0
93.07030	33.0
95.08588	64.0
97.10146	10.2
105.06318	2.0
105.07011	26.1
107.08572	45.6
108.08907	1.2
109.06527	1.2
109.09386	2.5
109.10136	52.1
111.11687	4.6
117.07012	2.4
119.08552	26.2
121.10122	44.6
123.11684	43.7
124.11983	1.1
125.13219	2.3
131.08542	2.0
133.10098	17.5
135.11664	26.2
137.13222	11.7
147.04366	1.5
147.11670	15.3
149.13226	44.2
150.13580	1.5
151.14781	7.6
153.01765	2.4
159.11661	1.3
161.13232	28.7
163.14799	26.7
165.16360	2.3
173.13155	1.6
175.14795	12.4
177.16336	15.9
189.16342	19.6
191.17921	8.3
203.17920	15.9
217.19476	28.1
231.20995	3.9
273.07300	1.7
273.22614	3.7
273.25714	100.0
274.27139	4.3
287.73093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05487	12.3
57.07056	9.3
67.05494	10.2
67.81467	3.9
69.07055	13.1
69.77557	36.6
70.06542	5.5
79.05466	11.8
81.07059	21.1
81.94772	3.9
83.04976	10.9
83.08633	6.3
86.09665	4.5
91.05469	21.4
93.07040	18.8
95.04951	12.0
95.08579	14.4
96.65881	3.9
97.06512	6.5
105.03363	6.0
105.07011	39.2
106.07355	12.9
107.04916	4.6
107.08579	18.9
109.06510	17.5
109.10126	11.4
111.08120	4.4
117.06980	7.4
119.04972	11.6
119.08598	29.7
121.10122	18.6
123.11649	7.9
129.06969	9.4
130.07751	6.1
131.08536	13.5
133.06483	10.5
133.10109	24.3
135.08022	10.7
135.11674	9.1
137.09709	4.7
141.06937	4.7
142.07777	11.4
143.08539	17.3
145.10094	19.3
147.04391	24.2
147.11714	11.1
151.03893	16.3
152.04242	19.2
153.01793	37.2
153.06888	4.6
155.08549	16.0
156.09323	10.1
157.10103	28.9
159.11697	12.8
169.10109	24.6
171.11647	28.3
173.09631	11.6
173.13174	7.0
175.11153	10.9
180.09294	5.0
181.10136	4.4
182.10887	9.7
183.11714	7.7
185.13153	10.8
189.12744	7.6
195.11681	11.7
196.08522	5.0
196.12370	5.2
197.13225	35.4
199.11131	20.5
211.14822	21.4
212.15605	15.0
213.12843	6.5
213.16312	22.4
215.14148	5.8
227.14229	8.1
229.15921	6.1
237.16397	9.6
239.03943	4.5
255.17412	61.5
273.03918	17.9
273.07520	31.7
273.13248	7.7
273.15628	9.4
273.18469	100.0
273.22955	7.1
273.25549	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	273.1844
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03912	1.1
55.01844	1.1
55.05484	3.5
57.07052	4.5
59.04983	1.3
67.01839	1.2
67.05511	5.5
68.99756	1.0
69.03385	2.7
69.07065	5.8
70.41912	1.1
71.04968	1.7
71.45966	1.7
71.46304	1.4
72.08147	0.9
74.22384	1.1
79.05479	8.1
81.07046	9.2
83.04963	3.0
85.06512	2.4
86.09670	1.2
90.39005	0.9
91.05469	14.3
93.07027	10.9
94.16761	0.9
95.04944	4.6
95.08590	8.0
97.02859	1.0
97.06516	3.2
97.10101	1.6
103.05414	1.6
105.03365	2.0
105.07014	21.9
107.04944	2.3
107.08570	13.7
109.06498	21.1
109.10130	4.5
111.04395	1.8
111.08035	1.8
115.05437	2.3
117.06989	4.6
119.04929	15.1
119.08550	18.2
120.08083	2.1
121.02849	19.1
121.06454	2.1
121.08389	1.3
121.10120	14.6
122.03191	13.9
123.04390	4.4
123.08044	2.1
128.06161	2.7
129.06975	5.6
130.07698	1.3
131.08534	12.9
133.06453	10.3
133.10120	10.3
135.08038	7.5
135.11658	1.5
137.09584	2.2
141.06960	4.2
142.07762	9.3
143.08559	13.9
144.09274	2.3
145.06422	1.3
145.10098	16.7
147.03281	2.2
147.04391	34.5
147.08017	3.6
147.11639	9.8
149.09575	7.1
151.11183	1.7
153.01797	70.6
153.06966	2.1
154.02104	1.8
154.07777	2.1
155.08490	9.5
156.09335	12.1
157.06406	1.3
157.10103	22.1
158.10905	1.2
159.07971	2.7
159.11690	7.3
161.09619	4.7
161.13202	1.5
165.06981	2.9
166.07713	1.5
167.08554	4.6
167.10637	3.1
169.08789	1.8
169.10103	15.1
170.10881	4.2
171.02861	2.3
171.08087	1.3
171.11665	23.0
171.13042	2.1
172.12431	1.7
173.09616	15.6
173.13235	5.7
174.10323	2.7
175.03755	1.2
175.11160	9.1
177.12611	1.2
179.08574	1.5
180.09308	2.4
181.10120	5.8
182.10895	10.0
183.11697	7.3
185.09612	2.3
185.13239	7.1
187.11180	3.4
187.14818	2.9
189.12737	14.8
193.10103	3.0
194.10950	1.6
195.11694	9.0
196.12439	3.6
197.13240	32.6
198.13962	4.2
199.11171	15.4
200.11839	1.7
207.11720	2.4
208.12486	1.8
209.13225	2.9
211.11203	1.1
211.14793	13.5
212.15520	7.6
213.12729	4.6
213.16333	20.7
214.13466	1.4
215.14244	7.3
217.12248	3.2
222.13954	3.7
225.12688	2.5
226.13371	1.8
227.14241	10.3
227.17793	1.4
229.15822	8.7
230.16658	3.2
231.17488	5.0
235.82854	1.1
237.16356	7.5
240.15092	4.8
241.10553	4.1
255.17393	48.5
256.17810	1.3
273.03931	4.2
273.07516	56.4
273.12213	3.3
273.18445	100.0
273.25751	2.6
274.07825	3.7
274.18823	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	273.0752
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.98999	0.2
51.28012	0.2
55.05497	0.7
57.03434	0.3
57.07056	0.2
63.59564	0.2
65.03934	0.4
67.01532	0.4
67.01858	4.7
67.05483	1.0
68.99776	2.2
69.03423	1.5
69.07063	0.4
69.40079	0.2
71.04992	0.3
71.79789	0.5
79.05476	0.5
79.42103	0.2
81.03403	0.6
81.07040	2.7
81.72314	0.2
83.01325	0.4
83.04980	0.3
85.02878	0.3
86.09663	0.2
87.00795	0.3
91.05460	5.6
93.07056	0.4
95.04958	2.1
95.08584	0.5
97.02867	1.2
100.71823	0.2
105.07009	0.6
107.04925	3.0
107.08546	0.4
109.06496	0.4
111.00790	0.7
111.04417	0.7
115.05439	0.3
119.04926	13.8
121.02859	1.4
121.06502	1.4
122.03166	0.6
123.04408	3.3
123.11687	1.2
125.02318	0.4
127.03890	0.8
127.78690	0.3
129.01811	0.7
133.10017	0.5
137.02354	0.5
137.05963	0.4
141.12694	0.5
143.08582	0.3
145.06462	0.9
145.10133	0.4
147.04385	39.6
148.04710	1.1
151.03877	1.0
151.11159	1.0
153.01801	100.0
154.02084	1.2
161.05986	1.7
163.03944	0.3
169.12282	0.2
171.02863	18.0
171.08015	0.3
172.03188	0.3
179.03354	1.5
181.06538	0.4
183.06746	0.2
187.11252	0.3
189.05418	0.8
213.09012	0.3
217.04977	0.6
226.06387	0.3
227.03333	0.3
231.06396	0.3
231.10011	0.7
240.07726	0.3
245.04451	0.5
255.02788	0.3
255.06448	0.7
255.10143	2.1
273.04117	3.4
273.07529	75.5
274.04114	0.4
274.07867	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	273.0751
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01863	0.5
55.05489	0.4
60.10118	0.3
65.02903	0.3
65.03922	0.8
65.04243	0.3
67.01865	1.7
67.05493	1.1
68.99772	1.1
69.03397	1.3
69.07060	0.6
70.37505	1.6
72.83762	0.3
73.41652	0.3
81.03410	0.4
81.07043	0.7
83.01321	0.4
91.05461	6.1
93.07024	1.0
95.04955	2.5
95.08576	0.8
97.02875	1.2
98.21342	0.4
105.06997	0.7
107.04905	2.1
107.08569	0.4
109.10141	0.5
111.04428	0.4
119.04919	16.5
121.02829	0.5
121.06487	0.6
121.10135	0.4
123.04408	4.2
137.02277	0.5
147.04381	41.3
147.11736	0.5
148.04700	1.0
149.13275	0.3
151.03883	0.7
153.01797	100.0
154.02124	1.7
157.10120	0.6
161.06068	0.5
163.07526	0.4
170.93987	0.4
171.02855	3.1
179.03345	0.7
189.05495	1.3
199.11214	0.4
207.81450	0.4
245.04507	0.4
255.06435	0.8
255.17337	0.4
273.07526	76.9
273.18472	0.9
274.07919	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	272.2003
Annotation	2-Nonylquinolin-4(1H)-one
Peak:m/z	Relative Intensity
51.02379	0.5
51.91672	0.5
53.03935	0.7
55.05499	1.9
56.21413	0.5
57.07072	6.3
58.06602	0.7
59.04987	0.9
60.29676	0.6
62.06069	0.7
64.67003	0.5
67.05495	7.4
68.68353	0.5
69.07059	22.8
71.79253	0.5
72.08137	1.1
79.05492	4.2
79.97084	0.5
81.07047	11.3
82.07380	0.5
82.82999	0.5
83.04974	2.7
83.08603	6.9
91.05457	1.0
91.98485	0.5
93.07024	1.5
95.04952	5.7
95.08585	2.1
97.06554	0.7
99.04440	0.6
103.05437	3.4
105.07018	100.0
106.07359	2.0
107.08575	3.1
109.06507	4.1
109.10144	8.1
110.06055	0.6
110.10479	0.7
111.44550	0.4
117.07070	0.4
120.08117	0.7
121.10105	0.8
122.09673	2.7
123.08087	0.5
123.11700	11.8
123.12591	0.7
125.13257	13.7
130.06523	2.3
133.10089	0.9
148.07555	20.8
151.11166	5.1
204.13818	1.3
216.13844	3.7
231.37431	0.5
254.24866	0.8
272.11270	1.8
272.20065	55.1
272.29440	4.7
273.07550	1.7
273.20465	2.3
287.73914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0751
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.84853	0.4
52.72447	0.3
55.01880	0.4
55.05483	0.4
57.51471	0.4
63.92585	0.4
67.01852	2.7
67.05495	0.8
68.99783	1.9
69.03407	1.7
70.06590	0.4
70.40015	0.9
70.40413	0.7
74.35452	0.5
81.07032	1.0
85.02873	0.4
87.00830	0.4
91.05463	5.9
93.07027	1.0
95.04958	2.2
97.02872	1.0
99.85198	0.4
105.06989	0.5
107.04904	2.7
111.00718	0.5
111.04421	0.5
115.05424	0.6
115.57200	0.4
119.04922	16.5
120.08057	0.4
121.02830	0.5
121.06463	1.3
121.10129	0.5
123.04413	3.5
123.11692	0.5
127.02143	0.4
130.06485	1.2
132.08064	1.7
133.10123	0.6
137.02310	1.7
137.85860	0.4
144.08054	0.4
147.04379	46.0
148.04724	0.8
151.03970	0.9
153.01794	100.0
154.02110	1.5
159.09140	5.4
169.07587	1.7
170.06009	2.3
171.02864	4.5
171.04176	0.8
179.03313	0.8
184.07542	0.9
185.07100	2.8
187.08601	1.2
189.05417	1.4
193.04193	0.4
200.06979	1.3
201.10204	0.6
217.05011	0.6
227.08099	2.7
245.04366	0.8
245.09221	5.2
255.02962	0.5
255.06538	0.6
273.04041	6.7
273.07510	89.7
274.04520	1.2
274.07834	3.6
274.10657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1277
Annotation	Carbazomycin C
Peak:m/z	Relative Intensity
52.03150	0.3
53.03922	0.5
54.20761	0.2
55.01855	0.4
57.17713	0.2
65.03922	0.8
67.05485	0.9
70.68688	0.3
70.69074	0.3
77.03922	0.3
79.05476	4.1
85.02898	0.2
91.05482	0.2
93.03388	0.5
95.04957	1.3
103.05438	2.9
105.03413	0.4
105.07011	52.6
106.07372	0.4
106.08624	0.4
107.04961	0.4
108.02092	1.0
109.02861	0.5
110.03637	4.9
111.04445	1.6
112.01512	0.2
121.02822	0.5
122.03162	0.4
122.09644	0.5
123.04431	0.3
125.05963	6.6
125.06892	0.3
127.03875	0.2
130.06509	0.4
136.01552	0.5
141.05438	2.7
148.07558	1.8
151.03879	100.0
151.04890	5.1
152.04262	0.9
153.01767	0.2
168.06592	0.3
220.23712	0.2
254.08141	0.2
272.12772	40.0
272.25861	0.4
273.13144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
55.01867	2.0
55.05479	3.4
57.07056	2.5
67.05492	16.2
69.07050	15.4
71.81551	2.3
77.43945	1.3
79.05476	11.2
80.69279	1.4
81.03400	30.8
81.07036	14.8
82.06547	1.5
83.04958	5.8
83.08592	1.7
90.05547	2.1
91.05456	4.1
93.07020	4.2
95.04945	17.8
95.08565	2.7
102.45930	1.4
103.05432	4.6
105.07011	100.0
106.07324	2.5
107.08534	3.5
109.06424	2.2
109.10143	3.9
119.04945	1.9
120.08157	1.7
122.09622	6.6
133.10083	4.4
147.04443	2.4
148.07529	2.9
151.11159	28.2
153.01779	3.9
226.10625	1.8
244.58385	1.4
254.24823	1.7
272.11084	3.0
272.20044	86.5
272.29459	6.0
273.07474	4.9
273.18201	2.7
273.20724	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1277
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
63.62930	0.2
65.03924	1.3
66.36786	0.2
67.05498	0.3
69.07065	0.2
71.48122	0.3
77.66213	0.2
80.01845	0.2
91.05453	0.7
93.03389	0.2
93.07031	0.3
95.04965	0.4
95.08588	0.3
103.05477	0.2
105.03372	3.1
105.07000	0.3
106.03707	0.3
107.04908	0.2
110.95932	0.2
111.04441	3.6
118.06506	1.1
119.04911	1.0
120.08087	7.4
121.02850	100.0
122.03148	1.0
123.04449	0.2
136.07539	0.2
137.02350	0.4
147.04362	1.0
151.07509	0.5
153.01794	2.0
162.05560	0.2
240.10168	14.6
241.10596	0.4
254.24818	0.3
272.06305	5.4
272.13071	0.3
272.16403	0.2
273.04593	0.2
273.07544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
53.55489	0.2
62.89080	0.2
65.03936	1.0
65.32232	0.2
68.99776	0.2
69.03401	0.2
69.07038	0.3
69.61768	0.2
69.62101	1.9
73.98151	0.2
77.89648	0.2
81.07032	0.3
91.05455	0.9
95.04960	0.6
95.08602	0.2
97.02866	0.3
97.81046	0.2
98.20694	0.4
100.07656	0.3
103.05449	0.3
105.03374	4.4
105.07018	0.3
105.47980	0.2
107.04926	0.4
110.06008	0.4
110.07115	0.3
111.04421	3.6
116.23194	0.2
118.06510	1.7
119.04914	0.8
120.08084	8.2
121.02843	100.0
122.03204	0.8
122.06001	0.5
123.04396	0.3
125.61758	0.2
136.07532	0.2
137.02315	0.6
147.04358	0.7
151.07498	1.0
153.01799	1.5
162.05516	0.3
170.83591	0.2
198.72202	0.2
226.10678	0.2
240.10159	15.3
241.10405	0.3
272.06335	3.9
272.09085	0.3
272.13028	0.5
272.19348	0.2
272.25830	0.2
273.07660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
53.03940	2.8
55.01868	0.3
65.03919	0.3
66.72801	0.2
66.91441	0.2
71.07774	0.4
71.08178	0.4
77.03907	0.7
79.05479	0.5
80.19303	0.2
81.03403	0.4
81.07040	0.3
91.05464	9.9
95.04951	7.8
104.04971	0.3
105.03374	100.0
106.03715	0.9
107.04929	0.2
119.04922	8.4
121.02825	0.8
122.05997	2.5
123.04408	0.2
123.07990	0.2
136.05171	1.2
137.02295	0.5
137.05934	0.9
138.05444	0.3
151.07518	30.3
152.07893	0.2
153.01811	0.3
244.11868	0.2
255.10068	1.3
262.42136	0.2
272.12817	13.1
273.04062	0.2
273.07449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
50.46473	0.3
51.01170	0.3
51.02359	0.4
51.78844	0.3
53.03936	2.8
55.01860	0.3
60.71659	0.4
65.03933	0.6
66.45224	0.3
67.05505	0.3
69.03365	0.3
70.06575	0.3
71.56969	0.5
71.57310	0.4
77.03909	0.9
81.03387	0.6
91.05460	11.2
95.04955	7.6
97.02889	0.6
105.03373	100.0
106.03694	0.9
107.04943	0.4
109.02842	0.8
109.67315	0.3
110.03191	0.3
111.04420	0.4
119.04922	8.8
121.02839	1.8
122.06043	0.4
123.08094	0.4
127.03893	0.4
128.04198	0.3
134.30753	0.3
136.05174	1.3
136.07567	0.5
137.02307	1.6
137.05943	0.6
151.07515	30.2
153.01819	0.5
217.04956	0.3
245.04510	0.4
255.06567	0.4
255.10176	1.8
272.06354	3.2
272.12787	14.8
273.03888	2.0
273.07144	0.4
273.13177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1276
Annotation	(R)-Norcoclaurine
Peak:m/z	Relative Intensity
50.40703	0.4
51.02372	0.5
53.03936	0.9
55.01855	0.5
56.96551	1.2
63.32579	0.5
65.53169	0.5
67.05480	1.0
69.03403	0.8
69.97674	3.0
70.06573	1.3
79.05482	1.1
81.03416	0.9
83.04955	0.8
85.02868	0.9
91.05470	2.2
95.04937	2.9
96.08121	1.0
98.20731	0.5
99.00785	1.2
103.05491	0.6
105.03368	4.6
105.06993	0.8
107.04938	100.0
108.05280	0.7
109.02835	0.6
111.04411	1.5
115.05433	5.2
117.07007	0.9
119.04913	1.2
121.02843	5.7
121.06483	2.1
122.05990	2.2
123.04411	8.5
124.07601	0.7
124.99112	0.6
127.03865	1.0
131.04883	1.3
133.06448	1.8
135.04414	1.1
136.07573	5.9
137.02342	7.0
137.05977	1.1
138.05484	1.8
143.00121	1.6
143.04901	8.9
145.06454	7.2
145.07527	0.5
149.05994	1.4
151.03957	0.8
152.06985	0.5
153.01752	0.6
155.06039	0.6
160.07643	0.5
160.97423	0.6
161.01193	2.2
161.05954	17.7
163.03938	1.2
164.07088	1.2
181.10117	0.9
185.01221	0.6
189.00659	0.6
191.08594	1.3
194.07266	2.0
195.08171	0.6
208.07552	1.0
209.09622	2.9
219.08023	0.8
226.06288	1.0
237.09039	3.9
240.07666	0.5
249.02858	1.3
255.10126	28.9
266.99942	0.6
267.03888	2.2
272.12839	53.1
273.12875	0.8
285.04846	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1689
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
55.05498	8.7
57.03432	3.9
57.07054	4.5
58.66516	3.4
67.05492	8.3
69.03416	4.4
69.07059	7.5
71.04972	20.0
71.80897	2.8
71.81288	4.1
79.05486	18.9
81.07041	18.7
83.08624	5.1
85.06533	7.5
91.05466	24.9
93.07027	38.4
95.04954	12.0
95.08591	29.1
97.06511	4.3
101.79594	3.6
105.03360	6.9
105.07014	60.7
106.03705	5.5
107.08571	22.4
109.06503	100.0
109.10146	6.5
111.08043	6.5
117.07005	12.5
119.08579	18.8
121.06472	6.0
123.08043	7.5
128.06219	5.6
129.07002	12.1
129.73016	3.0
130.07701	3.9
131.08565	24.4
133.10121	6.2
135.08031	41.7
137.09570	12.0
141.06967	6.0
142.07779	8.8
143.08539	27.2
145.10117	38.1
147.08014	10.8
147.11673	5.4
149.09587	14.0
153.06926	4.9
154.07797	4.1
155.08511	19.1
156.09340	13.4
157.10086	16.2
159.08084	8.7
159.11678	16.5
159.91069	3.5
161.09576	5.3
165.06995	14.9
167.08531	8.3
168.09222	4.9
169.10094	23.3
170.10838	4.8
171.11684	48.6
173.09627	7.7
179.08556	6.7
180.09328	12.4
181.10109	9.2
183.07999	7.9
183.11674	13.4
185.13240	16.9
187.11049	7.3
195.11697	51.9
196.12367	5.5
197.09676	3.3
198.10449	5.0
201.12717	10.6
203.03426	3.7
209.13260	6.9
210.14104	4.4
211.11301	3.8
211.14809	24.6
212.55499	3.5
213.12704	52.7
220.12413	4.0
221.58508	3.0
228.15158	4.1
229.15862	11.2
235.14815	5.6
253.15846	18.4
271.05951	18.7
271.16937	37.6
271.20200	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	272.0912
Annotation	Citrusamine
Peak:m/z	Relative Intensity
53.03941	2.0
53.04141	0.5
55.01857	0.6
66.88618	0.4
69.07037	0.4
70.06557	0.4
71.01311	0.8
71.61143	1.0
79.05486	2.6
81.03389	2.7
81.07066	0.4
91.05469	9.2
95.04951	2.9
105.03373	34.7
106.03639	0.5
109.02842	2.5
118.06537	0.8
119.04919	6.5
121.02838	4.5
122.06006	23.5
123.04413	4.1
127.03902	3.8
132.04440	2.9
133.02829	1.4
136.07552	58.4
137.02322	100.0
137.03392	6.2
138.02652	1.1
150.05481	1.2
151.03874	1.7
154.88539	0.4
162.05498	0.5
178.31715	0.4
187.24884	0.4
189.00716	0.4
198.08170	0.4
221.50957	0.4
229.08534	0.5
272.06448	0.8
272.09109	10.1
273.04105	1.0
273.07434	0.8
280.39542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03711	0.7
53.03939	12.1
55.01859	0.9
55.05488	1.1
55.86926	0.8
57.03415	2.1
61.02892	0.7
65.99839	0.7
66.58289	0.7
67.50727	0.8
69.03418	22.0
71.04975	4.9
71.12295	1.2
71.12618	1.0
73.02907	11.9
81.03402	30.3
83.27514	0.7
85.02894	12.5
87.04424	1.5
91.05453	1.2
92.16203	0.8
93.72919	0.8
95.08569	1.0
97.02882	14.0
97.30450	0.7
99.04435	31.5
103.03924	5.4
107.04913	0.8
107.08511	0.7
108.05323	1.2
109.02857	100.0
110.03175	1.3
121.02834	2.1
123.04372	0.7
127.03892	55.5
145.04953	4.4
153.01805	1.9
160.66698	0.8
166.33211	0.7
169.04959	1.7
197.42094	0.8
209.08025	1.7
235.05980	1.0
253.07152	1.7
254.11806	0.8
271.05801	21.6
271.08191	4.0
271.14496	0.9
272.06149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.9
55.01852	1.3
55.05496	1.5
56.96560	0.9
57.03415	1.8
57.07059	1.2
57.16238	0.6
61.02905	0.5
67.05491	1.9
68.12288	0.5
69.03418	21.3
69.07048	1.9
70.06587	0.8
71.04978	4.5
71.08616	0.5
71.79177	0.9
71.79519	0.6
72.08157	0.6
73.02902	10.0
76.52754	0.6
79.05495	1.0
81.03402	31.5
81.07030	2.1
81.51763	0.5
82.03720	0.5
83.04959	1.7
83.08603	0.8
84.08119	0.7
85.02889	12.2
85.06524	0.8
86.09630	1.0
87.04456	2.3
91.05457	1.6
93.07038	1.4
95.08607	1.5
97.02875	16.0
97.10161	0.7
98.20972	0.6
99.04438	32.2
103.03918	7.8
105.03426	1.4
105.07021	1.1
107.04316	0.6
107.04936	3.9
107.08587	1.0
109.02855	100.0
109.10144	1.4
110.03142	1.2
110.07150	0.6
119.04910	0.6
119.08581	0.7
121.02840	5.1
123.04423	1.1
123.11678	0.7
127.03896	60.5
128.04245	0.7
136.07562	0.9
137.02318	1.5
137.05981	1.0
138.05502	1.0
141.99509	0.6
143.00188	0.6
145.04913	4.7
145.06493	0.6
147.04378	1.0
149.05975	0.6
151.03882	0.8
161.05981	1.0
163.07472	1.0
169.04964	2.5
169.06306	0.6
173.05942	0.5
197.05896	0.8
209.08037	2.1
215.07095	0.7
225.05376	0.8
229.95314	0.5
232.26810	0.6
235.06116	1.3
239.21355	0.5
253.03229	1.5
253.07042	2.5
255.10071	1.2
256.07153	0.7
271.05466	3.0
271.08206	4.0
271.10501	1.1
271.26407	1.2
272.13028	1.2
273.62610	0.6
277.77533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73162	0.4
53.03943	0.4
55.01876	2.2
55.02096	0.7
55.05492	2.4
57.07070	5.4
67.05502	3.4
69.03423	0.5
69.07063	3.2
69.56299	0.7
69.56707	3.6
70.02944	3.0
70.06583	6.4
71.08620	6.9
72.04496	0.6
72.08133	0.6
74.23760	0.4
79.05462	1.5
80.05012	2.6
81.07041	5.1
82.06577	2.3
83.08591	1.7
85.10172	3.4
88.07593	0.6
93.05750	0.6
93.07018	0.8
94.06557	3.6
95.08598	4.6
96.04475	1.0
98.06039	8.5
105.03358	2.0
105.07005	2.3
107.07328	0.5
108.08091	2.5
109.10112	0.9
110.06001	0.5
112.07576	0.6
116.07084	6.0
124.07549	0.6
126.09133	1.0
153.12669	0.7
154.08644	1.0
155.14302	2.2
206.19000	13.0
224.20061	42.5
252.19685	0.5
252.22163	1.2
270.20609	100.0
270.31387	1.0
271.20856	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05495	1.7
56.05023	0.9
57.07058	3.0
60.04500	0.9
61.35367	0.8
67.05482	3.0
69.07053	2.2
70.06573	2.6
70.41341	4.1
72.04512	2.1
73.45887	0.9
74.06068	1.9
79.05466	1.3
80.05002	1.7
81.03383	0.9
81.07042	3.9
82.06573	1.2
83.04971	1.0
86.33043	0.8
88.07624	14.6
90.90990	0.9
91.05479	1.5
91.54034	0.9
93.07029	1.8
94.06559	0.9
95.04917	1.1
95.08601	3.3
96.04474	1.0
98.06023	3.4
98.09677	0.9
105.03373	5.5
105.06990	1.9
108.08082	2.0
116.07078	2.7
117.01357	1.0
117.06948	0.9
119.08565	1.2
124.07583	1.6
126.09142	2.0
128.07051	7.5
151.03818	1.3
154.08592	7.6
234.18591	1.0
252.19589	11.5
270.20609	100.0
270.27838	12.3
271.20914	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0597
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.78757	0.1
55.05493	0.4
67.01865	1.1
67.05486	0.6
68.99783	0.9
69.03407	0.2
69.07038	0.5
70.51295	0.6
71.04965	0.2
72.25121	0.1
79.05478	0.3
80.14616	0.2
80.38631	0.1
81.03388	0.2
81.07040	1.0
85.02876	0.2
85.06535	0.2
91.05460	1.3
93.07028	0.2
95.04951	0.2
95.08579	0.9
97.06483	0.2
97.10146	0.2
98.21410	0.3
99.04442	0.4
105.03381	1.1
105.06983	0.3
106.03703	0.2
107.04948	0.2
107.08521	0.2
109.02859	0.7
109.06533	0.2
109.10128	0.3
113.09651	0.2
119.04924	4.6
119.08580	0.3
120.08071	0.2
121.02850	2.3
121.10129	0.2
125.02293	0.2
125.09557	0.2
127.03857	0.7
133.10036	0.2
134.03584	0.2
141.06995	0.2
145.02824	1.4
151.03905	1.1
152.04227	0.9
153.01804	9.0
161.13243	0.2
163.03870	0.8
165.07013	0.2
169.06432	0.2
169.08798	0.2
171.02863	1.3
173.05917	0.3
183.10478	0.2
187.03897	0.4
197.05940	0.2
198.12711	0.2
203.06938	0.3
211.03831	0.2
225.05482	0.5
226.12218	0.5
227.11868	0.3
229.04953	0.6
240.10042	0.2
243.06404	0.7
243.14879	0.4
247.05946	0.2
253.04958	0.2
255.11243	0.2
271.05963	100.0
272.06351	1.5
292.94556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.112
Annotation	Uguenenonamide
Peak:m/z	Relative Intensity
50.01582	0.3
51.02372	0.5
53.03703	0.3
53.03941	3.2
55.01841	0.2
55.03351	0.2
69.62119	1.4
69.62541	0.6
76.07751	0.2
77.03925	0.8
81.03414	0.3
90.15592	0.2
95.04955	7.0
97.20262	0.2
104.04983	0.9
105.03381	100.0
106.03727	0.9
107.04936	5.4
134.05975	0.9
135.04402	2.2
138.00891	0.2
157.73994	0.2
162.09816	0.2
167.07065	1.2
217.47632	0.2
220.07576	0.3
227.10641	0.3
238.08617	1.3
270.11212	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	270.112
Annotation	Uguenenonamide
Peak:m/z	Relative Intensity
51.02370	0.4
53.03936	3.0
55.01858	0.3
70.51665	0.5
70.52054	0.4
77.03908	0.9
81.03377	0.4
89.82649	0.2
95.04380	0.4
95.04951	6.3
104.04971	0.7
105.03371	100.0
106.03692	1.5
107.04929	4.7
121.02883	0.3
134.05962	0.8
135.04379	2.4
165.12061	0.2
167.07036	0.9
206.11761	0.2
210.09097	0.3
220.07544	0.2
238.04926	0.4
238.08553	1.3
270.11209	11.9
271.05798	0.3
271.11658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.2
55.01851	0.4
55.05501	0.2
55.08546	0.2
57.03423	0.2
57.96461	0.2
65.03925	0.7
66.22222	0.2
67.05491	1.0
69.03418	0.2
70.31711	0.9
71.04963	0.3
75.95972	0.2
78.85623	0.2
79.85692	0.2
81.03406	0.3
81.07039	0.3
84.46662	0.2
85.02866	0.2
91.05444	0.3
93.06964	0.2
95.04962	1.1
95.08586	0.3
98.86729	0.2
99.04415	1.0
103.05441	0.2
105.03384	1.2
105.07027	0.5
108.02057	1.4
109.02879	0.7
109.42358	0.2
111.04433	0.6
112.01577	0.2
118.73019	0.2
119.04926	0.8
120.08105	0.9
121.02843	0.6
123.04436	0.3
127.03872	0.3
128.44090	0.2
136.01529	0.4
141.05441	3.2
145.02829	0.2
151.03876	100.0
151.04926	5.6
152.04214	1.1
153.01778	2.0
171.02805	0.3
194.09285	0.2
200.11147	0.2
226.90919	0.2
230.65909	0.2
235.16885	0.3
270.11218	8.0
270.18515	0.3
271.05954	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	270.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
65.03928	3.1
67.05486	0.3
69.03415	0.2
71.79069	0.3
73.31168	0.2
77.32603	0.2
79.05486	0.3
81.07038	0.6
85.02872	0.2
95.04974	0.5
95.08617	0.2
95.48562	0.2
96.35564	0.2
101.50897	0.2
105.03371	3.9
105.07017	0.3
109.02848	0.5
111.04428	3.1
121.02849	100.0
122.03181	0.9
137.18297	0.2
151.03876	3.5
151.05003	0.3
235.16905	0.3
239.58707	0.2
245.31328	0.3
270.07703	0.6
270.11316	0.8
270.24817	0.3
270.27875	0.6
271.05981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9821
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32870	2.0
94.92957	1.3
107.21474	1.0
112.89569	3.3
114.89329	1.6
116.89137	2.8
130.65286	1.2
136.93970	3.5
138.05472	4.5
139.05846	1.8
152.05533	1.2
162.95566	2.9
222.97626	1.6
250.97174	1.7
268.98203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0757
Annotation	Evoxanthidine
Peak:m/z	Relative Intensity
53.03944	0.5
55.01859	0.4
57.19351	0.2
57.22298	0.2
67.05486	0.2
68.99782	0.3
69.68699	1.5
71.01361	0.2
81.03405	1.8
81.07023	0.4
91.05489	0.2
93.07011	0.2
95.08562	0.3
98.20590	0.3
98.30708	0.2
105.03357	1.0
105.06992	0.2
107.04935	6.3
109.02875	1.1
110.19252	0.2
119.12917	0.2
121.02850	2.2
123.04422	0.4
127.03890	1.7
130.02853	0.4
132.04466	0.8
132.81190	0.2
135.04384	0.5
137.02322	42.2
137.03397	2.5
138.02606	0.3
141.06979	0.4
145.28816	0.2
148.03958	0.2
152.06227	0.2
153.06999	0.9
167.07256	0.2
168.08060	0.3
169.06456	0.6
171.07915	0.3
176.03400	0.4
178.06537	0.5
181.06456	1.7
191.38333	0.2
196.07556	5.9
197.05939	1.1
199.07559	1.1
206.05995	3.5
209.05981	0.2
215.06979	0.4
216.18181	0.2
224.04831	0.3
224.07021	6.7
225.05405	0.7
227.06990	0.7
234.05455	1.6
242.08052	0.3
252.06529	11.0
253.04868	0.6
268.58929	0.2
270.07559	100.0
271.07950	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05493	0.8
57.07060	3.5
66.72192	0.5
67.05492	1.9
68.05009	0.7
69.07047	1.5
70.06570	0.8
71.03239	1.2
71.04955	0.5
71.08627	2.4
72.04515	2.2
77.70177	0.3
79.05505	2.0
79.05869	0.4
80.05007	1.1
81.07034	1.8
85.10161	1.5
86.06021	0.6
88.88908	0.4
91.05435	0.6
93.07027	0.5
94.06562	1.0
95.08584	2.1
96.04472	0.7
96.08120	5.3
98.06016	0.9
100.45893	0.5
106.06538	8.9
109.10179	0.5
114.05527	0.8
118.06491	0.5
120.08089	2.1
122.05912	0.5
124.07557	0.6
134.09637	0.7
136.06171	3.5
136.07518	0.6
137.08377	0.5
140.25659	0.5
141.02174	0.4
160.40352	0.4
164.95393	0.5
191.08577	2.4
197.15395	0.5
219.08035	2.4
232.20584	3.6
236.08401	0.4
241.96063	0.5
250.21628	100.0
251.10707	2.8
251.22023	3.8
268.13300	0.5
268.18823	0.5
268.22684	1.3
268.26303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2266
Annotation	Allopumiliotoxin 267A
Peak:m/z	Relative Intensity
53.03946	1.2
55.01871	1.3
55.05502	4.9
57.03434	1.9
57.07068	21.6
57.07341	1.3
57.33475	0.6
67.05495	8.6
68.05022	1.3
69.03408	1.0
69.07057	5.9
70.06579	20.8
70.58131	2.7
71.05019	1.0
71.08617	28.5
72.08147	6.4
76.27141	0.7
79.05481	9.0
81.03426	3.2
81.05819	0.7
81.07043	18.4
82.03745	1.3
82.06579	1.6
82.07383	0.7
83.05013	1.1
83.08616	2.3
85.06559	1.6
85.10168	15.8
85.10664	1.1
89.06020	0.9
91.05466	3.8
92.05811	0.9
93.07033	4.7
94.06553	1.6
95.04973	2.3
95.08595	17.9
95.09184	1.1
96.04496	1.6
96.08117	18.6
97.06488	5.0
97.10140	1.1
98.06057	4.1
98.09660	4.2
104.38680	0.7
105.03395	0.9
105.07037	2.3
106.06562	0.9
107.04931	3.5
107.08592	3.0
107.49187	0.7
109.06504	0.8
109.10164	2.4
110.06074	0.8
111.08080	1.7
114.09163	2.5
117.06976	1.0
118.02257	0.8
119.08598	0.8
120.08128	0.8
121.06534	1.8
121.10148	1.4
123.08014	0.9
124.07571	16.5
125.05978	2.0
131.08574	0.8
133.10156	0.9
135.07997	0.9
136.06168	7.5
137.13226	2.3
148.16165	0.6
148.55884	0.6
149.13333	1.0
154.55750	0.8
155.14288	9.6
191.08521	5.7
191.84322	0.6
194.12685	1.3
204.17360	1.0
219.07983	4.9
221.19034	1.0
222.18513	4.3
223.20692	1.7
239.19955	1.5
250.21628	100.0
251.10651	5.8
251.19829	5.2
251.22107	3.0
252.23152	5.0
268.16296	4.3
268.19208	6.2
268.22662	79.7
269.22968	3.6
269.25827	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	268.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53396	0.6
54.03447	1.4
55.05488	2.1
56.05015	2.8
57.07060	1.7
62.49009	0.7
65.03915	0.9
66.36616	0.7
67.04247	0.9
67.05479	1.9
69.03385	0.7
69.07055	1.9
69.54263	0.6
69.72910	2.3
69.73336	3.2
71.08601	2.2
78.30822	0.6
79.05470	2.9
80.05004	1.2
81.07040	2.9
81.91959	0.6
82.06563	16.8
83.04950	1.1
84.03979	1.4
84.04489	28.5
85.02952	0.7
85.10191	0.9
91.05450	1.5
93.07051	3.6
94.06550	1.5
95.08578	2.4
96.08127	1.7
98.21373	1.4
98.98450	1.6
100.03967	1.3
100.11223	0.8
105.07012	1.1
106.06462	0.7
107.08570	1.9
109.05211	1.0
110.06023	24.8
110.09646	0.8
111.06817	1.8
117.07012	1.0
121.06434	0.8
121.10101	0.8
124.07558	2.0
131.08511	1.8
133.08820	1.2
134.09639	0.7
136.06136	5.6
147.11691	0.9
180.17441	2.2
190.15886	2.8
191.14238	1.0
191.79761	0.7
208.16963	7.7
219.08090	1.0
226.17978	100.0
227.16365	5.0
227.18353	1.8
250.18127	1.0
251.10699	1.3
266.76682	0.7
268.16278	1.0
268.18805	4.0
285.19919	0.9
289.89075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.4
53.44318	1.1
55.01871	1.5
55.05504	7.4
56.05021	3.5
57.03412	1.6
57.07067	3.6
65.03926	2.1
67.04248	1.1
67.05492	4.6
68.38302	0.9
69.07050	3.3
70.57664	3.8
71.04982	0.9
71.08617	3.8
72.04501	1.2
74.70948	0.9
79.05468	6.4
80.04976	1.7
81.03388	1.6
81.07042	5.6
82.06566	16.2
83.01318	1.1
83.04968	12.0
83.08611	1.7
84.04491	27.1
85.02880	3.4
85.10152	1.5
91.05475	2.7
93.07016	5.6
94.06529	1.0
95.04933	1.5
95.08571	4.6
96.08128	1.5
97.06501	1.7
101.02399	1.2
105.06994	2.5
107.08581	3.0
109.05219	1.0
109.06492	1.4
109.10148	1.0
110.05306	1.9
110.06024	22.2
111.04406	3.1
111.06806	1.4
114.05500	1.4
117.07010	2.0
119.08595	1.5
121.06487	1.2
121.10103	2.4
131.08557	3.8
133.08849	1.5
136.06174	5.9
147.11702	1.5
173.13202	2.0
180.17412	2.5
190.15849	2.2
191.08588	2.3
191.14305	1.2
202.67336	0.9
208.16899	6.8
219.07970	1.5
226.17982	100.0
227.16379	29.5
227.18291	1.9
247.91023	0.9
250.18106	1.1
251.10733	2.2
263.60379	1.0
268.16214	1.5
268.19028	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1539
Annotation	Codonopsine
Peak:m/z	Relative Intensity
60.73779	0.4
70.23814	1.8
79.87618	0.3
84.08135	3.0
101.79475	0.3
105.07001	0.4
107.04912	0.3
124.03927	1.5
128.06273	0.5
136.06161	2.1
143.08546	2.0
147.04314	0.4
147.05734	0.4
148.05138	0.5
149.05931	0.7
159.08032	1.1
160.05183	1.4
160.11177	0.9
161.05977	2.1
162.05457	0.4
163.07513	0.4
164.07028	2.9
171.08028	1.7
174.06667	0.7
176.07033	0.8
177.07819	22.9
177.08942	0.8
178.08363	0.5
188.10658	1.6
189.09042	1.9
204.10120	0.6
206.11736	100.0
207.12148	1.6
250.14354	17.5
268.15405	39.2
269.12564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1036
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.20945	0.2
55.01855	0.3
57.03413	0.6
69.89807	1.1
71.01328	0.2
73.02897	0.4
74.78960	0.2
85.02886	0.4
119.03522	0.7
136.06161	100.0
137.04579	0.3
137.06631	1.0
206.11847	0.5
265.95328	0.2
268.10376	7.8
269.10550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05417	0.6
69.69192	4.0
69.69615	1.8
98.21410	1.3
104.76163	0.8
165.06987	2.3
179.08537	1.4
180.09306	2.1
189.06992	2.8
190.07753	10.4
191.08528	97.7
192.08919	2.5
205.10178	3.3
207.08022	1.1
208.08835	4.9
218.07211	2.4
219.08017	76.6
220.08755	10.2
236.08282	16.3
251.10638	100.0
252.10945	1.9
268.13306	14.9
268.16003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01860	1.0
57.03421	2.6
61.02929	4.4
66.71233	0.6
67.05501	1.1
68.05833	0.8
69.03416	5.9
71.04978	17.7
71.79529	1.2
73.02908	1.7
76.49758	0.6
81.03402	2.1
84.08121	3.4
85.02891	33.1
87.04482	0.9
89.06015	100.0
91.03956	1.4
94.06551	1.4
95.06850	1.4
97.02878	5.6
99.04438	1.3
109.02841	1.5
110.07185	0.9
116.01375	0.8
119.98797	0.7
120.04434	1.6
121.06496	2.4
122.05994	1.6
123.06474	0.7
124.03941	1.7
127.03874	5.3
136.06160	93.5
137.05797	0.7
138.05467	5.5
145.04921	10.4
150.05481	9.1
151.05838	15.4
152.05798	1.4
161.05998	1.6
163.03838	1.2
163.06009	2.1
164.07031	1.4
177.07817	9.0
177.09189	0.9
181.49280	0.7
188.10664	0.9
206.11731	46.6
222.07813	0.9
222.11081	0.8
250.07047	0.8
250.10596	1.6
250.14340	8.1
251.10890	0.8
262.93735	0.8
268.07831	4.3
268.10342	8.3
268.15384	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0965
Annotation	PD 98059
Peak:m/z	Relative Intensity
53.17983	0.3
67.05491	0.4
69.80753	0.8
69.81170	1.5
81.03406	0.5
107.08582	0.3
121.02802	0.7
136.06190	2.3
152.06194	3.6
155.04951	0.6
165.06976	46.2
166.07393	1.7
167.04907	0.3
167.08530	6.4
168.08884	0.4
172.37041	0.3
177.06876	0.5
177.31802	0.3
180.05673	1.3
180.08084	0.4
182.07216	0.4
187.82507	0.4
191.04897	1.4
191.08548	3.5
193.06465	100.0
194.06830	3.2
195.08034	2.2
208.05177	1.4
209.05971	0.7
210.06729	0.6
219.04376	0.9
219.08012	3.5
223.07648	0.4
225.09183	4.1
236.04828	1.5
236.06760	0.6
250.08894	0.4
251.07001	40.4
251.10596	3.8
252.07391	1.6
253.07408	1.2
254.05716	0.5
268.09647	67.9
269.10083	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1035
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.12908	0.2
55.01863	0.3
57.03415	0.6
57.03676	0.2
61.54600	0.2
69.03416	0.2
69.98954	1.0
71.01342	0.2
73.02905	0.3
85.02881	0.6
88.14656	0.2
94.04047	0.3
98.20757	0.3
119.03549	0.5
134.96069	0.4
136.06161	100.0
137.04576	0.3
137.06584	1.1
138.05498	0.3
161.05815	0.2
164.93538	0.5
177.07904	1.1
178.95122	0.2
206.11745	4.6
214.49913	0.2
249.03140	0.2
250.14323	0.9
268.10373	9.1
268.15048	1.6
268.94604	1.5
268.97839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1949
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
51.02379	0.9
53.03699	1.2
53.03935	12.1
55.01865	1.9
55.05497	7.3
57.03419	11.7
57.06784	1.7
57.07064	34.1
60.00759	0.9
67.05491	17.1
69.07053	16.2
70.04531	4.7
71.04979	2.7
71.08615	47.1
72.11015	1.1
79.05476	12.6
81.03401	100.0
81.07042	25.4
82.03734	1.4
83.04987	5.1
83.08601	12.3
85.06546	1.5
85.10168	17.9
87.08137	1.1
91.05459	18.6
93.07021	8.4
95.04956	17.3
95.08582	27.8
97.02885	1.2
97.06516	6.6
97.10139	2.1
98.98458	4.1
105.07008	9.6
107.04951	4.1
107.08570	7.0
109.02850	2.9
109.06512	6.4
109.10140	3.0
111.04423	1.8
111.08045	4.8
111.63474	1.0
115.05438	1.0
118.45490	0.9
118.91589	1.1
119.08548	10.6
121.06472	3.2
121.10122	3.6
123.04424	11.6
123.08042	2.3
123.11711	0.9
129.06985	3.9
131.08556	4.7
133.06470	1.8
133.10121	3.3
135.11671	17.3
136.06160	1.2
137.05942	2.9
137.09506	1.0
137.13226	3.0
142.07753	1.4
145.10124	1.7
147.08041	2.7
147.11635	5.9
149.09619	2.7
153.12683	6.2
155.14270	19.2
157.10056	5.8
175.11081	4.7
187.56216	0.9
189.16339	1.6
191.08435	1.7
193.12202	12.7
207.17400	15.5
211.13359	1.7
235.16876	22.0
237.18509	5.5
249.14746	1.0
251.10641	1.2
253.17839	1.1
267.15891	38.7
267.19489	10.0
268.16208	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1584
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03928	3.1
55.01865	2.4
55.05497	7.6
57.03426	22.2
57.07052	1.2
67.05492	18.2
69.03416	2.1
69.07065	5.9
71.04979	3.0
71.05589	0.8
78.42129	0.6
79.05481	15.0
79.36478	0.7
81.03403	100.0
81.07040	21.9
83.04965	8.7
83.08607	15.0
85.02858	1.1
85.06525	1.3
89.21956	0.8
91.05462	25.5
93.07027	14.3
95.04380	1.5
95.04955	22.4
95.05566	1.1
95.08590	8.8
97.02866	1.4
97.06503	3.4
97.10152	2.4
98.20650	1.8
99.08098	1.4
105.03348	0.7
105.07007	18.7
107.04924	6.0
107.08581	3.9
109.06491	3.5
109.10117	1.7
111.04401	2.3
111.08057	6.3
113.05981	1.0
115.05429	1.5
117.06979	2.3
119.08566	14.9
121.06470	2.4
121.10128	5.4
123.08051	2.6
123.11696	1.4
125.09547	1.5
129.06985	9.3
131.08537	9.1
133.06442	3.9
133.10106	8.0
137.06021	1.0
137.09618	2.6
140.36813	0.7
142.07755	3.0
145.10081	1.7
147.08028	3.4
147.11656	10.8
149.05917	0.8
149.09578	4.2
151.07521	0.8
157.10094	11.7
163.11165	2.3
165.12697	2.7
175.11171	11.3
193.12202	23.1
211.13216	3.8
219.08105	0.9
223.13148	1.1
231.13670	0.9
249.14803	2.9
267.15860	80.7
285.10068	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	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.06714	0.7
53.03942	2.8
55.01863	2.4
55.05510	6.9
57.03429	17.7
57.07064	0.9
57.28753	0.6
58.16965	0.6
67.05495	11.2
69.03413	2.1
69.07055	3.1
70.65039	2.3
71.04995	1.2
74.94323	0.6
79.05487	12.9
81.03408	100.0
81.07050	12.2
83.04965	4.8
83.08608	13.3
83.09066	1.1
85.02916	0.7
85.06536	1.2
91.05467	15.8
93.07032	7.8
95.04959	20.3
95.08576	4.7
97.02876	2.3
97.06552	1.5
97.10165	2.5
97.40410	0.6
99.08088	0.9
105.03378	1.1
105.06319	1.1
105.07010	12.3
107.04942	5.2
107.08577	3.8
109.06492	3.4
109.10147	2.5
111.04443	1.9
111.08064	6.3
115.05453	1.5
117.03036	0.6
117.07005	1.1
119.04900	0.8
119.08573	12.2
121.06509	1.7
121.10120	4.9
123.08064	1.0
123.11726	1.1
125.09610	0.6
129.06995	7.6
131.08548	7.2
133.06451	3.2
133.10091	4.7
137.09598	1.7
141.06961	0.6
142.07700	1.6
145.10107	1.0
147.08067	2.7
147.11658	7.7
148.84883	0.7
149.09581	3.6
157.10123	9.1
163.11238	0.8
165.12747	1.4
170.41739	0.6
175.11154	10.9
188.28296	0.5
193.12224	22.1
205.12250	0.8
206.11113	0.6
211.13242	3.2
219.08141	0.6
237.14893	1.0
249.14880	2.0
267.15884	71.9
268.16061	0.8
285.10037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1585
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03921	2.8
55.01843	2.3
55.05505	6.0
57.03424	20.4
57.07038	0.9
67.05495	10.7
69.03414	2.1
69.07047	1.6
69.57489	4.4
69.57913	3.2
71.04988	1.1
78.57420	0.7
79.05470	10.5
81.03403	100.0
81.07042	10.7
83.04973	4.1
83.08150	1.3
83.08605	16.1
83.09075	0.6
91.05462	16.5
93.07036	7.3
95.04375	1.5
95.04948	20.4
95.08595	4.5
97.02852	2.3
97.06487	1.4
97.10143	1.6
98.98440	2.7
105.07014	14.6
107.04939	4.7
107.08559	3.0
109.06495	2.8
109.10104	1.0
111.08060	6.4
113.06057	0.8
117.07000	1.2
119.08537	10.4
121.06483	1.6
121.10123	4.5
123.08054	1.4
129.06990	9.7
131.08551	8.0
133.06454	3.2
133.10100	3.5
137.09558	1.7
142.07774	2.2
145.10034	1.0
147.08014	2.6
147.11646	6.4
149.09616	4.1
157.10123	9.2
175.11174	9.5
192.45284	0.8
193.12215	21.3
194.11075	0.9
202.23480	0.9
211.13193	3.5
224.08063	1.0
249.14827	1.2
252.05876	0.9
254.43280	0.8
267.15860	77.7
268.16348	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03937	4.2
55.01857	1.5
55.05495	6.3
57.03429	17.3
57.07055	1.2
57.27028	0.6
65.03926	0.9
67.05499	10.4
69.03415	2.9
69.07064	3.1
69.63698	7.5
71.04983	1.9
71.08607	1.0
72.66555	0.7
78.13536	0.6
79.05478	11.1
81.03404	100.0
81.06583	1.3
81.07043	10.8
83.04966	5.3
83.08607	13.9
83.09065	1.2
85.02888	1.2
91.05467	15.6
93.07033	8.5
95.04951	20.2
95.08591	5.7
97.02886	2.2
97.06506	1.5
97.10154	2.0
98.98460	5.3
103.41595	0.7
105.07021	12.3
107.04931	5.1
107.08589	3.2
109.06511	4.0
109.10156	2.2
111.04430	1.4
111.08069	7.2
115.05453	1.3
115.67895	0.8
117.06997	1.0
119.08572	10.9
121.06484	1.8
121.10084	4.1
123.08060	1.1
125.05917	0.9
125.09600	0.9
129.06990	7.7
131.08528	6.7
133.06468	2.1
133.10107	2.7
136.06152	1.6
137.09625	1.1
137.88629	0.7
142.07762	2.3
145.10030	0.9
147.08023	3.1
147.11681	6.8
149.09590	5.4
157.10127	9.5
163.11139	1.0
165.12740	2.4
170.34834	0.8
175.11165	9.6
175.12616	1.1
193.12216	24.6
211.13271	3.3
249.14890	1.1
252.06027	0.9
267.15872	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2111
Annotation	Deacetyllycoclavine
Peak:m/z	Relative Intensity
51.26822	1.4
51.48916	1.2
57.07070	30.4
62.16504	1.3
67.05498	9.2
69.07039	4.0
71.08622	39.7
78.17717	1.3
79.05467	2.7
81.03410	4.0
81.07047	23.4
83.08587	2.0
85.10169	21.7
85.35081	1.7
91.05450	1.7
92.18038	1.3
93.07030	1.6
94.06526	2.8
95.04987	1.3
95.08591	24.1
99.09843	1.2
99.52907	1.2
103.06131	1.5
112.07582	5.5
137.13219	4.8
155.14310	19.1
156.06569	1.4
195.06728	2.0
217.06415	3.1
251.05721	16.3
266.08078	19.7
266.21124	100.0
266.24231	4.3
267.08521	1.8
267.15952	3.2
267.21265	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	267.1585
Annotation	Alliacolide
Peak:m/z	Relative Intensity
52.03634	0.8
53.03925	3.4
54.63422	0.8
55.01851	1.4
55.05312	0.6
55.05499	6.1
57.03154	1.0
57.03427	18.9
57.07051	2.4
58.55560	0.7
60.67004	0.8
66.53101	0.8
67.05489	11.6
69.03394	2.8
69.07056	3.7
69.51236	4.9
69.51658	3.0
71.04959	1.9
71.08594	1.4
77.50918	0.8
79.05479	13.0
81.03403	100.0
81.07040	14.6
83.04965	5.5
83.08154	1.4
83.08604	15.9
84.08125	0.9
91.05467	18.0
93.07030	6.7
95.04953	23.3
95.08593	5.9
97.02862	2.0
97.06533	2.3
97.10155	1.7
98.09676	1.6
98.20725	1.7
98.98448	4.8
105.07008	13.5
107.04929	4.7
107.08546	2.8
109.06495	2.9
109.10125	1.9
111.04436	1.5
111.08076	6.8
115.05408	1.9
117.06969	1.8
119.08566	9.3
121.06472	1.7
121.10134	4.1
123.08059	1.6
129.06995	8.6
131.08545	7.1
133.06427	2.2
133.10124	3.8
136.06128	1.6
137.09581	1.1
142.07747	2.1
145.10127	0.9
147.08020	2.9
147.11673	7.9
148.71877	0.8
149.09604	4.0
157.10127	8.3
165.12701	2.1
175.11163	10.7
187.68188	0.8
193.12198	24.5
205.12236	0.9
211.13255	3.3
212.54932	0.9
213.12653	1.0
249.14844	2.0
267.15875	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	9.3
69.03408	2.3
69.44717	9.1
69.45129	3.3
71.04958	2.8
71.08617	3.6
79.05479	2.4
81.03378	3.4
81.07040	19.5
83.04970	4.1
83.08595	6.4
85.06505	3.1
87.00813	83.9
90.56896	1.1
98.21396	1.9
99.08073	9.7
101.05997	1.4
105.01848	66.8
109.02854	11.4
109.06501	14.4
117.09106	5.0
127.07535	25.4
128.88284	1.3
137.86949	1.1
145.08604	7.2
145.09541	1.1
185.08086	1.6
203.09056	7.2
231.08600	100.0
232.08936	2.3
248.12860	1.1
266.08911	3.2
270.86520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0806
Annotation	Norgraveoline
Peak:m/z	Relative Intensity
63.41662	0.2
70.23611	0.4
70.24007	0.6
88.50288	0.2
98.71399	0.2
126.92959	0.2
127.60611	0.2
139.05400	0.3
143.07259	0.3
150.14403	0.2
152.06233	0.2
167.07271	8.1
168.05656	1.2
168.06966	0.2
170.05988	0.2
171.06789	1.3
174.19868	0.2
182.05959	0.8
194.05997	0.6
195.06757	11.7
196.05122	0.9
196.07304	0.6
198.05501	0.9
199.06287	1.2
210.05449	0.9
210.09018	0.3
212.21472	0.2
222.05466	0.3
223.06242	3.1
224.58850	0.2
251.05722	100.0
252.06090	2.2
266.08063	96.5
267.08453	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0808
Annotation	Norgraveoline
Peak:m/z	Relative Intensity
70.06603	0.2
71.58308	0.3
81.03412	0.4
83.22960	0.2
84.94865	0.2
102.05542	0.2
106.50613	0.2
109.02866	1.7
118.12154	0.2
120.08045	0.2
148.75929	0.3
167.07277	3.8
168.05679	0.9
171.06781	0.7
182.05983	0.3
189.06979	1.1
194.06023	0.4
195.06760	6.9
196.05179	0.6
198.05515	0.5
199.06245	0.7
206.05876	1.2
210.05495	0.5
217.06499	1.9
222.05414	0.4
223.06230	2.3
234.05559	0.3
238.08917	0.7
249.09076	0.7
251.05750	59.8
252.06038	1.3
266.08084	100.0
267.08469	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	266.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
55.05501	7.7
57.03420	1.8
57.07045	1.3
67.76431	1.2
69.03420	1.7
69.50667	9.7
69.51089	4.2
70.06572	2.1
71.04983	2.3
71.08602	2.7
79.05470	2.5
81.03406	3.5
81.07047	15.9
83.04958	3.8
83.08595	5.7
85.06509	3.9
87.00816	82.4
93.43292	1.2
96.63009	1.3
98.20733	3.0
99.08093	8.6
99.08655	1.9
101.05999	1.6
105.01851	66.3
109.02855	10.6
109.06500	14.0
117.09129	4.4
127.07523	28.5
145.08585	10.8
203.09096	6.0
231.08601	100.0
232.08951	2.2
248.12840	2.4
266.08871	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	266.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38403	0.2
51.83035	0.2
51.85926	0.1
54.12707	0.2
55.97982	0.2
71.71906	0.4
82.99392	0.1
82.99818	0.2
90.35476	0.2
101.00858	1.8
119.01901	9.5
120.01939	0.2
134.99825	0.7
137.02943	2.8
142.03401	0.3
144.17232	0.2
153.00899	0.5
158.99886	0.7
164.00386	0.3
165.99654	0.3
169.69579	0.2
173.02884	0.3
175.03073	0.2
177.00917	18.7
178.01001	0.5
179.94856	0.2
182.99867	0.5
183.01411	0.2
193.04034	0.4
195.01900	0.4
200.02527	0.3
201.00813	1.1
201.02502	1.3
217.04050	3.1
219.01956	24.5
219.94514	1.0
220.02077	1.6
220.37257	0.2
220.94183	0.3
221.02061	0.2
222.74515	0.2
225.00803	2.1
237.95441	0.6
242.03490	0.5
242.96135	1.4
243.01868	7.9
244.02191	0.3
245.43240	0.3
248.02490	0.3
261.03012	100.0
262.03159	2.8
263.03445	0.4
266.00601	0.3
266.03531	1.0
284.04620	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	265.143
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
51.66311	4.1
51.66573	3.4
55.01871	5.0
55.05489	5.0
56.96555	6.4
57.03419	10.8
67.05509	8.3
68.99772	5.3
69.03410	24.2
69.07049	4.7
70.06558	4.9
71.04954	5.2
71.81911	8.1
72.08149	6.8
79.05477	12.4
81.03413	18.4
81.07031	14.9
83.04966	43.2
85.02893	5.0
85.06544	4.7
87.04470	6.8
91.05452	23.3
93.07030	28.4
94.11814	4.5
95.04947	17.7
95.08607	7.0
97.02872	13.3
97.06519	8.7
105.06984	23.4
107.08574	33.8
109.02855	42.0
109.06485	20.7
109.10151	8.5
111.04441	20.1
113.05997	10.1
117.06992	17.8
118.47735	5.0
119.08571	29.6
121.02853	11.7
121.06497	41.0
121.10112	15.7
123.08036	17.5
125.05989	6.3
128.06119	4.3
129.07025	5.3
131.08527	21.0
133.10109	14.9
135.08037	70.9
137.05957	6.5
137.09641	5.6
143.08580	8.9
145.06438	15.3
145.10143	11.9
147.08020	4.6
149.05927	7.2
149.09579	24.9
153.09071	7.0
155.08571	5.7
157.10086	7.5
158.10840	10.0
159.08041	11.5
159.11642	23.7
161.09540	6.6
163.07509	40.4
163.11180	12.5
165.09103	7.1
172.08823	12.1
173.09630	14.3
173.13231	32.8
177.12698	4.9
182.78870	4.3
183.11655	7.1
185.13307	4.5
186.10332	13.2
187.11154	74.2
189.06979	5.4
191.07031	20.1
194.07268	9.0
201.12727	51.2
203.14349	4.7
205.06497	13.5
205.12216	18.9
209.08022	6.9
211.11171	11.8
217.06519	6.8
218.07307	4.8
219.13803	28.5
222.06749	9.9
229.12187	76.1
233.06006	9.8
234.10333	5.6
235.07469	11.8
237.09064	19.5
247.13275	100.0
250.09851	8.1
251.05711	31.9
265.08572	42.1
265.12119	15.9
265.14410	18.1
266.08008	55.6
287.05466	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1431
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.95895	3.1
53.03937	3.8
55.01855	6.0
55.05500	12.3
57.07054	5.0
65.03926	11.0
67.05485	23.1
69.03419	29.7
69.07051	10.4
70.37859	17.3
71.04987	8.5
79.05494	19.5
81.03413	4.5
81.07041	17.8
83.04966	12.8
86.09679	3.8
91.05469	39.2
93.03396	10.1
93.07034	35.2
95.04951	41.1
95.08593	26.2
97.02863	6.5
97.06524	10.6
99.04475	4.1
103.05447	4.7
105.07013	64.5
107.04935	7.4
107.08579	25.7
109.02863	4.8
109.06493	27.6
109.10149	12.4
111.04427	30.5
111.08090	13.6
113.05989	16.3
117.06989	15.9
119.08559	99.4
121.02863	19.4
121.06496	48.0
121.10135	15.7
123.04371	5.8
123.08048	23.1
128.06224	4.9
129.07024	14.7
130.07777	9.8
131.08542	50.2
133.06488	8.9
133.10037	17.8
135.08028	79.5
137.05992	4.6
137.09566	16.0
139.03903	21.7
139.07523	5.7
141.06921	4.4
142.07788	12.1
143.08554	14.1
144.09351	10.5
145.06479	12.4
145.10112	36.8
146.07256	6.9
147.04446	6.1
147.08011	52.6
147.09131	4.1
147.11678	14.2
149.06030	6.5
149.09598	14.9
151.07576	5.1
155.08566	9.8
156.09351	8.5
157.06534	5.2
157.10120	24.0
158.07272	20.6
158.10851	7.2
159.08008	35.1
159.11656	43.1
161.09602	37.1
161.10851	4.5
163.07574	7.7
165.09091	32.2
168.09312	7.6
169.10071	5.8
170.10887	4.4
171.08072	10.6
171.11708	10.5
172.08835	14.4
173.09598	23.5
173.13246	23.2
175.07509	66.7
175.11176	37.4
181.10074	4.4
183.11728	9.1
185.09613	7.1
186.10318	5.4
187.07480	5.0
187.11147	39.0
189.09073	18.2
189.12723	14.4
193.08600	34.3
193.10172	4.8
196.08850	7.7
199.11183	14.8
201.12732	32.9
203.10609	42.9
205.12212	13.2
207.10078	6.6
211.11154	25.7
217.12172	26.0
219.13802	15.6
229.12166	28.1
235.13281	13.5
247.10823	4.8
247.13194	54.8
248.12723	4.4
265.11624	6.6
265.14285	100.0
266.14505	5.1
267.01505	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1429
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03933	4.0
54.85631	3.2
55.01860	4.7
55.05497	11.8
56.24561	3.4
57.03435	4.4
65.03927	5.4
67.05481	24.4
69.03414	38.5
69.07069	4.3
71.04975	8.1
71.43195	7.6
79.05482	12.9
81.07044	19.7
83.04967	5.5
91.05453	38.4
93.03390	8.0
93.07024	39.3
95.04950	35.1
95.08587	19.6
97.06518	8.4
99.04430	8.7
105.07012	66.3
107.08573	20.0
109.02855	5.1
109.06489	30.8
109.10155	10.4
111.04418	29.7
111.08054	13.3
113.05997	16.7
115.05468	6.0
117.06994	14.0
119.08564	82.8
120.08073	4.4
121.02843	15.2
121.06471	49.8
121.10117	11.2
123.08044	27.0
125.06044	4.6
127.41045	3.8
129.06976	17.6
130.07793	6.2
131.08542	36.5
133.06447	7.8
133.10106	14.7
135.08022	78.1
137.05913	3.7
137.09602	16.3
139.03865	10.8
141.06935	8.8
142.07724	10.6
143.08513	10.3
144.09335	9.8
145.06471	16.3
145.10095	36.1
147.08015	44.1
147.11684	16.6
149.05992	5.4
149.09587	14.4
151.07567	6.7
155.08603	7.9
156.09370	3.6
157.06563	5.4
157.10068	29.1
158.07286	23.8
159.08028	42.3
159.11649	38.4
160.08833	5.6
161.09579	47.6
161.13127	5.6
163.07529	3.5
165.09084	33.5
168.09288	12.5
169.10295	4.0
171.08017	5.5
171.11684	11.4
172.08731	24.7
173.09592	20.6
173.13232	22.3
175.07524	81.6
175.08911	6.9
175.11115	31.5
177.12732	3.8
181.06519	4.2
183.11661	14.8
185.09610	11.0
185.13223	7.0
186.10425	4.4
187.11130	41.9
189.09134	12.1
189.12701	18.6
193.08607	19.2
193.10139	6.2
196.08856	10.6
199.11182	13.8
201.12708	39.8
203.10611	60.5
205.12410	8.1
211.11140	27.0
217.12212	28.6
219.13780	10.7
229.12129	36.9
235.13326	11.2
247.13246	78.9
265.08496	7.1
265.14349	100.0
278.55899	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1429
Annotation	Hydroxyanthecotulide
Peak:m/z	Relative Intensity
50.59071	1.6
53.03931	2.4
55.01859	2.9
55.05499	4.3
57.03431	1.6
57.07051	7.0
59.04981	4.9
60.12786	1.5
64.77962	1.4
65.03920	4.6
67.05486	6.9
68.99763	4.7
69.03428	9.0
69.07050	2.6
70.06551	2.4
71.04972	2.0
71.81337	2.1
71.81712	1.5
73.06573	1.6
79.05487	13.7
80.13481	1.5
81.03405	9.8
81.07037	6.6
83.04962	15.8
83.08607	4.4
85.02892	4.3
85.06490	1.8
91.05469	16.5
93.03372	2.2
93.07034	15.0
95.04956	7.4
95.08568	6.6
97.02879	3.6
97.06509	9.0
105.01065	1.6
105.07024	15.2
106.13622	1.4
107.04873	1.8
107.07878	3.2
107.08571	34.3
109.02860	30.8
109.06506	26.0
109.10121	5.9
110.07358	1.6
111.04416	7.8
111.08051	14.7
113.02346	2.0
113.05988	3.5
115.05429	3.8
117.07008	15.8
119.08566	28.7
120.08086	4.9
121.02850	5.2
121.06490	33.1
121.10101	9.8
123.04417	2.6
123.08051	3.6
123.94284	1.5
125.09609	7.6
129.06979	2.8
131.08548	6.8
133.06380	1.6
133.10036	3.3
135.08034	55.2
135.11682	7.1
137.05959	3.3
137.09634	3.7
139.03860	5.7
139.07521	2.3
143.08559	1.9
144.09305	1.7
145.06468	16.0
145.10115	6.2
146.07245	1.8
147.08047	8.6
149.05936	6.6
149.09608	2.8
151.07529	16.0
151.11183	1.8
153.09093	15.9
158.10898	2.7
159.07962	2.1
159.11688	13.6
161.01158	1.7
161.09552	5.8
163.07520	47.1
163.11215	5.0
165.06984	1.7
165.09082	4.2
167.07156	1.8
172.08752	4.3
173.05942	4.3
173.09563	1.8
173.13211	9.4
175.11169	2.9
177.06982	4.9
177.12682	8.9
179.08510	3.6
181.08578	31.9
185.13252	3.9
186.10483	2.9
187.11145	14.2
189.06935	5.2
189.09042	5.1
190.07765	3.9
191.06995	10.8
191.08566	5.2
191.14236	2.0
194.07237	10.0
201.12753	8.6
203.08643	2.0
205.06500	22.9
205.08438	4.1
205.12218	19.1
206.07057	3.5
207.08070	2.3
207.10136	3.1
209.08052	54.1
213.46146	2.2
217.06444	7.3
218.07239	1.9
219.07996	6.1
219.13782	6.5
221.06013	2.8
222.06725	12.1
223.06094	1.7
229.12198	9.0
233.05902	14.5
234.10384	6.9
235.07533	9.5
236.08301	2.3
237.09064	35.0
247.07527	1.9
247.13277	13.8
249.09062	3.1
250.06284	7.5
250.09824	11.4
251.05656	21.6
252.06442	1.9
265.08548	65.5
265.12009	13.5
265.14334	100.0
266.08084	30.7
266.14642	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.05495	0.5
57.07048	0.4
59.07281	0.3
63.92792	0.3
64.13625	0.3
67.05460	0.8
69.07041	1.0
69.65274	2.3
79.05508	0.6
81.03388	0.4
81.07042	1.0
83.04989	0.3
83.08578	0.5
85.06523	0.7
91.05474	0.4
93.07030	0.9
95.04956	2.3
95.08595	1.5
98.20733	0.7
100.39566	0.4
105.03378	21.7
105.04467	0.7
105.07037	0.8
107.08594	0.4
108.74882	0.3
109.10139	0.6
115.05434	0.5
117.07005	3.4
118.06491	0.6
119.08562	0.4
121.10123	0.4
122.06019	1.1
132.08017	0.4
135.08037	0.4
143.07291	2.0
144.08066	100.0
145.06480	0.8
145.08385	1.4
145.10173	0.4
147.11650	0.4
148.07558	0.6
149.09579	0.4
155.06018	0.5
214.79510	0.3
230.09599	0.7
233.08351	1.5
234.10284	0.4
235.07463	0.8
248.10672	3.6
250.09903	0.9
251.05769	3.2
265.08679	0.8
265.13425	4.9
265.17935	0.7
265.25125	0.5
266.08090	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	265.014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05820	11.0
70.32068	17.5
71.66140	10.7
71.66474	17.8
81.26269	11.3
85.02885	21.0
93.83048	10.4
97.02857	12.6
99.14249	13.3
104.94988	11.9
105.07060	14.3
107.08483	13.4
127.33450	12.2
145.01630	24.2
161.09627	13.5
163.02698	47.1
175.02722	28.7
186.04219	11.1
205.03667	20.8
265.01498	100.0
265.05899	21.5
265.11517	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	265.1218
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
57.96362	0.1
68.27769	0.1
70.42150	0.5
70.42565	0.3
75.04469	0.3
81.03387	0.2
103.58553	0.2
109.06556	0.2
121.02894	0.4
128.06206	0.5
152.06172	0.3
156.14629	0.2
163.05443	0.2
165.06947	1.1
166.07730	0.2
167.08577	0.2
177.06958	0.4
178.07732	3.1
179.08524	10.5
180.09021	0.3
189.06931	3.5
190.07748	4.8
191.08519	12.6
192.09230	1.0
193.06462	1.3
193.10103	1.9
194.07227	0.4
194.10858	0.5
195.08023	0.2
201.06990	0.2
202.07756	2.5
203.08522	7.6
204.09271	1.6
205.06491	1.9
205.10060	4.4
206.07257	1.4
206.10756	0.3
207.08020	12.6
208.08621	0.8
209.09424	0.2
214.07639	0.2
215.08527	1.0
217.06459	4.1
218.07234	8.0
219.08006	16.1
220.08662	1.4
221.06001	6.7
221.09543	8.0
221.11812	0.3
222.06755	1.2
222.10313	3.0
231.07919	1.4
232.08771	0.8
233.09573	7.5
234.10352	38.4
235.07494	47.9
235.10811	2.1
236.08212	8.3
237.09094	1.4
249.09062	4.0
250.09846	50.9
251.07097	0.3
251.10228	1.8
265.12183	100.0
265.74460	0.2
266.08197	0.3
266.12509	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	264.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21815	0.5
50.66860	0.4
53.03920	0.5
55.01865	2.7
55.05498	0.6
57.03426	0.7
59.34900	0.4
59.91555	0.4
60.74616	0.3
62.93106	0.4
65.39459	0.4
67.05488	1.9
69.03407	1.0
69.07057	11.1
69.84792	3.4
74.43021	0.4
79.05482	13.1
81.03455	0.4
81.07035	0.9
91.05469	11.7
95.04964	1.6
97.02873	1.4
97.06514	100.0
98.06878	0.4
105.03371	0.7
105.07015	0.6
107.04951	1.2
107.08600	0.7
109.06485	1.1
111.08022	0.4
112.20097	0.4
119.04932	8.4
123.04372	0.9
131.83083	0.5
133.06470	2.0
134.63321	0.4
135.04378	2.4
137.05957	64.6
145.06508	0.7
147.04393	5.7
149.05995	1.7
157.22273	0.4
161.09578	1.4
163.07510	1.0
172.07758	0.4
174.06851	0.6
177.09103	1.6
189.09087	12.2
203.10619	0.5
206.11823	0.6
215.10645	4.3
222.06714	0.4
232.13229	0.7
233.11693	50.3
235.13335	0.8
246.11348	0.4
247.13249	6.1
250.09914	0.5
258.66733	0.5
264.15915	65.0
265.08560	1.2
265.12225	1.0
265.16238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2364
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03935	2.6
55.01863	1.6
55.05497	14.4
57.03412	2.7
57.06829	1.1
57.07064	12.3
61.90176	1.1
65.03921	1.7
67.05490	82.2
69.07056	16.5
69.89410	6.3
71.04955	1.3
71.08614	7.8
73.06525	0.8
75.89024	0.9
79.05474	22.8
81.07037	100.0
83.04977	2.3
83.08603	15.8
85.06518	3.8
85.10157	3.2
91.05462	18.4
93.07025	22.6
95.04932	2.4
95.08588	89.5
97.06498	6.5
97.10139	7.3
98.20685	1.7
99.08073	5.7
102.33636	0.8
105.07004	15.0
107.08569	14.5
109.06516	2.3
109.10134	51.9
111.08035	4.1
111.11681	1.0
113.09605	2.8
115.29184	0.8
119.08573	11.9
121.10121	20.1
123.08031	2.8
123.11684	23.2
125.09580	1.3
127.11144	1.8
131.08517	1.1
133.10091	15.8
135.11668	9.9
137.09561	2.3
137.13214	8.9
141.12711	1.8
147.11658	13.9
149.13222	9.7
151.07629	1.0
151.11165	1.1
151.14796	7.3
155.14272	2.1
161.13216	13.7
163.14772	8.2
165.16357	10.3
175.14809	9.5
177.16408	2.3
179.17911	4.2
181.15807	1.1
186.88190	0.9
189.16333	3.7
193.15968	1.5
203.17932	2.0
217.15942	0.9
217.19640	2.2
219.20964	1.1
221.13316	1.4
245.22595	35.8
246.23032	1.2
263.05606	1.8
263.16299	2.8
263.23648	96.8
264.24066	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2364
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.97442	0.7
51.02359	1.1
53.03940	4.4
55.05489	1.3
57.07060	7.0
65.03924	1.1
65.70904	0.7
67.05489	7.4
69.07050	3.4
71.08617	8.7
71.82694	1.2
72.52747	0.6
75.84510	0.7
79.05466	2.3
81.07041	9.9
83.08596	1.8
85.10172	5.9
91.05463	81.5
93.07024	100.0
95.04945	9.0
95.08583	8.2
95.95529	0.7
97.10136	2.2
105.04526	2.1
105.07011	17.6
106.13847	0.7
107.08566	1.3
109.10118	3.6
111.75304	0.7
119.08560	19.6
121.10114	2.1
123.11677	1.4
128.23721	0.8
133.10101	8.2
137.13249	1.1
147.11659	4.4
153.02785	0.8
155.14253	4.7
161.13268	3.0
175.14789	1.6
181.82790	0.9
183.17444	1.3
245.22604	16.7
263.16360	1.4
263.20435	1.8
263.23618	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	263.2364
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03928	3.1
55.05502	16.6
57.07063	12.1
59.05421	2.6
65.03919	4.5
67.05492	83.9
69.07057	17.2
71.08622	9.8
71.81603	3.2
79.05482	26.2
81.07041	100.0
83.08611	14.8
85.06538	4.0
85.07131	2.1
85.10175	2.1
91.05459	22.4
93.07031	37.5
93.36579	2.0
95.04942	4.5
95.07987	4.5
95.08591	87.2
97.06492	5.7
97.10127	5.4
99.08051	5.4
105.07025	14.2
107.08567	15.2
109.06491	2.6
109.10141	52.9
111.08066	5.3
113.09621	2.5
119.08561	20.4
121.10107	15.1
123.11697	19.8
127.11176	3.3
133.10115	18.8
135.11658	9.5
137.09554	4.6
137.13203	9.0
141.12665	3.0
147.11644	10.3
149.13243	12.1
151.14790	11.6
155.14232	3.3
161.13231	11.6
163.14766	7.1
165.16360	9.1
175.14749	9.0
177.16339	3.2
179.17883	3.1
189.16238	4.5
203.17918	3.4
245.22643	41.4
247.11540	3.4
263.14459	22.2
263.17325	2.6
263.20395	4.9
263.23651	91.6
267.48770	2.0
267.98560	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2001
Annotation	Hamabiwalactone B
Peak:m/z	Relative Intensity
53.00289	3.9
53.03934	7.0
55.05494	3.1
57.07067	3.0
57.07324	0.6
57.21593	0.4
67.05495	4.2
69.07049	2.2
71.08612	1.1
71.47373	0.8
71.47729	0.5
79.05484	2.1
81.03400	19.5
81.07050	2.2
83.01344	0.6
83.08589	1.7
91.05457	1.1
93.07015	1.3
95.04936	1.9
95.08601	2.2
97.06505	0.5
97.10139	0.8
105.06995	1.5
107.04938	0.7
107.08537	0.7
109.02853	85.5
109.06502	1.4
109.10152	1.0
110.03189	1.1
111.04406	0.6
119.08543	1.3
121.06496	0.6
121.10137	0.7
123.04376	2.7
133.10062	0.5
137.05931	1.5
175.11086	0.4
245.22623	0.4
263.20004	100.0
264.20349	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	263.2002
Annotation	Hamabiwalactone B
Peak:m/z	Relative Intensity
50.54402	0.4
53.00299	3.1
53.03935	6.6
54.89640	0.4
55.01849	0.5
55.05502	3.4
57.07063	3.1
67.05488	5.6
69.07056	3.1
71.08614	1.1
79.05489	2.1
80.20654	0.5
80.71539	0.5
81.03405	21.1
81.07040	4.7
81.15125	0.4
83.01331	0.6
83.04951	0.8
83.08598	2.0
85.10207	0.5
91.05457	1.6
93.07048	2.8
94.02470	0.4
95.04947	1.6
95.08590	3.8
96.83372	0.4
97.06525	0.9
97.10178	1.0
105.07004	1.8
107.04932	0.8
107.08568	1.2
109.02862	88.7
109.06519	1.3
109.10153	0.9
110.03243	1.2
116.09466	0.4
119.08538	1.0
121.10130	1.0
123.04419	3.0
123.11689	0.6
129.07018	0.5
133.10106	1.1
137.05925	0.7
137.09554	0.5
137.13246	0.4
147.07965	0.6
151.07515	0.5
168.56210	0.4
175.83379	0.4
245.22699	0.8
263.20029	100.0
264.20389	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	263.1638
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
53.82606	0.5
55.01856	0.6
55.05496	1.3
57.07063	1.6
59.04987	1.2
63.02566	0.5
67.05474	1.9
69.03403	1.7
69.07053	0.8
69.63485	1.2
69.63912	3.2
78.45086	0.5
79.05470	2.4
81.03404	1.0
81.07040	4.9
83.04980	4.3
85.06523	1.0
91.05470	3.9
93.07036	3.1
95.04939	3.5
95.08585	2.0
97.06537	2.4
105.07019	7.0
107.04924	1.4
107.08584	4.8
109.06495	2.2
109.10147	1.2
111.04432	2.1
113.96866	0.5
117.06987	2.2
119.07727	0.7
119.08572	11.2
121.06504	1.8
121.10111	1.6
121.51805	0.5
123.08049	1.3
125.05949	1.2
128.06215	1.9
129.06984	1.8
131.08513	1.8
133.06436	1.0
133.10130	7.2
135.08038	5.9
137.09601	1.2
140.37505	0.4
141.06963	0.5
142.07790	0.8
142.62378	0.5
143.08540	3.9
145.06438	1.7
145.10086	1.4
146.07249	2.0
147.08032	11.6
147.11633	1.2
149.09587	1.0
157.10092	2.6
159.08025	0.6
159.11674	3.9
161.09601	10.4
161.13190	0.6
162.10368	0.6
163.07515	3.4
165.09056	0.5
170.10815	0.7
171.08153	0.7
173.09534	0.7
173.13239	1.0
175.11198	0.9
175.14795	1.4
177.09068	1.6
179.10640	1.5
179.59195	0.5
185.13208	2.4
189.09079	6.1
189.12637	1.3
199.14714	1.3
203.10631	0.7
203.14290	4.6
207.06549	0.9
207.10147	7.2
217.15842	0.5
227.14348	1.3
240.08260	0.9
245.15294	5.0
263.16391	100.0
264.16769	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1637
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
50.87170	0.3
53.03931	1.2
55.01852	0.9
55.05487	1.0
56.05007	0.4
57.03416	0.4
57.07056	1.3
59.04980	1.4
63.51714	0.4
67.05473	1.3
69.03410	0.8
69.07066	0.7
70.66985	1.2
71.04991	0.4
79.05482	2.6
81.03391	0.6
81.07039	5.1
83.04568	0.4
83.04968	4.8
85.06515	1.4
88.07608	0.8
89.07961	0.3
91.05464	3.8
93.07019	2.7
95.04944	4.6
95.08588	1.7
97.06509	1.7
99.04411	0.6
105.03372	26.8
105.07000	7.4
106.03639	0.5
107.04917	1.0
107.08571	3.6
109.06505	2.5
109.10120	1.2
111.04409	2.3
115.05406	0.7
117.07004	2.2
119.04892	0.5
119.08556	10.6
121.06494	2.0
121.07169	0.3
121.10132	1.6
123.07995	0.9
125.06004	1.9
128.06181	1.3
129.06969	1.4
131.08540	2.0
133.06442	0.8
133.10107	7.0
135.08025	6.0
135.11697	0.7
137.09607	2.0
142.07716	0.7
143.08542	3.5
144.09277	0.4
145.06448	2.0
145.10062	1.6
146.07214	1.1
147.08012	10.3
147.11633	0.8
149.09583	1.4
155.08534	0.4
156.09299	0.6
157.10123	2.7
159.08029	0.8
159.11639	3.9
161.09598	10.2
161.13258	1.0
162.10397	0.4
163.07530	2.7
163.11188	0.9
164.08246	0.6
165.09070	0.7
169.10066	0.4
170.10861	1.4
171.08017	1.0
173.13226	1.0
174.06689	1.0
175.07472	0.7
175.11128	0.9
175.14861	1.4
177.09059	1.3
179.10609	1.5
183.11604	0.4
185.09657	0.5
185.13290	2.5
187.11137	0.9
189.09047	6.3
189.12604	0.8
190.09756	0.5
199.14787	1.0
203.10968	0.4
203.14250	4.4
207.10103	6.5
207.11911	0.5
215.21983	1.4
217.15834	0.7
227.14302	1.2
245.15352	4.8
263.11761	4.9
263.16360	100.0
263.23904	3.8
264.16736	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1274
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
55.01849	1.5
55.05479	4.0
57.03411	1.6
67.05485	5.5
68.99748	2.5
69.03413	9.0
69.07054	2.2
71.05497	4.3
79.05476	6.6
81.03397	3.0
81.07044	10.4
83.04970	17.0
85.02889	14.1
91.05448	10.9
93.07042	8.4
95.04961	7.3
95.08560	4.2
97.02869	2.7
97.06506	6.3
105.07005	17.6
107.04920	1.5
107.08578	11.8
109.02838	2.9
109.06483	5.8
109.10148	3.5
111.04406	2.3
113.02348	38.3
113.03146	1.9
115.05444	3.5
117.06987	5.3
119.04921	3.5
119.08540	8.8
121.06508	6.8
121.10132	3.6
123.04417	3.2
123.08060	4.1
123.11691	4.6
128.06227	3.9
129.06981	5.4
131.08521	6.0
133.06491	11.1
133.10100	8.1
135.04420	1.6
135.08032	29.6
137.05965	6.1
137.09651	1.9
141.06950	2.7
142.07755	3.5
143.08501	7.5
145.06468	3.6
145.10107	3.8
147.08044	7.1
147.11662	4.5
149.05940	2.6
149.09593	10.2
151.07542	2.7
151.11160	20.5
153.07109	1.6
155.08549	1.9
156.09322	13.3
157.10092	7.6
158.07214	2.0
158.10849	1.4
159.07988	6.1
159.11661	4.1
160.08769	3.4
161.05945	24.1
161.09581	6.2
161.13315	2.0
163.07553	5.3
166.07739	2.4
169.06429	2.6
171.08044	2.4
171.11659	13.0
172.08882	2.0
173.09578	6.0
174.10370	2.2
175.07516	13.7
175.11147	19.4
176.08409	1.9
177.09070	2.1
177.12712	2.3
179.06996	5.2
181.10091	4.2
184.08817	9.2
185.09593	6.3
187.07564	4.0
187.11137	7.6
188.08318	2.6
189.05400	9.3
189.09036	3.6
189.12743	12.7
193.08566	9.5
199.11172	29.9
201.12694	2.7
202.09845	6.0
203.06981	1.9
203.10634	23.9
205.08516	2.5
207.06419	7.5
209.09602	3.3
212.08275	10.2
215.10623	2.8
217.12219	33.6
218.12013	1.7
219.13704	1.7
227.08412	2.6
227.10623	41.4
227.12807	2.6
233.11662	8.7
235.13324	2.4
245.11693	100.0
259.01132	1.6
263.12759	94.4
264.15948	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	263.1274
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
52.10602	1.6
55.01850	4.1
55.05494	5.5
57.03421	2.0
57.07068	1.8
58.57580	1.9
67.05489	7.4
69.03422	10.6
69.07069	2.9
70.06588	1.9
71.04980	1.7
72.08147	6.5
72.67875	2.0
79.05471	8.0
81.03408	3.1
81.07046	10.5
83.04962	21.6
85.02890	18.7
87.98801	1.5
91.05463	12.3
93.07033	7.9
95.04946	6.9
95.08601	5.0
97.02881	3.8
99.04462	3.1
105.07011	18.1
107.04953	3.3
107.08554	14.4
109.02883	4.4
109.06492	9.5
109.10151	4.3
111.04436	6.1
113.02348	38.8
115.05441	2.7
117.06993	5.4
119.04985	2.4
119.08559	10.9
121.06497	7.3
121.10177	3.2
123.04433	5.4
123.08057	6.5
123.11675	5.2
127.03889	3.0
128.06200	1.9
129.06995	5.8
131.08571	7.1
133.06491	12.2
133.10107	8.5
135.08028	28.2
137.05984	5.6
137.09605	3.0
138.18579	1.6
141.07004	4.3
142.07713	4.4
143.08534	6.3
145.06467	4.3
145.10153	3.6
147.04349	2.3
147.08003	9.7
147.11690	6.1
149.09624	9.9
151.07516	2.2
151.11174	25.2
155.08560	2.1
156.09305	13.8
157.10120	7.0
158.10968	2.2
159.08031	7.7
159.11690	7.2
160.08820	4.2
161.05966	23.7
161.09630	9.1
161.13248	2.0
163.07507	6.2
165.06941	3.3
165.09091	2.8
166.07799	3.9
169.06497	4.7
169.10179	2.2
171.08047	2.4
171.11664	16.0
172.08838	3.0
173.09625	5.7
174.10376	3.0
175.07523	10.7
175.11125	19.9
177.09105	2.4
177.12764	3.8
179.06966	5.4
181.10083	4.6
184.08821	9.9
185.09576	5.7
187.07645	4.6
187.11201	5.2
188.08305	4.3
189.05450	11.4
189.07005	2.4
189.09120	3.3
189.12677	13.2
192.05678	2.1
193.08609	5.0
197.05862	2.1
199.11159	33.3
201.09003	2.4
202.09897	5.2
203.10649	24.1
205.06544	4.8
207.06512	6.5
209.09578	5.0
212.08305	6.9
217.06459	4.8
217.12181	36.5
220.05260	5.9
227.10634	42.8
232.08841	9.9
233.05934	11.1
233.11746	2.9
235.13153	2.2
245.11685	100.0
248.04649	2.0
248.08237	15.1
263.07233	9.7
263.10480	15.1
263.12799	90.9
264.13089	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1274
Annotation	3-Hydroxy-8-oxo-2(9),6-lactaradien-5,14-olide
Peak:m/z	Relative Intensity
50.61845	1.6
53.03936	3.0
55.01856	3.2
55.05488	7.1
61.36129	1.6
67.05489	5.0
68.86124	1.7
68.99751	2.9
69.03413	7.9
69.07038	2.2
71.81718	2.2
79.05473	6.3
81.03389	3.1
81.07040	10.3
83.04960	20.8
85.02881	17.8
91.05432	9.0
93.07001	9.5
93.87048	2.0
95.04942	7.7
95.08602	5.3
97.02888	2.7
97.06501	4.8
105.07004	20.6
107.04951	3.7
107.08570	16.1
109.02844	3.6
109.06506	7.8
109.10133	7.6
111.04420	3.4
113.02340	35.4
115.05448	2.7
117.07004	4.6
119.04887	3.1
119.08545	11.0
121.06509	8.4
121.10104	4.4
123.04423	5.9
123.08061	2.7
123.11677	4.2
127.03884	4.4
128.06169	3.2
129.06984	4.1
131.08560	7.9
133.06509	10.7
133.10107	8.1
135.08041	23.4
137.05945	2.2
137.09637	3.7
141.06949	3.1
142.07718	4.7
143.08533	7.7
145.06480	4.2
145.10126	3.0
147.04445	1.9
147.07988	8.5
147.11644	3.8
149.09584	12.4
151.07481	2.5
151.11156	20.8
156.09297	14.7
157.10101	11.0
157.11211	2.0
159.07983	8.8
159.11697	4.9
160.08800	3.9
161.05948	20.8
161.09619	8.8
163.07518	6.4
166.07748	3.2
167.07022	2.2
169.06458	4.1
169.10158	2.1
171.08017	2.2
171.11644	11.5
173.09578	6.9
173.13271	2.0
174.10391	5.3
175.07567	8.9
175.11153	20.4
177.09094	2.2
177.12723	4.0
179.06955	6.6
179.08382	2.5
181.10065	4.9
183.11708	1.9
184.08830	8.0
185.09596	4.5
187.11205	8.7
188.08298	2.8
189.05428	10.0
189.12708	13.1
193.08600	4.4
199.11142	28.7
201.09059	3.0
201.12582	2.2
202.09845	6.0
203.10597	23.8
205.06450	5.6
205.08475	3.3
207.06496	6.9
209.09608	2.5
212.08316	8.3
217.06470	5.7
217.12178	35.0
227.10628	39.9
230.09357	2.7
232.08841	8.5
233.05931	14.2
233.11684	3.3
235.13402	4.3
245.11674	100.0
245.15588	4.1
248.08279	22.6
263.10495	21.5
263.12787	95.7
263.16388	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	263.1273
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
53.03916	2.2
55.01859	3.1
55.05484	5.5
57.03428	1.7
57.07055	1.6
60.04999	1.4
67.05476	5.5
69.03415	10.0
69.07004	2.2
69.80302	10.2
72.80756	1.6
73.97304	1.4
79.05471	4.6
81.03368	1.8
81.07040	11.5
83.04967	16.5
85.02900	11.5
85.58598	1.5
91.05473	9.0
93.07047	8.6
95.04967	7.3
95.08604	3.8
97.02856	3.0
97.06544	1.6
98.97546	4.8
105.03365	11.8
105.07013	18.8
107.04925	1.8
107.08585	14.9
109.02868	2.1
109.06480	6.6
109.10115	4.3
110.33469	1.4
111.04372	2.1
113.01620	2.8
113.02343	35.2
115.05412	3.8
116.98606	2.8
117.06989	4.6
119.04887	3.3
119.08591	8.3
119.09301	1.3
120.08066	6.5
121.06477	7.2
121.10081	2.8
123.04359	3.5
123.08026	5.9
123.11658	6.9
125.06007	2.0
128.06184	1.8
129.06970	3.3
131.08551	4.6
133.06462	13.8
133.10095	5.7
135.08041	24.8
137.05960	2.9
137.09634	2.4
141.06944	3.8
142.07755	3.4
143.08522	7.7
144.05730	1.4
145.06459	3.3
145.10054	4.3
146.06020	1.6
147.07994	5.7
147.11646	5.5
149.05977	3.0
149.09586	7.9
151.07533	2.3
151.11159	21.3
155.08537	2.7
156.09311	10.9
157.02443	1.7
157.10094	6.6
158.07220	2.7
158.99634	1.9
159.08043	7.4
159.11659	5.2
160.08801	3.3
161.05954	20.9
161.09561	6.3
163.07550	7.2
165.09077	1.6
166.07663	1.9
167.06958	1.6
169.06473	2.4
171.08046	3.3
171.11687	12.3
172.08698	2.6
173.09593	4.7
173.13197	2.2
174.10345	3.2
175.07520	13.9
175.11116	21.0
177.00624	2.9
177.09058	2.7
177.12703	3.3
179.07014	6.7
181.10056	3.3
184.08794	7.0
184.10313	1.9
185.09589	5.2
187.07483	3.3
187.11160	6.0
188.08270	5.0
189.05406	7.0
189.07040	4.5
189.09035	2.6
189.12733	14.7
193.08533	7.4
199.11156	25.0
201.12730	3.0
202.07950	2.9
202.09865	5.9
203.08707	3.9
203.10623	23.4
205.06450	13.9
207.06369	7.6
209.09560	3.9
212.08263	9.7
217.06483	13.6
217.09700	9.0
217.12195	30.4
218.07278	3.6
219.08066	5.3
220.06837	1.7
224.10674	5.1
227.10611	39.8
230.56627	3.5
232.08817	38.1
233.05937	55.3
233.09531	2.8
233.11719	5.1
235.07509	1.8
235.13213	2.4
245.11693	96.1
247.07248	2.2
248.08287	59.5
263.10565	100.0
263.12814	74.5
263.16183	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	263.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32802	11.0
70.39038	40.4
70.39450	20.8
98.20705	15.3
105.03030	10.7
105.14347	11.3
111.07208	12.6
130.91251	10.1
138.59540	11.9
166.22496	10.0
206.94438	13.0
263.01584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72586	0.6
59.73533	0.6
60.35782	0.6
70.81609	2.2
82.99868	2.0
84.23585	0.6
85.02869	0.6
97.02898	1.4
99.22849	0.6
100.02480	0.8
101.00866	10.0
105.00368	0.6
107.49313	0.7
113.00860	3.0
119.01907	47.3
120.01961	1.7
121.01673	2.5
131.01889	21.0
133.03482	1.4
137.02945	9.9
137.19751	0.8
139.02728	1.0
142.03557	1.6
143.00742	1.5
143.01884	31.4
145.03406	2.7
149.02917	5.5
155.01851	6.6
157.03447	3.9
160.04453	1.2
161.02942	100.0
162.03062	1.6
167.01834	1.8
173.02948	31.6
175.04526	1.8
177.00938	0.7
178.01163	0.9
179.00693	8.2
179.04012	3.0
184.04579	4.7
185.02936	10.0
187.04509	0.7
191.03990	25.1
196.04611	0.8
197.02954	4.9
203.03986	23.7
204.04211	1.1
209.04944	1.1
214.05693	1.4
215.04034	4.2
219.04005	0.9
221.01793	13.7
221.04930	3.5
227.00549	1.4
233.05011	4.4
239.06044	1.9
239.96298	0.9
239.98454	3.2
245.01779	5.1
245.05035	1.6
257.97171	1.1
263.02893	71.5
263.06100	42.2
264.00479	1.1
264.03043	2.0
283.70944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05509	0.6
56.63723	0.4
57.03414	1.3
58.06589	1.1
59.04986	9.0
59.07374	0.9
60.04518	0.5
60.08152	8.8
69.03410	0.9
70.06579	16.7
71.04981	8.2
71.80406	0.4
72.08126	0.6
74.06043	0.5
83.04948	0.6
84.04494	0.5
84.08131	1.0
85.02888	100.0
86.03253	1.1
86.06070	0.5
87.00803	0.6
88.07615	6.2
89.97414	0.4
95.08562	0.5
97.02893	0.9
98.03230	0.4
98.06025	3.9
98.98441	1.5
99.04441	1.0
101.00880	0.8
103.03922	1.0
111.04430	0.5
112.07574	0.6
115.08665	1.1
116.07079	10.4
117.05478	1.5
119.01922	2.2
124.07561	0.7
130.04887	0.4
130.08618	17.7
131.01904	1.4
131.09029	0.4
134.08090	1.7
143.01900	1.6
144.10156	2.9
145.04927	11.6
155.01909	0.5
158.08127	4.2
161.02953	6.0
162.04108	1.0
162.05460	0.7
163.03864	2.4
173.02946	1.4
176.09164	9.6
179.04155	0.5
184.06003	2.9
185.08055	1.8
187.04645	0.5
191.04025	1.0
201.95377	0.5
202.07115	4.1
203.04010	1.4
204.12338	0.5
208.03719	0.6
209.03198	0.6
219.06294	0.5
219.96791	0.5
220.08148	0.8
220.97356	0.5
244.08104	1.5
262.09183	1.2
262.16464	54.9
263.06244	2.2
263.08670	0.8
263.16678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.05501	8.2
57.03412	1.4
57.07063	2.9
60.75292	0.4
65.03934	1.0
66.69716	0.5
67.05492	26.1
68.05837	0.4
69.06728	0.6
69.07057	8.2
69.69377	1.9
69.69810	2.1
71.04965	1.7
71.08607	1.8
77.03931	0.7
79.05477	38.9
80.81926	0.4
81.07039	33.7
83.04944	0.8
83.08601	5.3
85.06532	2.1
91.05460	18.9
93.07025	47.3
95.04938	4.3
95.08590	23.6
95.09514	0.6
97.06532	2.7
97.10146	2.6
99.08078	3.0
105.07011	12.7
107.08573	34.9
109.06494	1.7
109.10142	10.2
111.08058	2.1
117.06986	4.6
119.08561	11.4
121.10119	31.5
122.10468	0.6
123.08046	0.8
123.11672	3.2
125.09615	0.8
131.08540	10.3
133.10103	9.6
135.08049	0.5
135.11667	23.6
137.09573	1.1
137.13210	1.2
139.11131	0.6
145.10100	10.3
147.11662	8.6
149.09612	0.7
149.13234	20.2
151.11159	0.8
151.14809	0.8
153.12683	0.7
159.11644	8.3
161.13223	8.8
163.14792	14.5
165.12660	1.1
173.13222	7.1
175.14792	3.6
177.12726	0.6
177.16373	3.9
179.14264	1.6
187.14769	4.7
189.16422	1.0
201.16373	2.3
203.17926	0.8
205.14091	0.6
205.15871	1.0
215.17950	0.7
217.19316	0.7
219.17337	0.7
226.49821	0.6
233.22630	1.2
243.21053	24.8
244.21544	0.6
261.22092	100.0
262.22366	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	262.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.9
55.01858	1.0
55.05494	1.2
55.72482	0.9
57.03425	1.3
59.04986	8.8
59.49794	0.9
60.04487	2.6
60.08152	6.0
68.99757	0.9
70.06577	90.4
71.04977	41.3
71.79576	1.1
81.03416	1.8
83.04961	1.3
84.08121	2.6
85.02888	100.0
86.06073	1.2
87.00816	4.3
88.03967	0.9
88.07613	33.5
98.06037	24.4
98.98468	1.6
99.04424	3.0
103.41233	0.9
112.07583	3.3
115.08658	1.4
116.07073	59.5
117.05455	7.8
119.01875	2.1
124.07552	1.5
130.08617	98.3
131.08957	1.6
134.08101	12.4
134.80818	0.8
135.04427	0.9
140.07001	1.0
143.01808	1.1
144.10161	3.1
145.04944	11.6
156.41292	1.0
158.08099	24.5
161.02954	4.6
162.04092	1.4
163.03893	2.4
173.02916	1.1
176.09154	60.8
184.06000	15.1
185.08018	1.1
191.03996	1.7
202.07065	30.9
203.09024	0.9
206.88963	1.0
220.08148	7.5
226.06747	0.8
243.03893	0.9
244.08163	6.8
262.03647	1.0
262.06802	1.7
262.09189	13.7
262.16458	55.6
263.06110	1.7
263.08780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
53.79090	0.4
55.01860	0.6
55.05260	0.8
55.05503	8.1
57.03409	1.3
57.07069	2.1
65.03921	1.2
67.05495	27.5
69.07057	8.5
71.04967	1.8
71.08591	1.3
71.24733	1.1
72.79705	0.4
77.03886	0.5
79.05482	38.1
80.05810	0.4
81.07043	35.3
82.07366	0.5
83.04961	0.9
83.08607	5.7
85.06529	2.8
85.06999	0.5
91.04904	0.9
91.05466	18.1
93.07028	54.2
95.04957	3.9
95.08591	24.2
97.06539	2.9
97.10149	1.8
99.08053	2.3
105.07012	12.2
107.08576	34.3
109.06497	1.8
109.10147	11.0
111.08064	2.3
111.11682	0.5
113.09596	0.7
117.06994	4.4
119.08570	10.8
121.10126	30.0
123.07988	0.8
123.11683	3.3
125.09574	0.6
129.07002	0.7
131.08536	10.6
131.67140	0.4
133.10098	10.2
135.08072	0.5
135.11670	24.4
136.11992	0.5
137.09569	1.4
137.13217	1.3
139.11137	0.5
145.10103	11.0
147.11665	8.3
149.13229	20.5
151.11130	0.7
151.14810	0.6
153.12717	0.7
157.06520	0.5
158.07222	0.6
159.08017	0.7
159.11671	8.5
161.13231	8.7
163.14799	15.1
163.16174	0.8
164.81500	0.4
165.12733	1.1
173.05997	0.6
173.13220	8.1
175.14801	3.9
177.16383	5.1
179.14288	1.4
187.07452	1.0
187.14786	5.7
201.09001	0.5
201.16336	2.2
205.15869	0.8
206.77066	0.5
215.17924	1.4
217.19398	0.6
219.10129	0.9
219.47891	0.4
233.22403	0.8
243.21054	26.1
244.21344	0.7
246.14116	0.5
261.04117	0.8
261.11227	2.9
261.22101	100.0
262.22504	2.6
275.96692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02384	0.5
53.03934	1.5
55.05500	10.4
57.03419	1.3
57.07071	2.8
59.05014	0.5
65.03930	1.1
67.05495	29.5
69.07056	8.5
70.22849	1.5
71.04984	1.7
71.08624	1.1
77.03894	0.6
79.05481	39.1
80.05823	0.5
81.03401	0.4
81.07043	33.5
82.07385	0.4
82.33545	0.3
83.08598	5.4
85.06521	2.3
85.10175	0.6
91.05463	17.7
93.07030	50.8
94.07370	1.2
95.04958	3.4
95.08594	27.2
96.08916	0.5
97.06522	1.6
97.10154	2.1
98.20765	0.7
99.08083	2.5
105.04517	0.4
105.07019	13.1
105.07703	0.8
107.08576	36.7
108.08898	0.6
109.06516	1.8
109.10134	10.6
111.08068	2.4
111.11720	0.5
113.09630	1.1
117.06994	5.2
119.08560	11.3
120.08956	0.4
121.06484	0.5
121.10126	30.7
122.10446	0.4
123.08055	1.1
123.11689	3.8
125.09611	0.9
127.11181	0.6
129.07022	0.4
131.08549	10.2
133.10106	9.7
135.08101	0.6
135.11673	26.1
136.12025	0.5
137.09596	1.4
137.13252	0.8
139.11168	0.6
145.10100	11.6
147.11665	9.5
149.09604	0.5
149.13231	21.3
150.13567	0.9
151.11153	0.8
151.14711	0.6
153.12671	0.5
157.10080	0.4
159.11684	8.3
161.13239	9.5
163.14803	15.1
164.15123	0.7
165.12769	1.0
173.13240	8.2
175.14827	3.5
177.12720	0.4
177.16327	4.3
179.14247	0.7
187.14789	4.6
189.16348	0.6
201.16371	2.8
205.15820	0.8
207.49875	0.4
215.17903	1.3
217.19527	0.6
219.17332	0.8
233.22571	1.3
236.44963	0.4
243.21048	25.2
244.21376	1.2
261.22098	100.0
262.22455	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.02349	0.5
53.03924	1.8
55.01847	0.6
55.05262	0.8
55.05503	9.4
57.03413	1.0
57.07073	2.7
65.03926	0.8
67.05495	31.1
69.07053	8.7
71.04986	2.2
71.08614	0.7
71.24226	0.9
79.05481	39.1
81.07043	34.2
82.07379	0.5
83.04946	0.9
83.08609	6.1
85.06522	2.4
85.10138	0.5
91.05461	18.4
91.78239	0.4
93.07028	50.9
94.07349	0.7
95.04938	3.2
95.08591	26.5
96.08913	0.4
97.06519	2.6
97.10139	2.4
99.08064	2.3
105.07006	13.7
107.08577	34.9
108.08945	0.6
109.06481	1.5
109.10139	12.0
111.08039	2.0
113.09603	1.1
117.06997	4.8
119.06083	0.5
119.08568	11.0
121.10126	31.6
123.08018	1.1
123.11699	3.7
125.09601	1.0
129.06937	0.7
131.08542	9.2
133.10110	9.5
135.11671	25.4
136.12045	0.7
137.09586	1.1
137.13199	0.8
139.11136	0.5
145.10106	9.5
147.11662	9.4
149.09517	0.4
149.13231	20.5
151.11154	0.9
151.14815	0.6
153.12746	0.8
159.11690	8.0
161.13240	9.4
163.11131	0.6
163.14795	18.4
164.15221	0.5
165.12694	0.9
171.11652	0.5
173.13231	8.0
175.14777	3.7
177.12741	0.5
177.16344	4.6
179.14301	1.4
187.14799	5.3
201.16377	2.2
205.15828	0.7
215.17943	1.4
217.19531	0.7
219.17365	0.5
233.22638	1.2
243.21048	25.4
244.21442	0.8
261.22101	100.0
262.22385	3.8
265.63568	0.5
266.68900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05486	10.3
67.05478	9.8
69.06732	2.6
69.07057	33.1
69.51801	21.3
69.52217	5.2
71.04978	32.2
79.05466	8.6
81.07047	20.5
83.04945	4.6
83.08582	8.7
85.06532	24.8
91.05460	10.6
93.07018	17.8
95.04932	2.9
95.08582	17.2
96.10585	2.2
97.06519	6.8
101.02751	2.5
105.07024	28.0
107.08575	20.1
109.06497	9.7
109.10149	15.2
111.08071	20.4
111.11710	2.5
117.06995	7.4
119.08562	71.5
120.09296	2.6
121.10123	12.0
123.11700	24.0
131.08554	13.0
133.10117	38.6
133.43755	2.8
135.08049	21.7
135.11673	8.6
137.09595	6.0
143.08533	11.0
144.09320	3.5
145.10103	37.8
147.07915	3.2
147.11626	25.7
157.10056	12.1
159.11665	31.2
160.12520	3.3
161.09756	3.1
161.13234	40.9
163.11153	4.8
171.11632	19.3
173.13249	10.8
175.14801	100.0
176.15486	4.1
177.12735	5.6
177.16406	3.7
185.13249	14.9
189.12743	4.7
189.16330	5.7
190.13393	3.9
191.14413	2.9
199.14769	6.3
201.16359	23.7
203.14265	9.6
214.49954	2.3
215.17935	5.4
241.19458	16.9
259.20538	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19023	0.4
56.05013	0.7
58.99561	0.6
62.72612	0.5
65.14296	0.4
67.04217	1.4
67.05470	0.7
69.03413	1.2
69.47262	2.6
69.47691	2.1
69.50430	0.4
70.06583	2.1
72.08162	0.5
73.01123	0.8
74.00648	6.8
75.46681	0.4
79.05505	0.6
84.04473	1.4
84.08116	2.4
85.02908	0.9
86.66154	0.4
87.64607	0.4
97.02869	1.9
99.04451	0.6
100.02187	90.6
107.04924	0.5
108.67610	0.5
112.07535	0.8
114.05528	0.8
118.03200	3.7
119.15723	0.5
120.01164	0.6
121.06499	0.8
126.05482	0.7
127.05932	0.6
130.08641	1.5
135.04410	0.6
138.05428	0.5
145.56996	0.4
146.02686	100.0
147.27985	0.4
163.03954	1.6
170.02682	0.6
174.98569	0.5
187.07556	0.8
213.06923	23.2
231.02730	0.6
231.06548	0.5
259.07535	34.5
259.09930	2.0
259.13303	1.3
260.10349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0961
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
53.03939	10.1
55.01855	3.4
55.05497	1.0
67.05476	1.5
69.07040	2.5
69.86269	2.1
69.86686	3.7
71.01353	6.5
79.05463	2.7
79.13053	0.8
81.03368	1.1
87.08381	0.8
91.05460	5.0
93.07043	4.6
95.04922	2.1
97.06514	17.1
97.07138	1.1
103.05476	4.0
104.05756	2.4
105.03356	2.0
105.07024	1.9
107.04950	1.4
109.02855	20.9
109.03600	1.1
115.05419	6.2
117.06994	2.1
119.04980	0.9
119.08572	1.5
119.33472	0.8
120.08079	13.0
121.06506	6.2
121.07716	1.0
121.08422	13.3
123.04372	6.0
128.06165	1.6
129.06979	1.4
131.08542	1.4
133.06491	4.3
135.04440	1.5
137.05942	3.7
141.06981	5.0
142.07796	1.2
143.04881	2.0
143.08525	3.5
147.04343	1.6
149.05923	4.7
150.06731	1.0
152.06145	2.2
156.05722	1.1
157.06450	1.8
159.04425	1.0
159.08026	1.1
160.05174	34.8
161.02316	2.5
161.05952	68.7
162.06351	1.4
163.03867	10.1
166.07825	0.9
167.08507	4.4
169.06450	2.7
171.08054	1.4
173.02330	5.3
173.05907	2.2
174.06744	0.9
175.03835	1.4
175.07509	1.3
184.05136	1.1
185.05923	2.7
185.09547	1.9
187.07483	2.5
189.09076	62.3
190.09482	1.6
195.07996	3.9
197.05978	1.7
202.06348	0.8
203.06976	1.0
212.04568	1.2
213.09114	5.1
215.06992	27.1
217.05075	1.6
217.08563	16.8
229.04964	1.3
230.05887	1.7
231.10127	0.9
233.08186	1.8
241.08571	3.0
259.09622	100.0
260.09845	3.2
262.91382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
57.07063	5.8
58.06340	0.5
58.06595	1.5
62.46834	0.6
63.94726	0.4
65.03927	1.6
65.29398	0.5
67.05453	0.7
70.06574	1.5
71.04976	0.5
71.08617	2.5
71.81300	0.6
72.07755	1.0
72.08142	19.3
79.05477	0.6
81.07037	0.9
85.10181	0.9
86.09692	1.1
88.07592	1.7
89.96017	0.6
90.09174	14.8
93.07028	1.0
94.07352	0.7
95.04951	0.6
95.08575	0.9
96.08993	0.6
105.06994	1.8
106.07367	0.8
107.08569	0.9
108.08907	0.6
109.10167	0.6
111.04428	1.4
119.04946	0.5
119.08585	1.1
120.08102	8.0
120.08919	1.1
121.02843	95.8
121.10117	3.6
122.03175	1.4
122.10432	4.0
123.08010	0.6
135.08029	1.7
136.08372	0.9
137.02275	0.5
144.08878	1.0
146.10429	0.6
146.57643	0.5
150.07010	0.6
158.10513	0.6
160.11948	0.8
169.03445	3.0
171.01456	0.7
184.11925	0.6
200.15141	1.8
204.69461	0.6
214.25278	1.2
216.18356	0.6
230.24759	0.8
231.60440	0.5
235.11792	1.0
240.10162	10.1
240.18114	0.5
258.11197	0.8
258.19150	5.9
258.27890	100.0
275.94788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15946	19.6
60.48095	23.0
63.70490	28.3
70.98244	62.0
75.92649	20.2
89.06483	23.9
93.58192	21.2
97.02866	40.1
100.02209	28.0
102.73715	20.4
104.10734	36.9
104.40407	20.7
105.11091	26.8
108.58430	19.8
114.05490	31.6
146.02684	48.1
196.29965	24.9
217.29359	20.1
259.02155	100.0
259.07828	66.5
259.12930	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64282	0.3
53.03924	0.4
54.52871	0.3
55.01857	1.1
55.94276	0.3
63.23082	0.3
65.03926	2.6
68.99780	0.4
69.07050	1.0
79.05479	1.0
93.03362	0.5
93.06980	0.5
95.04966	0.4
97.06514	4.4
98.21552	0.6
103.05445	1.6
105.03368	2.0
105.07014	6.2
106.03718	0.7
107.03968	0.4
111.04424	8.4
120.08081	10.2
121.02845	100.0
122.03199	1.5
122.09634	1.3
123.03395	0.5
135.04391	0.7
137.02330	7.9
137.03336	0.4
145.02812	0.4
161.02354	0.8
163.03880	2.3
173.02324	1.3
207.02908	1.2
215.07013	2.3
217.05008	0.5
234.99181	0.4
240.10159	18.8
258.05035	0.5
258.11316	3.6
259.09592	2.4
274.89658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1122
Annotation	6-Methoxyflindersine
Peak:m/z	Relative Intensity
53.03933	0.7
55.01868	0.8
65.03926	0.4
68.07040	0.3
69.07066	0.6
69.91132	1.5
69.91547	0.5
71.01334	0.4
79.05480	4.7
81.03403	1.4
93.03403	0.4
95.04961	1.2
97.06513	5.9
103.05449	2.7
105.07011	78.1
106.07355	1.0
109.02875	0.9
111.04422	1.8
114.33761	0.3
120.08096	0.3
122.09642	20.8
123.10094	0.4
127.03044	0.4
127.03880	2.1
130.06497	0.4
135.04393	0.5
137.02319	100.0
138.02644	1.4
148.07524	1.1
154.04962	0.5
158.22232	0.3
161.02327	0.8
163.03888	3.3
173.02328	2.4
215.06995	3.0
258.11221	40.9
259.09314	2.1
259.11890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1122
Annotation	Haplophytin A
Peak:m/z	Relative Intensity
55.01857	0.3
60.82933	0.2
65.03926	1.5
66.93464	0.2
71.01321	0.3
71.35349	0.6
79.05450	0.3
91.05474	0.5
93.07010	0.6
97.06506	1.2
103.05453	2.3
105.03365	0.6
109.02756	0.3
111.04436	2.3
120.08084	19.1
121.02843	100.0
121.06439	1.7
122.03187	2.3
123.03445	0.5
135.04434	0.3
163.03885	0.9
173.02394	0.3
215.07024	0.6
240.07715	0.6
240.10153	11.4
258.05042	0.7
258.11200	0.9
259.09531	0.5
279.74585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.112
Annotation	Tolmetin
Peak:m/z	Relative Intensity
50.13599	0.4
53.03938	0.9
55.01862	0.9
55.05500	0.4
59.58631	0.4
65.00008	0.5
65.03929	1.3
69.07032	0.5
69.86945	1.1
69.87365	2.1
70.06593	0.7
77.03266	0.4
77.03899	0.4
79.05479	6.6
81.07024	2.0
83.56023	0.4
84.89745	0.4
85.02905	0.5
86.09698	0.5
86.77799	0.4
91.05459	84.2
92.05765	1.0
93.07024	0.8
95.04945	7.7
97.02854	0.5
97.06524	1.1
98.97553	0.8
101.20057	0.4
103.05471	1.1
104.10722	0.6
105.03371	32.8
106.35906	0.5
107.04937	1.3
109.06509	1.6
111.04423	0.6
119.04919	71.5
120.05254	0.6
121.02849	9.3
121.06486	6.3
122.06005	43.5
123.03200	0.4
137.05949	100.0
138.06288	1.5
139.02800	0.5
141.06966	1.1
147.04338	0.5
149.62253	0.4
159.08052	0.5
161.02293	0.5
161.05936	1.0
163.03862	0.6
164.07028	3.8
169.06528	2.6
175.03851	1.0
187.07523	1.5
195.08061	0.5
197.05986	1.1
200.04692	1.8
210.96951	0.5
215.06975	6.0
223.07611	0.6
227.11700	1.2
234.99075	0.5
240.10109	1.4
241.08566	1.0
258.11215	6.6
259.06033	0.5
259.09662	3.7
259.14261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1121
Annotation	Tolmetin
Peak:m/z	Relative Intensity
53.00292	0.4
53.03949	0.6
53.68703	0.5
55.01864	1.2
65.03936	2.5
67.05483	0.7
67.29131	0.4
68.26123	0.5
69.07027	0.8
69.46843	1.0
69.47245	4.4
76.28646	0.5
79.05472	2.4
81.07041	0.6
83.69089	0.4
84.08122	0.6
91.05464	33.0
91.83192	0.5
92.05759	0.5
95.04948	3.7
97.06510	4.0
105.03375	14.8
107.04910	0.6
109.06486	0.8
111.04425	7.7
119.04923	27.6
120.05228	0.5
121.02846	100.0
122.03183	1.1
122.06010	16.5
130.06573	0.8
137.05957	37.4
138.06343	0.5
141.07007	0.8
146.05971	0.5
157.06506	0.5
159.04410	0.6
161.02304	0.6
161.05914	0.8
161.64528	0.5
163.03909	1.9
164.07086	0.7
167.08572	0.5
169.06456	0.8
173.02390	1.3
175.03836	0.7
180.62129	0.5
187.07527	0.7
192.67299	0.5
197.05923	0.8
199.07405	0.5
200.04645	1.1
202.05629	0.5
213.09200	0.5
215.06993	4.5
240.10162	18.4
241.08603	0.7
258.04837	2.5
258.11209	1.8
259.09683	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	258.112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03933	1.1
55.01860	0.9
64.71534	0.4
65.03930	1.6
66.05851	0.4
69.07031	0.8
71.81750	0.6
78.53528	0.4
79.05504	0.5
86.09697	1.3
89.13780	0.4
91.05463	6.2
93.07027	9.6
95.04950	2.4
97.02866	0.8
97.06507	1.6
103.05448	6.4
104.10725	0.7
105.03385	2.7
105.04474	0.6
111.04422	0.9
120.08069	0.5
121.02846	85.1
121.06480	100.0
122.03168	1.6
122.06817	1.6
123.81841	0.4
124.99952	0.5
138.05501	2.3
138.09114	30.0
151.14252	0.5
163.03900	0.5
169.06439	1.0
173.02333	0.9
175.03862	0.7
187.07526	0.5
195.08023	0.7
197.05951	0.5
200.04605	0.9
213.09389	0.4
215.06967	3.0
217.56157	0.4
240.10214	0.5
240.19408	0.5
258.05063	0.9
258.11197	26.8
259.09555	1.8
259.11969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.097
Annotation	Dioxolamycin
Peak:m/z	Relative Intensity
51.75737	0.5
53.03928	1.3
55.01845	0.7
56.05007	1.2
57.03407	0.9
61.02912	0.7
67.05496	0.9
68.05009	0.9
69.03081	0.9
69.03418	11.5
70.06591	3.5
71.04976	0.7
71.80471	1.0
72.08138	1.4
73.02887	1.5
74.06085	0.6
79.05462	0.7
80.05003	3.9
82.06567	9.3
84.04482	2.6
84.08116	2.1
85.02431	1.0
85.02893	9.4
86.09682	2.3
91.05473	0.6
94.06559	0.8
96.04492	0.8
97.02878	13.2
98.06033	3.5
99.04431	1.5
100.02142	1.1
104.10726	7.0
108.04465	12.9
109.10149	0.7
112.03945	1.0
112.07615	1.0
115.03904	3.7
121.02850	0.9
122.06051	0.7
124.03927	1.2
124.99974	1.4
126.05500	44.8
126.06531	1.8
127.06269	4.0
129.10208	1.3
137.02307	0.7
138.05452	1.4
144.95811	0.6
146.02650	1.4
147.03149	0.8
149.02356	3.0
152.06978	0.6
153.07411	0.9
158.97339	0.7
159.22021	0.8
163.03928	1.9
164.56020	0.6
168.06490	1.5
171.03165	1.2
174.04359	1.5
184.07318	1.1
186.04359	0.8
189.04315	1.1
193.35396	0.6
204.05386	2.3
209.72337	0.7
212.09132	1.0
234.98935	0.7
240.08681	6.7
240.19363	1.1
258.09683	100.0
258.20432	1.8
259.10019	1.1
278.06857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
54.13612	2.2
55.05494	5.4
55.45174	1.9
56.96564	2.5
57.07060	7.2
67.05483	8.7
69.03410	3.0
69.07069	17.6
71.04982	3.5
71.08627	2.6
78.67824	2.0
79.05475	7.2
81.07030	8.3
83.08600	4.1
91.05470	7.3
93.07027	6.8
95.04923	4.8
95.08585	14.0
97.06476	5.2
97.10217	2.3
99.08031	3.2
102.29942	2.1
103.05499	2.0
105.03375	3.9
105.07014	23.1
107.04894	6.0
107.08568	7.5
109.06477	4.4
109.10130	8.5
115.12049	2.2
117.07030	3.6
119.04956	3.4
119.08547	12.8
121.02843	4.3
121.06427	2.9
121.10126	19.5
123.07995	2.1
123.11697	3.5
129.06992	3.2
130.45493	2.4
131.08548	8.3
133.06459	3.6
133.10094	10.6
135.08023	8.7
135.11649	5.7
137.02286	7.8
137.09570	4.2
142.07722	4.7
143.08522	8.3
145.10101	18.9
147.08005	2.3
147.11649	5.2
149.09537	3.1
155.08522	4.7
157.10112	16.3
159.08011	2.3
159.11641	21.4
161.13223	7.7
165.06964	2.5
169.10121	4.7
171.11601	11.5
173.09563	3.2
173.13226	15.0
183.11642	10.7
184.12259	2.2
185.13240	5.2
187.11140	7.0
187.14786	3.0
189.12602	2.5
197.13225	6.0
199.14789	16.3
201.12737	10.5
210.06750	2.2
213.16405	12.8
214.17152	2.7
215.14212	2.3
215.17947	14.4
229.06319	2.5
239.17918	14.2
240.09712	3.0
242.09209	3.1
255.12758	2.6
257.04276	3.4
257.11765	19.9
257.18961	100.0
257.22995	36.3
257.26431	11.1
257.30264	3.5
258.11176	5.1
258.19067	2.6
258.27786	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03923	2.0
55.01842	1.1
55.05489	4.2
57.07053	4.3
65.03913	1.4
67.05499	7.9
69.03423	2.5
69.07054	4.5
70.06563	1.2
71.04967	4.1
71.08585	1.5
72.08142	2.3
74.64442	1.0
79.05483	10.4
79.07242	1.1
81.07043	7.1
83.04967	1.4
83.08574	2.7
83.43329	1.2
85.06515	2.5
86.28458	1.1
88.07605	1.7
90.09173	1.9
91.05461	13.2
93.06488	1.8
93.07028	21.4
95.04946	7.2
95.08589	11.2
97.06500	2.2
98.21429	2.6
99.08060	1.1
103.05449	2.6
105.03388	2.1
105.07008	26.6
106.03722	2.3
107.08571	19.3
108.70537	1.1
109.06501	7.5
109.10145	13.6
111.08058	3.6
115.05431	1.3
117.06987	5.9
119.08566	23.3
120.08086	5.6
121.02851	52.8
121.10125	100.0
122.03139	1.1
122.10429	2.2
123.08051	6.5
123.11666	1.7
128.06168	2.5
129.06947	4.0
130.07704	1.6
131.08540	11.6
133.10121	8.8
135.08034	37.6
135.11630	3.6
137.02263	1.2
137.09633	7.9
141.06891	1.7
142.07745	4.7
143.08533	21.2
144.09268	2.5
145.10091	14.0
147.11620	3.6
149.09613	4.8
151.11186	2.0
155.08510	4.4
156.09319	2.8
157.10117	17.8
158.10860	3.0
159.11667	13.0
161.09641	1.4
161.13300	1.7
163.11163	5.4
168.09358	1.3
169.03430	2.4
169.10104	9.8
170.10829	1.1
171.11664	8.7
173.13248	15.3
175.11118	1.2
177.12749	2.5
182.10994	1.3
183.05608	1.1
183.11649	7.1
184.12433	2.3
185.13251	1.8
187.11160	2.9
187.14786	2.6
187.82828	1.0
195.11728	2.0
197.13246	6.7
199.14798	40.7
200.15141	1.0
201.12775	4.5
209.13329	1.5
211.14813	1.4
213.16318	12.4
214.17114	1.8
215.14340	2.1
215.17953	6.9
217.10526	1.0
224.15500	1.1
229.12233	1.1
239.17903	13.4
240.10129	7.2
257.18973	94.6
257.26648	10.3
257.29449	1.8
257.29849	1.5
258.19379	3.0
258.27890	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	257.1896
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
51.41895	0.7
51.66084	0.6
55.05507	4.1
57.07056	2.1
59.04969	0.9
67.05494	6.0
69.07062	4.6
69.52021	6.6
71.04971	3.5
71.08623	1.1
72.08128	0.9
79.05484	7.0
81.07038	5.8
83.04972	1.0
83.08588	2.4
85.06520	4.4
88.07625	1.0
89.82687	0.7
90.09174	0.9
91.05461	10.7
93.07030	17.3
95.04952	4.5
95.08595	10.6
98.21438	1.4
99.08070	1.1
103.05434	0.8
105.06318	1.3
105.07013	19.0
107.08573	17.0
109.06503	6.3
109.10142	8.7
111.08057	3.1
115.05418	1.2
117.06987	4.5
119.08560	18.6
121.06500	1.2
121.10128	62.8
122.10438	0.8
123.08057	4.4
123.11675	1.8
125.09608	0.9
128.06218	2.6
129.06982	3.9
130.07700	1.1
131.08554	10.9
133.10106	11.2
135.08032	21.3
135.11682	4.1
137.09613	6.4
141.06952	1.7
142.07767	4.9
143.08545	15.5
144.09296	2.7
145.10097	16.0
147.08020	0.9
147.11664	3.7
149.09598	2.8
149.13219	1.1
151.11200	1.3
153.06984	0.8
154.86380	0.7
155.08521	5.3
156.08151	0.8
156.09303	3.8
157.10117	20.9
158.10902	4.0
159.08076	1.4
159.11671	19.1
161.09586	1.9
161.13173	1.4
163.11176	4.0
167.08586	0.8
168.09323	1.9
169.10104	9.4
170.10837	2.3
171.11667	11.9
172.12434	1.1
173.09598	3.0
173.13234	23.5
174.13914	2.7
175.11169	2.0
175.14790	2.5
177.12640	1.5
181.10107	1.2
182.10944	1.2
183.11665	9.2
184.12508	3.2
185.13246	2.5
187.11142	5.0
187.14769	3.5
188.11852	0.8
189.12686	2.3
197.13237	7.5
199.14792	30.3
200.15355	0.9
201.12715	9.1
209.13219	1.2
210.13998	1.3
211.14854	1.9
213.16359	10.5
213.18265	1.1
214.17126	3.1
215.14314	2.6
215.17906	7.1
224.15639	1.3
239.17923	14.1
243.05995	0.6
257.18964	100.0
257.26523	7.4
258.19278	3.1
258.27884	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.7
55.13437	0.5
57.03424	6.6
58.15500	0.4
70.03117	0.4
71.08890	1.2
75.04459	2.2
79.05489	3.3
88.81009	0.4
90.58661	0.5
91.05466	1.5
93.14990	0.4
94.04173	0.9
95.04958	0.4
103.05459	2.5
105.03403	0.6
105.07009	32.5
107.04909	2.9
109.06496	1.0
115.05411	0.8
117.07010	0.8
119.04906	0.4
119.08547	0.6
121.02816	0.8
121.06450	0.4
122.03673	3.0
124.05170	0.9
126.05229	0.5
128.43164	0.4
131.04884	0.6
133.06461	51.2
134.06812	1.0
135.04367	0.5
135.08046	1.0
136.05159	0.4
137.05949	100.0
137.67749	0.4
138.06276	0.9
147.04369	0.9
147.08080	0.5
150.06793	0.4
151.07466	0.7
162.06824	0.5
163.07487	4.3
165.09090	27.3
166.09474	0.5
175.07524	3.4
177.09070	1.5
180.07730	0.4
181.08548	2.2
182.09354	0.9
183.10123	7.2
185.40823	0.4
189.08971	0.4
193.08598	0.5
197.50452	0.4
203.10643	1.9
209.11722	1.0
221.11667	2.8
224.10458	0.4
239.12785	1.8
257.13797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2266
Annotation	Andrachcine
Peak:m/z	Relative Intensity
53.03922	0.4
55.01849	0.4
55.05498	1.7
57.06788	0.4
57.07063	6.3
58.06584	2.8
67.05500	1.9
69.03394	0.4
69.07040	2.2
70.06573	2.4
71.08295	0.5
71.08616	5.7
71.14166	0.6
71.14516	0.4
72.08137	0.3
72.93777	0.6
74.06030	0.4
79.05457	1.1
81.07027	3.2
82.06538	0.6
83.08592	1.3
84.04471	0.9
84.08114	1.6
85.10155	3.1
86.06054	3.6
88.07600	1.4
89.06016	0.7
91.05445	0.5
93.07006	0.5
94.74833	0.3
95.04927	1.2
95.08579	3.9
96.04456	0.4
96.08127	0.5
97.10122	0.7
98.06013	0.7
98.98435	0.7
99.37340	0.4
100.07577	1.5
102.09164	9.7
105.02654	0.4
105.03367	6.5
105.06989	0.6
107.04919	1.0
109.10139	0.8
111.04395	0.3
112.07557	1.2
112.52534	0.4
120.08085	1.0
121.02839	7.4
121.10104	1.0
122.06014	3.3
130.04918	0.6
134.05997	0.6
135.11613	0.4
137.02306	2.2
138.88023	0.4
144.17484	0.4
147.11635	0.5
151.37695	0.4
153.87984	0.4
155.14244	0.6
196.20570	1.0
199.16922	2.6
203.17928	0.7
206.19054	0.5
212.19995	1.2
220.20505	0.4
221.18961	0.6
226.21550	0.8
238.21571	1.9
256.22665	100.0
256.26257	10.5
256.29575	1.9
257.11710	1.5
257.19028	0.7
257.22989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0964
Annotation	Ketorolac
Peak:m/z	Relative Intensity
51.02374	0.7
53.03943	3.9
55.01855	0.4
61.17184	0.4
71.23631	1.0
71.23973	0.5
76.60432	0.4
77.03929	1.6
79.05482	7.8
79.47663	0.6
81.03425	0.5
95.04953	9.1
105.03381	100.0
106.03728	1.2
106.06559	0.4
107.04945	16.1
115.54015	0.4
121.02802	0.5
122.06015	66.4
129.93817	0.5
134.06000	10.3
134.07019	0.5
135.04395	6.9
256.09659	7.1
256.26166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0963
Annotation	Ketorolac
Peak:m/z	Relative Intensity
50.01590	0.3
51.02369	0.8
51.23173	0.4
53.03939	3.4
55.01834	0.4
57.07069	0.4
62.87470	0.3
67.05499	0.5
69.07055	0.4
70.06584	0.4
70.24036	1.8
72.41338	0.3
77.03899	0.9
79.05476	2.6
81.03423	0.6
81.07016	0.3
83.08599	0.5
83.21085	0.3
84.04469	0.8
84.39872	0.3
85.02880	0.4
86.09725	0.5
88.07616	1.0
94.09823	0.3
95.04951	7.9
98.98486	0.6
105.03374	100.0
106.03742	0.8
106.06538	0.8
107.04930	13.0
110.07143	0.5
111.04378	0.3
117.99567	0.5
119.63568	0.4
121.02200	0.2
121.02843	13.9
122.06009	24.8
123.04381	0.4
124.03940	1.4
134.05992	9.1
135.04396	9.7
136.07571	1.6
152.07071	0.5
162.05446	2.1
169.03383	0.6
178.03162	0.7
183.35928	0.3
187.04468	0.6
195.15907	0.3
210.05806	0.4
220.09673	0.4
238.08611	1.1
256.06537	1.2
256.09601	9.7
256.11713	0.7
256.26318	4.1
257.10110	0.4
276.77484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23948	0.2
65.03928	1.7
71.04476	0.6
81.03383	0.2
91.05453	0.7
93.79941	0.2
105.03361	1.0
111.04432	2.2
118.06528	0.8
119.04884	0.4
120.08078	5.8
121.02843	100.0
122.03197	0.7
127.03899	0.3
136.07547	1.6
137.02318	10.7
137.03299	0.4
162.41562	0.2
227.91405	0.3
238.08626	0.3
241.08040	0.3
256.05829	0.3
256.07095	0.4
256.09601	3.4
256.11697	0.2
256.26355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0964
Annotation	(E)-1-Methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene
Peak:m/z	Relative Intensity
52.74446	0.2
65.03925	2.3
68.46140	0.2
68.99792	0.4
71.47804	0.5
73.23889	0.2
91.05473	1.9
96.54338	0.2
105.03367	0.4
110.27185	0.2
111.04420	2.3
118.06519	4.6
119.04913	0.6
121.02847	100.0
122.03210	1.0
136.07553	4.4
137.02287	0.4
143.46561	0.2
158.93146	0.2
174.23625	0.2
256.09650	11.2
259.06406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81200	0.2
55.01855	0.3
55.33028	0.2
57.07066	0.2
65.03926	1.6
70.39430	0.9
77.03224	0.2
87.57161	0.2
91.05469	1.3
93.03364	0.2
95.04980	0.2
97.02876	0.2
105.03369	1.4
105.06995	0.7
107.04969	0.4
109.91484	0.2
111.04429	2.6
118.06433	0.2
119.04903	1.2
121.02842	100.0
122.03178	0.8
122.05992	0.4
124.03913	0.4
131.75188	0.2
133.06439	0.8
136.07549	8.9
137.05962	1.8
147.85593	0.2
162.05467	0.3
165.09094	0.3
182.05916	0.2
183.10138	0.4
189.51643	0.2
213.09091	0.2
224.07832	0.2
225.84401	0.2
244.73827	0.2
256.05978	1.3
256.09625	6.4
256.26251	0.9
265.65387	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0964
Annotation	(S)-Ketorolac
Peak:m/z	Relative Intensity
51.02360	0.6
52.10239	0.4
53.03938	3.7
54.65117	0.4
55.01859	0.7
71.49684	0.7
71.50015	0.7
77.03917	0.5
79.05482	6.7
81.03400	0.5
88.07613	0.5
91.05479	0.5
95.04951	9.3
105.03373	100.0
106.03783	0.4
106.06530	0.6
107.04938	14.4
120.08068	1.8
121.02843	6.1
122.06007	71.1
122.21817	0.5
123.06402	0.7
134.05994	9.7
135.04378	6.6
136.07478	0.6
137.02310	3.6
154.67398	0.4
162.05447	0.5
212.15080	0.8
248.24734	0.4
256.09708	8.1
256.17688	1.1
256.26376	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0965
Annotation	(E)-1-Methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene
Peak:m/z	Relative Intensity
53.03941	0.3
55.01860	0.5
65.03918	0.4
68.99786	0.2
69.56490	1.8
69.56769	0.2
71.01327	0.5
81.03409	1.8
91.05476	0.3
93.07021	0.5
98.20554	0.2
99.73576	0.2
103.05463	1.1
105.03381	2.1
109.02868	1.2
111.04413	1.4
112.17964	0.2
113.33270	0.2
119.07285	0.2
120.08086	52.0
121.02848	14.3
121.08443	0.4
127.03896	2.4
137.02325	100.0
137.03380	5.5
138.02658	0.7
138.03665	0.2
149.29137	0.2
154.34811	0.2
165.50705	0.2
167.07059	0.2
177.31328	0.2
243.87187	0.2
256.09653	14.0
256.26376	0.4
267.21881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
55.01864	2.9
55.05472	0.2
57.03429	4.9
59.04985	1.0
61.02921	1.1
61.03166	0.2
69.03419	2.4
70.06573	0.2
70.62486	0.6
71.01340	1.0
71.04981	0.2
73.02908	3.3
79.04237	0.2
80.04996	1.0
81.43813	0.2
83.06094	0.4
84.08121	0.3
85.02892	4.1
86.06075	0.2
87.04449	0.9
89.02376	0.4
94.06561	0.2
96.04483	0.7
97.02879	1.2
97.07656	0.3
98.21358	0.2
99.04469	0.2
101.02360	1.3
103.03919	0.6
109.07616	0.2
110.07162	0.2
114.05526	0.9
115.03918	3.8
117.24131	0.2
124.03931	100.0
125.04269	0.7
125.07127	0.2
127.03902	0.2
127.05019	0.4
127.08659	0.2
129.01813	2.1
133.04936	4.5
133.05901	0.3
136.07597	0.2
143.03401	1.1
145.04958	0.3
151.19856	0.2
153.45392	0.2
155.08141	2.7
157.01320	1.4
160.04706	0.4
161.04424	1.4
166.08601	0.2
168.06563	0.3
169.05254	0.2
171.02879	0.5
189.03902	3.9
203.05510	1.6
204.66837	0.2
207.05077	0.2
221.06548	0.8
238.07082	0.2
256.08145	1.2
256.12823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03432	4.1
61.02917	1.4
69.03412	2.6
69.77074	8.6
69.77485	2.0
71.01359	1.5
71.07410	1.4
73.02905	3.5
78.65874	1.4
83.59580	1.3
85.02901	4.6
88.03417	1.5
89.56695	1.3
98.98449	2.7
102.85478	1.5
110.57783	1.6
115.03943	1.8
118.50485	1.3
123.05540	9.1
123.90503	1.4
124.03934	100.0
133.04968	4.9
138.05431	8.5
232.68144	1.4
255.06268	18.1
255.13968	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	255.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90313	6.3
71.05425	21.3
71.55116	6.8
93.83940	7.7
94.93011	37.8
100.84355	6.3
154.99777	15.3
156.88516	8.3
171.57745	6.9
178.01347	14.1
254.86235	50.5
255.06238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0811
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
55.01867	2.6
57.03428	3.9
59.04978	0.4
61.02914	1.0
69.03419	1.9
71.01347	1.3
73.02903	2.1
73.66429	0.3
79.55432	0.2
80.04997	1.1
85.02889	2.6
87.04445	0.8
94.92976	0.4
96.04491	0.7
97.02885	1.2
98.21434	0.5
103.03925	0.3
115.03886	1.8
118.74219	0.2
124.03931	100.0
125.04247	1.0
133.04950	4.4
135.81276	0.2
136.94005	0.6
148.94025	0.3
166.95015	0.4
168.54486	0.2
223.12929	0.2
256.08154	1.1
256.98242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08153	82.7
61.08446	0.9
65.03931	5.7
71.30297	2.0
74.09589	0.7
79.05480	1.0
81.03362	0.8
86.03497	0.8
89.03870	0.8
91.05460	7.0
93.03393	13.0
95.04944	1.1
98.98430	2.9
103.05458	1.1
104.82547	0.8
107.86704	0.8
110.03613	2.2
111.04423	22.5
119.04910	6.1
121.06464	3.1
125.05968	42.4
134.03568	1.4
149.05954	84.1
150.06281	1.6
151.07520	1.4
153.05438	100.0
154.05716	2.0
177.05432	6.4
178.35268	0.9
195.06494	67.5
196.06860	2.4
241.28400	0.8
254.13834	64.4
255.14197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.1
60.08135	2.6
61.02913	4.1
69.03424	3.1
71.01331	8.2
71.04968	2.2
71.77798	2.1
75.04463	16.5
79.63567	1.6
81.03405	3.7
84.08121	2.2
85.02872	2.8
87.04449	5.0
89.02383	2.6
92.97889	1.6
98.98449	36.9
103.03925	15.7
111.04376	2.3
121.02879	1.7
121.10201	1.6
123.04414	2.2
131.03387	5.8
143.00069	2.3
159.02870	45.9
161.21101	1.6
166.08696	1.9
187.02359	5.1
188.92476	4.0
208.09721	2.2
219.04965	100.0
236.09204	1.8
236.16289	2.0
254.04753	5.0
254.10173	5.3
254.13910	3.7
255.06445	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0808
Annotation	2-(4-Hydroxybenzyl)isoindole-1,3-dione
Peak:m/z	Relative Intensity
52.85572	0.2
55.01868	0.3
65.03925	1.2
70.53753	0.9
91.05499	0.3
93.03448	0.3
98.98467	1.3
103.25278	0.2
105.03375	0.3
107.04942	7.3
111.04424	1.8
117.03367	0.2
121.02849	50.5
122.03178	0.9
132.04430	2.0
135.04398	2.3
141.06967	0.2
153.06985	1.1
155.08577	0.7
160.03922	0.6
161.04695	0.5
165.06993	2.6
180.08025	0.5
181.06465	1.7
183.08018	2.9
190.06523	0.7
191.07243	0.2
199.07533	0.8
201.25792	0.2
207.06761	0.5
208.07559	3.1
209.05952	0.9
209.07739	0.2
211.07527	2.2
212.07126	0.2
225.05325	0.2
226.08498	0.7
227.07030	0.5
235.06293	0.4
236.07036	12.5
237.05421	0.8
237.07411	0.3
253.07193	0.4
254.08086	100.0
255.08421	3.7
260.76334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28337	1.0
61.02907	4.8
69.58361	9.0
69.58773	2.4
69.60657	1.2
70.06586	2.0
71.01356	6.2
75.04476	12.7
85.02863	1.3
87.04443	3.3
89.02377	2.7
93.07000	1.4
98.98452	18.1
103.03931	13.9
107.04951	1.6
110.07095	1.3
115.20444	1.3
120.08056	1.8
120.62560	1.1
131.03375	5.0
159.02872	45.4
163.03917	1.4
187.02393	3.1
188.92442	3.3
219.04971	100.0
230.93515	1.4
254.04671	1.5
254.10217	3.8
254.13901	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	253.1797
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03921	1.8
54.92255	1.0
55.05497	4.8
57.07060	2.8
59.04988	1.7
67.05498	14.6
69.03426	2.2
69.07060	8.4
71.04985	12.0
71.08597	1.0
71.81579	1.5
73.02879	1.0
73.06526	0.9
77.74858	0.9
79.05473	4.2
81.03424	2.4
81.07046	15.8
83.04969	2.5
83.08600	5.1
85.06552	2.0
89.06017	1.6
91.05473	3.7
93.07037	9.6
95.04954	16.9
95.08604	11.0
97.02898	1.2
97.06536	1.4
97.10146	2.7
98.98452	100.0
99.04449	2.8
99.08064	2.4
100.98863	1.2
105.03391	1.4
105.07027	9.3
107.04911	1.0
107.08573	12.6
109.02866	6.4
109.06515	3.0
109.10141	32.1
111.08084	2.1
111.11762	1.6
113.05888	1.0
115.82923	0.8
116.99487	3.8
117.07015	2.0
119.08575	10.6
120.08019	0.9
121.02790	1.1
121.06453	2.0
121.10127	11.2
123.08098	2.3
123.11709	3.7
125.09612	8.6
127.03925	2.1
127.07565	1.0
127.11163	1.5
131.08516	3.1
133.10124	5.1
134.75011	0.9
135.08046	1.4
135.11624	7.5
136.53903	0.9
137.05983	1.7
137.09537	2.1
137.13289	1.0
139.07533	1.5
140.01085	1.7
141.05428	1.2
145.10100	6.1
147.11673	14.7
149.09628	1.8
149.13232	3.2
153.12741	6.0
157.10085	2.4
159.11678	2.5
161.09586	1.3
161.13254	1.7
165.12720	1.5
168.08929	1.0
171.11708	1.2
174.99210	3.2
175.11218	2.8
175.14825	3.2
176.98958	2.2
179.08574	1.5
179.10684	1.6
189.12701	1.5
189.16356	7.1
191.17972	2.2
193.12163	1.2
193.15874	4.2
195.07970	1.2
197.11711	2.0
199.14767	1.8
207.08253	1.2
207.17455	1.4
217.15836	7.6
217.19472	1.6
219.08012	1.3
222.10364	3.3
223.07539	1.9
224.08011	1.4
235.13306	1.7
235.16965	14.1
235.20593	1.4
237.09105	2.2
238.09851	3.7
253.08595	3.4
253.12157	5.4
253.14334	1.4
253.18054	5.2
253.21632	2.4
254.08116	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1794
Annotation	sch 725432
Peak:m/z	Relative Intensity
53.00292	2.1
53.03915	3.8
55.05486	4.4
56.10011	1.3
56.96536	1.1
57.07070	7.4
67.05486	6.5
69.03405	2.5
69.07043	4.3
69.56445	12.6
71.08599	5.0
72.08123	3.5
79.05466	3.6
81.03406	16.1
81.07058	5.7
82.06598	1.4
85.10168	2.5
93.07034	2.2
95.04925	3.3
95.08583	6.3
97.02866	2.0
97.06481	1.4
97.10087	1.2
98.98446	100.0
100.98859	1.3
105.03326	1.5
105.06977	2.5
107.08548	3.2
109.02853	44.9
109.10123	3.2
111.04414	1.4
116.99458	3.8
119.08540	2.9
121.10108	1.7
123.04391	2.8
133.10088	2.6
133.94695	1.2
140.01007	1.8
141.05450	1.6
159.33585	1.2
174.99149	2.5
176.98917	1.6
196.48947	1.1
197.11758	1.9
199.16833	1.5
235.16891	74.5
253.17992	5.7
253.23593	1.2
254.07964	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.9
53.03937	1.2
55.01850	1.6
55.05500	4.2
57.03413	1.3
57.07046	1.9
62.12278	0.7
67.05486	5.5
69.03412	4.0
69.07054	8.5
71.04961	1.5
71.08622	1.2
71.80939	0.9
78.04703	2.3
79.01836	2.0
79.05481	8.6
81.03404	5.4
81.07043	11.6
83.04962	1.5
83.08598	1.6
85.02876	1.2
85.06516	1.7
91.05437	6.6
93.07035	4.7
95.04964	4.0
95.08585	6.2
97.02872	2.4
97.06518	2.0
97.10156	1.7
98.98450	85.5
99.04413	2.6
99.08074	31.9
100.08418	0.7
103.05444	1.6
105.03362	1.1
105.07025	5.6
106.04167	1.0
107.01287	5.9
107.04939	17.2
107.08553	4.7
109.02866	9.7
109.10146	7.1
115.05453	1.6
116.99451	4.0
119.07296	2.7
119.08554	3.5
120.08051	0.8
121.02848	0.9
121.06472	1.6
121.10134	3.5
123.04410	6.1
123.08025	1.3
123.11667	1.5
124.05196	4.1
125.05954	1.7
127.03864	1.9
128.06241	4.1
129.06926	0.8
131.08582	1.7
133.06476	6.6
133.10095	4.4
135.08025	2.9
135.11668	1.5
137.05998	0.8
137.09583	1.4
137.13243	0.8
140.01125	1.5
140.04613	1.2
141.05473	1.0
141.06918	0.8
143.08528	10.4
145.06471	1.4
145.10120	1.6
147.04329	1.0
147.08008	2.3
147.11641	2.7
148.03917	3.6
149.09645	1.6
151.03871	1.9
151.07542	0.9
151.11043	0.8
152.04657	2.2
153.06886	0.9
155.07002	0.9
157.10039	1.4
159.08002	0.8
159.11691	1.2
160.08809	1.6
161.05972	2.0
161.09636	2.1
161.13203	1.5
163.07538	3.0
165.06798	0.7
167.07013	100.0
168.07352	2.6
168.08739	0.8
171.08052	6.4
173.05783	0.7
173.09644	0.8
174.99214	1.9
175.11159	4.1
175.14757	1.5
176.98892	1.8
177.12791	0.8
178.07730	0.7
179.08568	0.9
179.10597	2.1
180.07906	2.0
181.08566	2.9
189.09128	1.1
189.16508	1.5
191.08568	1.7
193.08594	1.8
193.12148	1.0
195.08461	0.8
195.10120	4.5
196.08426	1.1
197.05949	0.9
197.11740	2.6
198.09084	2.1
199.14755	1.3
203.10637	13.5
204.11095	0.9
207.08418	1.5
217.15843	2.0
217.19588	0.8
220.11053	0.9
222.10400	0.7
224.07750	1.1
226.08614	7.3
235.13254	51.4
235.16670	3.9
236.13608	2.0
237.09093	1.9
253.08652	1.1
253.12160	1.4
253.14148	3.4
253.18036	3.5
253.21648	1.4
254.08118	2.6
271.36121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.143
Annotation	Jasomontanone
Peak:m/z	Relative Intensity
53.03920	1.7
55.01854	1.0
55.05493	2.5
55.87077	0.5
57.03421	1.2
57.07053	1.6
62.74538	0.7
67.05488	3.0
69.03402	2.0
69.07059	4.6
71.04972	1.1
71.75655	0.9
78.04694	1.9
79.05479	5.8
79.57666	0.7
81.03391	1.4
81.07046	7.5
83.04964	0.9
83.08619	1.2
85.02849	1.0
85.06530	0.8
91.05463	2.7
93.07018	2.4
95.04935	1.8
95.08592	5.5
97.02865	1.0
97.06506	1.0
98.98450	63.0
99.04443	1.2
99.08076	30.3
100.98867	0.9
103.05439	1.2
105.07005	4.5
106.04160	1.2
107.04933	15.4
107.08549	1.1
109.02840	3.6
109.06507	1.1
109.10141	2.5
111.08059	1.0
115.05437	1.0
116.99476	2.5
117.07030	1.1
119.04957	1.0
119.08542	1.8
121.06515	1.3
121.10121	2.6
123.04422	5.5
123.07964	0.7
124.05190	3.3
125.05994	1.5
127.03877	0.8
128.06223	3.1
131.04897	0.7
133.06477	5.5
133.10083	1.4
135.08020	2.4
135.11588	1.7
137.05981	0.9
137.09567	0.7
140.00928	0.7
140.04689	1.3
140.10645	1.7
142.07745	1.0
143.08549	7.9
145.06438	0.6
145.10146	0.8
147.04416	1.0
147.08035	1.2
147.11629	1.3
149.13304	0.7
151.03906	1.2
151.07509	0.9
152.04640	3.0
154.06305	0.7
157.10054	0.7
160.08820	1.3
161.05939	1.5
161.09395	0.8
161.13243	0.8
163.07513	2.1
167.07008	100.0
168.07344	1.8
168.08838	0.8
168.10187	2.5
168.13855	2.1
171.08005	7.0
174.99178	1.9
175.11162	3.4
176.04623	0.7
176.98859	1.4
178.06131	0.7
181.08563	1.9
188.08331	0.8
191.07030	1.0
191.08574	1.1
193.08595	1.1
193.12221	0.9
195.10141	5.7
196.13307	2.1
197.11729	1.6
203.10638	12.4
204.11115	0.7
207.13663	0.8
217.12308	0.9
217.19331	1.1
219.07855	0.7
220.10777	1.1
224.07825	0.8
235.13245	50.0
235.20384	1.1
236.13596	1.7
237.09039	1.2
253.08685	1.4
253.11993	0.8
253.14302	2.4
253.19305	0.7
253.21703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09652	0.6
68.78126	0.5
70.77681	0.5
70.94594	1.1
70.94962	1.2
87.00809	2.9
91.05435	1.0
93.07003	1.3
103.05443	7.1
118.06508	8.3
120.08081	100.0
121.08408	2.2
124.34691	0.6
128.04968	1.1
131.04904	0.8
137.99702	0.5
142.04842	0.6
146.05978	16.8
146.07143	0.8
166.08650	2.3
176.54889	0.6
188.07033	18.7
192.06596	1.6
192.43222	0.6
206.08092	70.8
207.08429	0.9
234.07574	1.7
245.50085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01848	0.8
55.05496	0.8
57.03426	1.7
57.07060	2.0
58.06611	0.6
59.04993	1.9
60.08161	0.6
61.02925	1.7
67.05490	1.9
69.03423	6.2
69.07063	1.8
70.06582	1.8
70.19915	2.6
71.04991	0.9
72.08171	0.9
73.06544	100.0
74.06834	0.6
78.47402	0.5
79.05461	0.5
79.71408	0.6
81.03407	3.1
81.07034	3.0
82.06559	2.0
83.08621	0.9
84.04509	0.8
84.08125	1.7
85.02889	19.0
86.09686	1.3
87.04479	0.7
91.05459	1.5
91.07585	5.2
93.07038	1.5
95.04972	1.4
95.08570	2.7
97.02878	6.2
98.98450	93.1
99.04426	1.7
99.08105	0.7
100.98870	1.1
107.08552	0.8
109.02864	4.8
109.06466	1.0
109.10151	1.8
110.07161	2.4
116.99477	3.8
119.04886	0.6
119.08567	1.2
120.08080	1.1
121.02871	1.0
123.04389	1.6
123.11781	0.6
125.05956	0.9
127.03901	4.8
128.07051	1.9
133.10120	0.8
141.05478	1.3
145.04956	2.6
153.05428	0.8
155.73743	0.7
159.02986	0.7
162.05467	1.0
174.99188	2.1
176.98921	2.2
177.05421	0.8
180.08965	0.6
188.92470	1.2
190.12199	0.8
194.05287	0.6
194.09326	3.2
197.11736	3.6
217.19479	0.8
219.05032	0.6
220.18488	0.7
235.09665	0.6
253.08563	1.1
253.12013	1.0
253.15811	1.0
253.18137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1637
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
55.05499	3.7
57.07082	3.4
57.07313	0.6
59.04995	3.2
60.08843	0.6
67.05491	5.2
68.00819	0.7
69.03415	3.7
69.07063	3.4
70.32850	0.7
71.01341	0.9
71.04984	18.1
79.05470	4.8
81.07037	5.3
83.04980	4.3
83.08630	3.3
85.02903	0.9
85.06514	3.6
91.05467	5.1
92.88214	0.7
93.07018	4.7
95.04958	6.3
95.08588	6.2
97.06523	6.0
98.98454	100.0
103.05469	0.7
105.07008	5.5
107.04934	2.6
107.08575	7.5
109.06490	3.6
109.10162	5.5
111.04433	0.9
111.08069	3.2
113.06003	4.1
116.99464	3.1
117.07001	2.1
119.08567	10.9
120.08096	2.1
121.06481	2.4
121.10119	10.9
123.08039	5.4
123.11700	2.9
125.05981	6.6
125.09626	1.6
129.07039	1.0
130.07745	0.7
131.07080	1.2
131.08519	3.8
133.06586	0.8
133.10124	4.8
135.08025	2.2
135.11661	2.6
137.05988	0.7
137.09595	17.0
140.01080	1.9
143.08591	0.9
145.10120	7.9
147.08040	23.4
147.11676	5.9
149.09595	5.6
149.13202	0.6
151.07541	2.4
151.11150	1.3
151.14850	1.3
155.10583	1.0
157.10121	1.8
158.10941	0.9
159.11646	0.9
161.09650	1.1
163.11169	17.9
163.14780	1.4
165.09169	0.8
167.07016	1.9
171.11696	1.2
173.09601	1.5
173.13243	2.8
174.99225	5.4
175.11150	5.3
177.09145	1.5
179.14281	7.8
181.12166	4.4
187.14764	3.1
189.12724	1.4
191.08548	1.3
191.14272	3.2
193.12207	2.7
195.10141	1.7
197.13181	1.4
205.15886	2.3
205.98755	0.8
206.08118	1.1
207.13858	3.2
215.14270	4.7
219.07993	1.3
229.00238	0.8
233.11766	1.1
233.15338	23.6
233.18900	1.0
251.10686	2.9
251.16396	33.6
251.20192	1.4
252.16119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2114
Annotation	(-)-7-Hydroxy-beta-isosparteine
Peak:m/z	Relative Intensity
55.01853	0.4
55.05489	1.0
56.05026	3.2
57.07061	2.5
59.50037	0.3
67.05491	1.6
68.05001	1.1
69.04530	0.5
69.07059	1.3
69.89722	1.6
70.02943	3.1
70.06576	0.6
71.08628	2.4
79.05450	0.7
79.56336	0.3
80.05008	1.4
81.03381	0.7
81.04524	0.7
81.07043	1.6
82.02933	3.3
82.06568	1.6
83.03680	0.3
83.06081	0.3
83.08604	0.5
84.04484	0.4
85.10168	1.1
92.38570	0.3
93.07018	0.5
93.55373	0.2
94.06538	0.9
95.06085	0.4
95.08605	1.5
96.04482	1.5
96.08094	1.0
97.07642	6.3
98.06040	0.9
98.20781	0.5
98.98455	9.6
99.12842	0.3
107.06060	2.2
107.08584	0.4
108.04494	0.4
108.08077	0.2
109.10184	0.3
110.06012	1.6
119.06044	2.9
120.06824	0.6
120.08083	0.4
121.07630	0.5
125.07126	0.5
125.75357	0.2
133.07549	0.4
135.09143	0.7
147.09166	1.9
148.09933	15.1
149.10709	1.1
150.01184	0.3
161.10655	0.5
174.99234	0.4
180.17465	1.0
180.19868	0.2
194.18968	0.4
196.16963	0.5
197.95233	0.3
208.17096	0.4
222.18552	0.3
233.20097	29.2
234.20279	0.4
251.21155	100.0
252.21371	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08596	0.5
56.05019	1.0
57.00967	0.4
59.04996	0.4
62.74238	0.3
69.03402	0.4
69.07053	1.4
71.69142	0.7
77.01581	0.4
79.05486	4.7
81.03410	0.6
81.07047	0.4
83.08579	0.4
84.04493	29.6
84.08112	0.6
85.02904	0.8
85.14208	0.4
86.09711	1.8
87.04446	0.4
89.03857	0.6
91.05466	3.7
93.07031	1.1
95.04948	1.6
97.02902	0.6
97.06514	3.9
98.06856	1.1
98.98453	47.7
102.05503	0.6
103.05481	1.2
104.03459	4.3
105.07015	100.0
106.06553	2.2
106.07359	1.6
107.04942	7.5
107.08622	0.7
109.06492	0.7
109.31342	0.4
116.99489	1.1
117.03336	1.0
117.07090	0.4
119.04903	0.7
119.08518	0.5
119.30371	0.4
120.08063	1.0
121.06481	0.8
121.10136	0.5
122.09650	38.9
130.04988	3.6
131.04871	2.2
131.08620	0.7
135.08055	0.5
136.07588	0.6
137.05949	5.1
138.06198	0.8
145.02838	1.8
149.05981	1.6
151.11215	0.4
153.53864	0.4
163.03979	0.5
163.07515	0.5
165.07018	0.5
167.07086	0.7
167.08453	0.6
174.99200	2.9
177.05470	1.8
177.06934	0.7
189.09102	0.8
190.09389	0.6
191.08568	1.4
191.14288	0.5
192.06520	2.5
195.08015	1.1
205.13399	5.5
223.07483	1.3
233.05847	0.4
233.13229	0.4
234.11198	27.1
236.08299	0.9
251.07097	3.6
251.09036	0.6
251.10706	1.6
251.13951	17.2
252.06662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1274
Annotation	Norsecoglutinosone
Peak:m/z	Relative Intensity
52.14982	0.7
55.01861	2.0
55.05505	1.0
57.03427	20.8
67.05492	1.0
69.07067	4.0
70.15462	4.9
71.04974	0.9
79.05475	2.1
91.05466	17.3
97.06519	13.4
98.06848	6.8
98.20687	1.0
98.98453	41.8
101.58972	0.7
103.05446	1.4
105.06999	1.2
109.06509	1.6
111.47336	0.8
115.05430	2.3
116.99507	0.8
117.06998	1.6
119.04932	11.7
120.05292	1.0
120.08082	6.8
123.04382	1.0
129.88673	0.9
131.08559	1.3
137.05962	100.0
138.06294	7.8
143.04924	5.1
145.06474	2.4
148.04674	1.0
149.05963	2.7
159.08034	1.8
161.05972	15.6
163.03891	2.6
163.07573	1.5
164.04152	1.8
169.10051	1.9
173.05943	1.9
174.99225	3.0
175.07504	1.6
177.09045	2.8
187.11235	0.9
188.07036	1.0
189.09055	1.8
190.09412	1.6
191.07034	5.3
205.12254	1.1
206.08144	5.5
215.10680	5.5
223.07274	1.0
233.11707	32.4
234.12044	22.4
251.12613	8.9
251.14723	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1274
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
50.65682	0.6
55.05500	1.3
57.07061	0.6
58.06814	0.6
59.04989	10.4
67.05496	1.7
69.03403	0.7
69.07056	2.0
71.04988	2.0
71.78870	0.9
71.79247	0.8
78.04709	0.7
79.05482	4.7
81.07045	2.7
83.08602	0.7
91.05468	3.1
93.07013	2.4
95.04948	1.6
95.08581	1.6
97.06540	0.9
98.98449	100.0
103.05447	1.1
105.07016	5.9
106.04105	0.6
107.04936	12.1
107.08578	2.3
109.06466	0.7
109.10132	1.4
111.08064	1.0
115.05447	2.9
116.99456	2.8
117.06993	3.0
119.08572	3.2
121.06480	1.9
121.10122	2.0
121.24919	0.6
123.04415	1.6
123.08001	0.7
124.05166	3.4
125.05949	2.0
128.06244	1.6
129.07031	1.5
130.07759	2.7
131.04926	1.0
131.08553	3.4
132.05684	1.5
133.06493	2.5
133.10071	1.8
135.08011	2.2
135.11684	0.7
137.05928	0.6
137.09578	1.5
140.01022	1.6
140.23772	0.6
143.04878	0.7
143.08559	7.2
145.06483	3.6
145.10101	10.6
146.03627	0.8
147.08035	4.0
147.11711	1.1
148.28999	0.7
149.09579	2.9
151.03903	1.4
151.11066	0.6
152.04637	1.6
153.06976	0.7
155.08562	2.6
157.06464	1.0
158.07256	11.0
159.08002	1.7
160.05150	2.1
161.05948	3.5
163.11105	2.8
167.07016	46.8
171.08034	0.8
173.09593	20.6
174.99200	6.4
175.07510	6.9
175.11160	1.0
177.05481	2.2
177.09035	1.4
178.06253	7.1
181.04970	3.5
181.08476	3.0
183.09087	1.3
186.06747	2.0
189.09125	1.1
190.07738	0.7
191.08600	1.9
191.10660	2.9
192.07802	8.9
193.08583	4.7
195.06490	1.9
201.09074	31.5
203.07045	1.0
205.98830	0.8
207.06456	0.8
207.10112	6.1
215.14372	0.7
218.09331	0.9
219.08119	1.2
219.10051	7.0
233.11707	16.6
233.15334	2.7
236.08054	0.6
236.10318	1.2
251.10600	2.6
251.12743	37.0
251.16280	4.3
251.19960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1273
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
51.62217	0.7
53.00575	0.6
53.03928	1.0
55.05504	0.7
59.04990	13.6
67.05491	1.9
69.03424	1.2
69.07060	3.2
70.48797	0.7
71.04990	3.5
71.30866	0.9
71.31197	0.8
71.42643	0.8
78.04735	0.8
79.05487	6.5
81.07028	3.4
83.04973	1.8
91.05460	4.9
93.07034	2.6
95.04948	3.2
95.08597	3.3
97.06525	1.9
98.98452	100.0
99.04469	0.9
102.26118	0.7
103.05469	0.9
105.07014	4.8
106.07336	0.8
107.04939	15.3
107.08580	2.2
109.06490	1.0
109.10204	1.5
111.08112	1.1
113.05978	0.9
115.05448	3.4
116.99466	3.2
117.06951	3.5
119.08583	3.1
120.08089	1.0
121.06494	1.6
121.10101	3.3
123.04405	1.8
123.08080	2.0
124.05191	2.6
125.05970	2.8
128.06171	1.4
129.06996	2.7
130.07797	3.8
131.04890	0.9
131.08551	2.5
133.06477	3.4
133.10110	1.6
135.08058	1.8
135.11728	0.8
137.05989	1.1
137.09607	3.1
140.01114	1.3
141.06992	1.9
142.07758	1.0
143.04903	0.9
143.08548	8.8
144.05702	0.7
144.24791	0.7
145.06451	5.2
145.10097	14.1
146.03624	1.9
147.08015	7.6
147.11644	1.3
148.05185	0.8
149.09570	4.6
150.10449	0.7
151.03871	1.0
151.07549	0.8
152.04665	2.5
155.07101	0.8
155.08560	2.7
157.06482	1.3
158.07257	14.2
159.08034	2.1
160.05154	2.4
161.05965	4.4
163.11191	4.7
167.07019	62.1
169.06435	0.9
170.64281	0.7
173.09599	27.6
174.99211	5.6
175.07542	8.5
175.11182	1.2
177.09103	2.0
178.06238	8.3
179.08733	0.7
179.14304	1.2
181.04947	4.7
181.08525	3.5
181.12236	0.8
183.09239	1.5
186.06744	2.7
189.09102	2.4
190.09818	1.0
191.08601	1.8
191.10651	2.6
191.14204	1.0
192.07771	11.9
193.08583	7.8
195.06465	2.4
201.09081	40.1
202.09584	0.8
203.06990	1.1
207.06444	1.0
207.08278	1.2
207.10141	6.1
208.08875	1.1
209.08035	1.0
218.09363	2.0
219.08095	0.9
219.10109	7.6
223.13330	1.6
233.11708	18.7
233.15149	3.2
236.10376	1.6
251.10628	2.7
251.12761	51.7
251.16267	4.3
251.19901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01860	0.8
55.05494	0.4
57.03425	2.2
57.12561	0.5
59.05002	0.5
61.60466	0.5
61.71872	0.5
66.37229	0.4
67.05488	1.1
69.03414	5.9
69.07043	0.8
70.06554	1.0
71.04979	24.5
71.78036	0.4
72.08125	0.5
73.02872	0.8
81.03401	48.7
81.07041	0.6
82.03768	0.5
84.04485	0.7
84.08117	0.9
85.00230	0.5
85.02885	8.4
85.74101	0.4
86.09695	1.1
89.06022	3.0
91.05446	0.9
93.07017	0.9
95.04946	0.9
95.08602	0.5
97.02863	0.6
97.06496	0.5
98.98447	100.0
99.04428	4.3
109.02856	42.7
109.06453	0.5
109.10111	0.7
110.07161	1.0
116.99473	3.7
117.07004	0.6
121.06467	0.8
121.10062	0.6
123.04431	0.9
127.03889	5.8
134.05995	0.6
135.04385	0.6
136.06171	3.3
136.07559	0.5
140.01059	0.7
145.04945	1.9
147.04385	1.1
163.03928	1.2
163.06010	2.3
163.07277	0.6
174.99199	5.5
175.06244	0.7
176.54395	0.4
181.14134	0.5
188.06985	0.8
191.07004	0.6
191.14282	0.5
193.04953	0.6
193.08679	0.5
204.06520	1.3
205.98769	0.7
206.11816	0.8
207.02821	0.6
207.12056	4.2
215.09204	1.6
229.00163	0.5
233.08012	1.1
233.10089	6.0
233.12189	0.6
233.15233	0.7
234.07553	0.6
251.05118	1.2
251.07156	0.9
251.11211	1.1
251.14494	2.1
251.19951	0.6
252.08713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1062
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
59.04976	1.3
62.31256	0.2
67.05504	0.5
69.07048	1.1
70.07367	0.3
71.04971	0.3
71.33163	0.6
79.05479	0.5
81.07035	0.3
87.82201	0.3
91.05446	0.7
92.05782	0.3
93.06969	0.3
95.04963	0.7
97.06509	1.2
98.06812	0.7
98.98447	11.4
105.07027	0.4
117.09035	0.3
137.05960	2.0
138.06313	1.9
141.06982	0.4
145.06451	0.4
149.05937	0.5
152.06238	0.4
153.06976	0.6
165.06973	5.0
166.07698	0.9
167.07126	0.5
167.08575	1.2
173.05931	0.3
177.06912	1.9
178.07675	1.6
179.07085	0.6
179.08536	3.5
180.09288	3.2
181.04872	0.5
181.06425	0.6
189.06941	4.2
190.07741	14.8
191.08519	64.2
192.08884	1.7
193.06497	0.8
193.10089	0.5
194.07260	2.5
195.08018	3.0
201.06946	1.7
202.07706	1.0
203.08530	0.8
205.06413	1.7
205.10069	1.6
207.08028	1.6
208.08783	9.0
215.10641	0.3
217.06519	0.8
218.07271	2.9
219.08008	65.0
220.08589	3.4
221.09485	0.9
223.07480	0.8
223.11163	0.9
229.07564	4.4
233.11674	1.3
233.15346	0.3
234.12022	2.6
235.07486	0.8
236.08278	13.7
237.08667	0.4
251.10629	100.0
252.10973	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62881	0.2
53.24675	0.2
57.07059	0.3
59.04988	0.3
64.37515	0.2
67.05484	0.5
69.07062	0.4
71.02846	0.7
74.18908	0.2
74.51991	0.2
75.87315	0.2
79.05492	0.4
81.07056	0.6
83.04958	0.4
91.05475	0.3
91.61652	0.2
93.07031	0.4
95.04947	0.4
95.08604	0.5
97.06520	0.3
98.98447	36.6
105.07027	0.3
107.08611	0.3
109.10146	0.6
116.99489	1.4
117.07034	0.4
119.08562	0.4
121.10174	0.3
123.08091	0.2
124.88094	0.2
131.08533	0.3
135.08012	0.4
140.01047	0.5
140.06161	1.0
140.12723	0.2
143.07272	0.5
145.10284	0.3
149.09615	0.4
152.06174	0.4
153.01889	0.3
166.06439	1.1
167.07271	31.9
168.05684	4.9
168.07751	0.5
170.05956	0.6
171.06789	1.7
172.53999	0.2
174.99170	2.2
180.05664	0.3
182.05934	1.5
191.08519	0.5
191.10663	0.2
194.06004	2.4
195.06752	14.7
196.05154	1.5
196.07458	0.5
198.05440	1.9
199.06261	2.8
201.08923	0.4
208.08862	0.3
210.05466	1.7
219.08102	0.4
222.05496	1.1
223.06213	3.6
233.15225	0.4
233.82037	0.2
236.08260	0.4
251.05731	100.0
252.06346	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	250.216
Annotation	dendrobane
Peak:m/z	Relative Intensity
53.03948	0.3
55.05489	1.0
57.07067	2.7
59.04982	0.3
67.05486	1.2
69.07040	0.9
70.06572	0.6
71.08622	2.3
71.79356	0.4
79.05481	1.5
80.04986	1.1
80.97279	0.3
81.07038	2.1
82.06582	0.3
84.64571	0.2
85.10156	1.1
86.06049	0.4
88.07600	0.3
93.07015	0.4
94.06543	1.3
95.04952	0.3
95.07370	0.3
95.08588	1.5
96.08121	5.1
97.06472	0.4
98.06033	0.8
98.98450	21.3
106.06537	7.7
106.07262	0.4
108.08110	0.4
109.10090	0.3
116.99483	1.2
118.06516	0.5
120.08097	2.0
121.95483	0.3
124.07556	1.0
134.09616	0.6
136.07559	1.1
137.08302	0.3
138.05414	0.3
138.09113	0.5
140.01036	0.5
148.61453	0.3
169.13010	0.3
174.99179	1.4
177.11345	0.3
191.08571	0.5
219.08102	0.3
232.20564	4.1
249.68738	0.4
250.10609	0.7
250.21622	100.0
251.10689	0.6
251.22047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.8
59.04989	0.5
67.05488	1.5
69.07054	20.0
70.65218	2.3
77.32647	0.5
79.05481	6.9
83.04929	0.6
91.05467	18.8
95.04940	0.6
97.06514	37.3
98.98429	5.1
107.04956	1.0
109.06519	2.1
117.63770	0.6
119.04928	14.4
133.48807	0.5
135.04413	0.7
136.05167	1.4
137.05954	100.0
138.06326	0.7
138.10606	0.5
147.04367	0.7
149.05821	0.6
163.03854	2.2
179.08452	0.6
189.06984	0.7
189.09085	1.3
190.07721	3.5
191.08533	11.3
205.87546	0.7
208.08794	1.1
215.10696	1.5
219.07988	6.9
220.08694	1.0
233.11690	80.3
234.11971	2.3
235.07428	0.7
236.08237	2.5
250.14328	8.1
251.10646	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	250.1434
Annotation	Peyophorine
Peak:m/z	Relative Intensity
51.50071	0.4
61.02921	0.7
67.83465	0.4
69.03414	1.9
70.06577	1.5
71.05333	1.0
71.05685	0.5
72.94852	0.4
81.03420	0.6
84.08116	1.5
85.02892	10.8
88.07617	78.0
97.02892	1.7
98.98450	7.0
109.02872	1.0
113.73946	0.4
127.03930	1.7
128.06230	0.7
131.04947	0.6
131.08557	0.7
143.08533	1.6
145.04939	1.1
146.27596	0.4
147.04337	0.6
149.05959	0.6
159.08052	1.4
160.05200	1.1
160.11192	1.2
161.05956	2.9
162.05476	1.4
163.06215	0.8
164.07063	3.4
171.08038	1.4
174.99243	0.6
176.07065	0.5
177.07823	25.7
178.08327	0.5
179.81573	0.4
188.10664	1.9
189.09151	1.9
204.10201	1.1
206.11739	100.0
207.12010	0.9
215.10641	0.5
232.09515	0.5
250.14377	37.6
251.14838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01843	2.2
55.05491	1.4
57.03411	0.8
67.05479	2.0
69.07060	8.8
70.85399	1.8
79.05484	9.0
81.25311	0.6
83.04966	2.0
91.05468	8.1
93.07034	1.1
95.04949	1.6
97.06518	66.9
98.06824	0.8
98.98468	8.2
103.05444	1.2
107.04936	3.0
115.05431	0.7
117.07011	1.1
119.04914	5.0
121.06490	1.5
131.04884	1.0
131.08521	0.8
133.06447	1.6
135.04395	5.8
137.05963	44.4
141.06924	1.3
142.85081	0.7
145.06458	1.0
147.04384	3.7
149.05988	7.7
154.07762	1.0
159.07985	0.7
161.05901	0.7
163.03882	42.1
163.07541	2.5
164.04202	0.8
167.06960	2.9
169.10101	1.5
173.05916	1.6
177.05414	0.9
179.07024	0.9
179.08455	1.4
181.04950	5.3
181.06413	0.9
186.06757	0.9
187.07507	1.2
187.11136	1.3
189.07368	0.9
189.09087	6.3
190.07222	1.1
191.06947	1.6
197.09619	0.9
200.08321	0.8
205.12195	1.0
207.08031	2.2
215.10649	6.5
218.06801	1.6
233.11700	100.0
234.12088	1.5
235.07526	4.7
250.10005	6.2
250.14351	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	250.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
57.03433	0.8
59.21229	0.5
61.02913	0.7
64.57542	0.4
67.45345	0.4
69.03410	2.9
70.06566	1.5
71.13149	1.3
72.08160	0.5
81.03410	0.6
84.08126	1.7
85.02368	0.7
85.02890	14.6
88.07613	100.0
89.07932	0.6
97.02885	2.4
98.98455	5.8
99.04426	0.6
109.02867	1.6
123.04408	0.5
127.03893	2.6
131.08542	0.8
143.08568	1.5
145.04953	1.3
145.06403	0.4
159.08054	1.4
160.05199	0.8
160.11203	1.2
161.05969	2.2
162.05473	1.0
164.07063	3.1
167.15709	0.4
171.08032	1.7
174.33447	0.5
174.99159	0.6
175.30280	0.4
177.07820	20.1
188.10735	1.1
189.09126	2.3
204.10229	1.1
206.11728	80.7
207.12074	1.0
232.09608	0.9
250.10626	1.3
250.14377	30.3
251.14793	0.5
260.70328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76995	0.2
55.01855	0.4
57.07064	0.2
57.10156	0.2
58.06597	0.2
60.29644	0.2
67.23377	0.2
69.07045	0.5
69.89254	0.2
71.78931	0.2
72.08140	0.7
76.96778	0.2
79.05482	0.3
84.08124	0.7
84.98947	0.2
88.07619	0.2
90.35760	0.2
91.05473	0.4
95.08560	0.3
97.06516	0.5
98.98445	6.7
116.99478	0.2
119.04953	0.3
121.06490	0.6
129.36659	0.2
130.70085	0.2
137.05969	1.4
165.06993	1.1
168.37466	0.2
174.99187	0.4
177.06969	0.4
178.07733	7.8
179.08527	26.9
180.09012	0.4
181.06485	0.2
189.06966	3.6
190.07668	0.6
190.21381	0.2
191.08485	1.2
192.09314	0.2
193.06454	1.2
193.10179	0.7
194.07294	0.3
194.10788	0.3
197.65048	0.2
201.57014	0.2
203.08476	0.4
204.09172	0.3
205.06421	0.6
205.10168	0.4
207.08017	32.3
208.08629	0.7
217.06436	4.8
218.07191	1.3
219.07898	0.5
221.05966	0.8
221.09555	0.9
222.10393	0.7
226.87227	0.2
233.09561	0.3
233.11642	1.7
234.06836	0.3
235.07492	77.9
236.07928	1.1
249.09067	2.1
250.09843	100.0
251.10329	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1482
Annotation	[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
Peak:m/z	Relative Intensity
53.03933	3.6
55.05502	6.0
57.03421	2.7
57.07055	1.9
58.06575	1.6
59.04987	2.7
67.05494	11.9
69.03417	9.9
69.07050	3.1
70.13042	4.3
71.04976	2.9
75.04462	7.4
77.03918	1.1
77.46482	1.0
79.05482	15.1
81.03419	1.6
81.07042	24.5
83.04981	5.4
83.08611	1.5
90.31543	1.0
91.05461	24.9
93.07027	100.0
95.04946	12.3
95.08590	16.9
97.06519	2.8
103.05472	3.1
105.04498	1.3
105.07011	19.8
107.04951	2.6
107.08569	29.0
109.02857	1.7
109.06497	15.8
109.10144	7.9
111.08063	10.5
115.05479	1.3
117.07009	3.4
119.08567	30.7
121.06487	33.3
121.10121	41.8
123.08052	7.8
125.05966	1.6
128.06200	2.8
129.06998	4.0
130.07582	0.9
131.08559	8.0
133.06517	2.0
133.10109	11.4
135.08054	11.6
135.11659	4.8
137.05937	1.5
137.09596	2.9
139.07487	1.5
141.06950	1.9
142.07773	2.1
143.08554	3.8
145.06416	1.0
145.10066	5.3
147.08017	20.5
147.11653	8.0
149.05983	4.0
149.09624	7.8
151.07500	2.0
151.13881	0.9
156.09428	1.0
157.06439	1.2
157.10126	1.8
159.08000	4.7
159.11714	2.5
161.06026	1.6
161.09604	7.6
161.13245	7.9
163.11130	1.1
163.14801	15.5
165.05428	5.8
165.06737	1.1
165.09070	1.0
170.07401	1.2
170.10846	1.1
171.08054	2.1
171.11671	1.9
172.08739	1.3
173.09581	1.1
174.06786	1.1
175.07495	10.4
175.11142	1.8
175.14774	15.2
175.75519	1.0
179.08536	1.6
180.09244	1.6
184.48338	1.0
185.13248	5.4
187.07462	2.0
189.09065	3.4
189.12709	3.3
198.10271	1.1
203.07144	1.3
203.14293	11.2
204.07802	1.3
205.15846	1.6
207.08160	1.9
210.75038	1.0
213.12714	7.4
231.10078	1.3
231.13776	11.7
235.07504	3.8
249.08896	2.1
249.11215	17.3
249.14848	23.8
249.18507	1.1
250.09811	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	249.1117
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
55.05493	1.3
57.03413	0.8
57.07045	2.1
59.05006	4.2
60.56530	0.8
67.05487	1.9
69.03416	1.4
69.07030	0.9
70.63595	0.6
71.10448	0.8
71.10794	1.6
79.05471	2.5
81.07027	3.0
91.05466	6.0
93.07043	1.5
95.04944	1.3
95.08577	3.2
97.02870	1.5
103.05440	1.2
105.07001	4.1
107.04911	2.0
107.08566	1.3
109.06500	1.0
109.10120	1.0
115.05433	2.7
115.11063	0.9
116.06202	2.6
117.06976	3.3
119.04938	1.0
119.08558	2.4
121.06486	1.5
121.10114	1.5
123.04428	1.0
123.08063	0.8
128.06197	5.8
129.06981	16.9
130.07733	1.1
131.04915	1.2
131.08540	14.5
132.05687	1.4
133.06462	3.0
133.10107	1.9
135.11650	1.0
137.09619	1.0
141.06943	6.7
142.07730	3.8
143.04970	1.1
143.08543	3.6
144.05673	7.4
145.06424	4.9
146.07242	3.0
147.04379	1.3
147.08000	1.4
153.06993	1.8
155.06010	1.1
157.06485	6.3
158.07169	2.4
159.08034	21.1
160.05185	1.3
161.05966	3.1
161.09602	8.2
167.06961	0.9
169.07632	1.5
170.07253	7.1
171.07996	4.8
172.05200	3.1
173.06007	3.6
174.06714	1.8
175.07512	2.3
178.06181	0.9
187.07520	16.4
188.08289	1.4
189.05502	3.9
189.07436	1.0
189.09076	8.9
190.06227	1.1
191.07013	1.8
193.08633	2.2
198.06746	1.6
199.07445	1.8
201.05354	1.0
203.06995	6.8
204.07777	10.8
205.08481	1.1
206.09344	1.0
216.07785	2.5
218.09303	2.0
219.10199	1.6
221.07961	0.9
221.11684	1.9
222.05464	0.9
231.06528	1.5
231.10139	7.1
231.13721	1.8
234.08882	1.0
249.11188	100.0
249.15073	3.1
249.18425	2.8
249.25230	3.2
250.11508	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1117
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
57.03432	0.5
59.04977	1.9
69.11111	0.5
70.00819	3.3
91.05470	3.7
99.60528	0.5
105.06987	3.0
107.04950	1.1
107.82975	0.5
111.53510	0.6
115.05411	3.1
115.45174	0.5
116.06232	2.7
117.06977	2.3
128.06201	6.3
129.06981	16.6
130.07797	0.8
131.04913	2.1
131.08537	13.8
132.05666	1.0
133.06451	2.1
133.10089	1.8
139.05327	0.5
141.06941	6.8
142.07751	3.1
143.08531	3.4
144.05690	8.1
145.06493	5.0
146.07242	3.2
147.04321	0.9
152.06140	0.6
153.06958	1.5
156.05652	1.4
157.06441	6.6
158.07210	2.1
159.04408	0.7
159.08022	21.8
160.05206	0.7
161.05975	3.2
161.09599	5.6
167.06964	1.1
169.06389	1.2
169.07631	1.4
170.07248	8.3
171.04364	1.0
171.08026	6.0
172.05156	2.9
173.05940	3.2
174.06693	2.3
175.07506	2.3
178.06242	1.4
184.05135	0.7
185.06052	0.8
186.06725	0.7
187.07512	14.3
188.08212	1.1
189.05426	2.3
189.09085	7.1
190.06212	1.0
191.07056	1.0
198.06750	1.4
199.07498	2.7
201.05435	1.3
203.06981	4.2
204.07777	10.4
205.08482	1.3
206.09277	1.2
216.07811	3.0
217.08533	0.8
218.09364	1.2
218.19357	0.6
219.10159	1.7
221.08089	0.9
221.11725	2.3
231.10162	5.2
231.21776	0.5
234.08842	1.0
249.11182	100.0
250.11562	2.8
250.73233	0.5
257.32080	0.5
263.70990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
51.39535	0.3
55.01847	0.4
57.03429	0.3
59.04991	1.9
67.05488	0.8
70.91714	1.0
78.04732	0.3
79.05491	0.5
79.24299	0.3
81.07030	0.4
83.77901	0.3
89.29361	0.3
90.01886	0.3
91.04976	0.5
91.05472	5.0
93.07014	0.3
94.39845	0.3
95.04940	0.5
95.08569	0.4
97.02871	0.6
103.05481	0.8
105.06992	2.1
105.93123	0.3
107.04939	1.6
115.05430	3.6
116.06215	2.4
117.06976	2.2
119.04940	0.6
119.08537	0.8
121.06470	0.4
128.06186	6.6
128.07053	0.6
129.06981	15.4
130.07767	0.6
131.04919	1.3
131.08543	14.3
132.05664	1.2
133.06447	2.4
133.10138	1.6
141.06969	7.9
142.07745	3.2
143.04878	0.5
143.08539	3.3
144.05672	7.1
145.06464	4.9
146.07225	2.7
147.04408	0.7
147.08026	0.6
147.11656	0.4
152.06143	0.7
153.06981	1.9
155.05998	0.8
156.05644	1.1
157.06470	8.0
158.07242	1.6
159.04422	0.6
159.08025	24.3
160.05135	1.2
160.08603	0.6
161.05956	3.1
161.09599	5.7
167.07036	0.8
169.06433	1.3
169.07750	1.5
170.07228	6.6
171.04373	0.8
171.07993	6.2
172.05135	2.4
173.05940	3.1
174.06726	2.1
175.07524	2.5
177.05409	0.5
178.06192	0.9
185.05981	1.1
186.06721	0.7
187.07506	13.8
188.04643	0.6
188.08205	1.0
189.05440	3.1
189.07428	0.7
189.09062	7.5
190.06139	0.9
191.06996	1.2
192.07813	0.5
193.08556	0.8
198.06714	1.0
199.07495	2.1
201.05434	1.2
202.06050	0.4
203.07008	5.6
204.07776	10.7
204.09726	0.6
205.08434	1.6
206.09352	1.0
216.07782	3.9
217.08435	0.9
218.09480	1.5
219.06551	0.4
219.10141	1.7
221.08051	1.1
221.11673	3.6
231.10132	5.0
234.08855	1.0
249.11174	100.0
250.11414	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1117
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.77374	0.4
57.03416	0.6
57.07038	0.6
59.04972	1.0
61.83359	0.4
67.05483	1.1
69.03424	1.1
69.07063	0.4
71.81030	0.6
78.46409	0.4
79.05456	0.7
81.03372	0.7
81.07034	0.6
83.08587	0.5
90.60746	0.4
91.05459	4.6
93.07031	0.7
95.04935	2.0
95.08558	1.0
97.02888	0.8
103.05451	0.9
105.07008	2.9
107.04945	1.8
107.08577	0.8
108.31605	0.4
109.10129	0.6
115.05433	3.2
116.06219	2.1
117.07015	2.5
119.04879	0.7
119.08556	0.6
123.04357	0.7
125.43978	0.5
125.86093	0.5
128.06197	7.6
129.06979	17.2
130.07751	0.5
130.68948	0.4
131.04875	1.1
131.08543	15.9
132.05681	1.0
133.06465	2.8
133.10078	1.3
141.06972	6.5
142.07762	3.1
143.04817	0.7
143.08536	2.5
144.05678	6.7
145.06465	4.8
146.03552	0.8
146.07268	3.2
147.04379	1.2
147.07962	1.1
152.06160	0.7
153.06975	1.5
155.06010	0.8
156.05710	1.2
157.05258	0.8
157.06459	7.9
158.07219	2.1
159.04373	0.6
159.08029	23.0
160.05141	0.9
160.08482	0.5
161.05959	2.7
161.09575	6.1
161.79002	0.5
167.07007	0.9
169.06401	1.5
169.07634	1.2
170.07239	5.8
171.04419	1.1
171.08037	5.0
172.05151	2.5
173.05966	2.7
174.06726	1.9
175.07512	2.1
175.08873	0.5
178.06200	0.9
185.05922	0.9
185.09740	0.4
186.06636	0.8
187.07512	14.9
188.08127	1.1
189.05492	2.6
189.09068	7.3
190.06137	1.0
191.07011	1.3
192.07823	0.5
193.08614	0.9
198.06735	1.5
199.07507	2.3
201.05418	1.5
203.07004	5.9
204.07771	11.1
205.08522	1.4
206.09369	1.2
207.13718	0.5
216.07729	3.2
217.06520	0.5
217.08487	1.0
218.09380	1.2
219.10123	1.5
221.08083	0.8
221.11661	3.5
231.10124	5.6
231.13580	0.6
234.08806	0.7
241.69328	0.6
249.11180	100.0
250.11664	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	249.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56676	3.3
51.31792	3.3
62.31546	2.8
63.20358	2.7
67.17249	2.8
68.07722	4.0
70.54636	12.8
81.56043	3.2
85.19755	3.0
94.92999	100.0
98.21394	3.1
138.03261	2.8
145.67261	3.1
150.91940	4.1
206.88512	27.6
222.60429	2.8
248.89647	27.4
249.03661	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1276
Annotation	Securitinine
Peak:m/z	Relative Intensity
55.01874	0.4
57.07088	0.5
57.14760	0.3
67.05457	0.6
69.03431	0.5
69.96137	0.8
69.96545	1.5
79.05485	1.0
80.05006	2.3
81.03383	1.8
87.04463	0.4
91.05451	0.5
94.06555	4.4
95.03680	0.4
95.06750	0.8
95.07333	12.0
97.06530	1.3
104.05006	0.3
106.04156	0.6
106.06562	0.7
108.04455	2.6
109.02868	1.5
109.65303	0.3
110.06010	0.5
115.52567	0.3
118.06518	0.4
122.06007	27.5
123.06792	20.2
126.09974	0.5
131.08559	0.4
133.05159	0.4
134.05988	1.3
135.54497	0.4
145.10109	0.4
148.07523	0.9
150.05479	25.0
151.06258	100.0
152.07069	3.0
159.08020	0.5
162.05479	1.7
164.07057	0.5
174.09167	0.5
176.10683	0.6
188.07034	0.6
202.08597	0.5
204.10182	2.7
220.13297	1.4
230.13733	0.5
231.10193	0.5
248.09169	3.0
248.12781	46.9
249.13080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1324
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03917	4.4
55.05481	4.7
56.96557	1.5
57.07054	3.5
65.03907	5.5
65.65112	1.4
67.05484	3.2
69.03423	17.7
69.07040	1.3
69.45878	14.9
72.08081	1.6
79.05482	7.1
81.07040	9.1
83.04556	1.8
83.04963	17.1
85.02890	2.6
91.05466	49.6
93.03368	2.2
93.07027	14.6
95.04940	6.8
95.08566	1.7
97.02889	7.4
98.97559	6.5
105.07004	10.2
107.04911	4.3
107.08571	14.8
109.02847	18.2
109.06501	13.3
109.10146	3.9
111.04414	5.8
116.98582	3.3
117.07006	9.0
119.08560	15.0
120.84921	1.5
121.02834	2.9
121.06480	17.1
121.10100	6.7
122.07409	1.6
123.08023	2.5
127.03938	1.5
128.06197	2.9
129.06978	6.1
130.07710	1.4
131.08543	15.5
133.10100	10.3
135.08028	29.0
137.05949	7.5
137.09560	2.7
141.06956	1.4
143.08521	9.7
144.09335	9.7
145.06502	9.4
145.10097	12.3
146.07207	1.7
147.08022	6.8
149.05809	1.5
149.09592	21.5
150.10339	3.1
151.11189	2.9
153.06984	2.7
155.08482	5.6
157.01637	2.5
157.10104	3.5
158.10887	14.8
159.08041	11.2
159.11671	27.2
161.09547	6.2
163.07523	19.6
163.11107	3.8
165.09026	1.8
167.95743	1.4
168.09338	4.5
169.10005	1.8
170.10876	5.5
171.08025	6.3
172.08821	15.2
173.05997	1.7
173.09599	28.9
173.13228	42.0
174.13631	1.6
181.06421	1.9
183.11646	7.4
185.09677	1.6
185.13242	2.6
186.10382	21.7
187.11145	100.0
188.11552	1.9
189.09052	2.5
191.07016	25.3
196.08772	5.3
201.12712	66.2
201.14615	3.1
203.14243	2.1
205.12222	9.5
211.11101	11.9
214.09886	2.2
218.54765	1.5
219.13689	7.1
229.12204	67.7
230.12413	1.7
233.05888	2.3
243.01830	1.8
247.05879	5.8
247.13235	63.6
248.13052	3.2
261.02679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	4.5
69.07053	6.1
71.04977	3.0
71.78780	0.7
71.79173	0.7
75.04454	0.7
75.75691	0.6
81.07040	2.5
84.04467	0.6
85.06493	0.7
93.07011	1.4
95.04958	7.3
95.08604	4.5
102.31882	0.6
105.06992	0.9
109.10136	100.0
119.08566	4.5
121.06528	2.3
123.11682	13.8
127.11172	37.9
131.42447	0.6
133.10101	5.4
137.09593	9.2
143.08553	1.2
151.11136	3.5
155.10651	4.2
161.09605	8.0
169.12265	1.3
173.11710	11.4
179.09439	0.4
179.10643	22.4
183.13788	1.8
197.11697	50.4
198.11980	0.6
211.11186	1.1
211.13255	19.7
229.14299	5.9
246.20650	0.8
246.24280	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1284
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
55.05503	5.8
56.05031	2.9
56.96553	0.5
57.03436	0.6
59.04964	0.4
60.04495	0.5
60.63346	0.4
64.11877	0.4
67.05490	1.6
69.03416	1.6
69.07050	0.5
70.06581	1.3
70.13428	2.4
70.13783	0.7
71.04977	1.0
72.08144	100.0
73.02898	0.7
73.08490	0.9
75.79293	0.4
79.05486	1.0
81.03394	1.1
81.07047	0.5
83.01342	0.6
83.04961	1.0
84.04491	63.2
84.08131	1.1
85.02897	3.0
85.04814	0.7
85.06513	1.6
86.09705	0.8
88.03991	0.5
89.03906	0.9
91.05461	0.9
92.64718	0.5
93.07068	1.1
94.06551	0.5
95.04945	0.8
95.08601	0.4
97.02887	1.1
97.06504	1.2
98.21464	0.4
98.98442	0.8
99.04395	0.5
102.05573	2.4
105.07002	0.7
107.04961	0.6
107.08576	0.6
109.06520	0.5
111.04450	1.1
116.97249	0.5
117.06995	0.8
118.08639	60.2
121.06488	0.5
123.04412	0.8
127.03918	1.3
129.10176	0.5
130.04984	12.9
130.08656	0.5
131.08563	0.7
134.03564	0.5
135.04424	2.2
135.08084	0.5
138.05426	0.5
138.09120	1.6
139.83865	0.5
145.10133	0.6
148.05995	1.1
150.05533	0.8
153.01773	0.9
153.05585	0.6
156.10179	5.2
159.07994	0.9
159.11674	0.6
161.04655	0.4
163.02612	0.7
163.03839	3.7
164.04158	0.4
165.51337	0.4
170.52255	0.5
175.03877	2.0
183.11453	0.5
184.09668	18.0
187.11127	1.0
191.06929	0.5
193.01721	0.5
197.02896	0.5
201.04051	0.5
201.12558	0.7
202.08766	0.5
203.11136	1.1
229.08632	0.9
229.11908	1.5
230.07948	0.7
230.10210	12.9
247.05914	1.5
247.09920	1.4
247.12889	22.8
248.13028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.138
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01854	5.1
55.05504	67.7
57.03431	25.6
57.07068	3.9
62.22971	2.2
64.33749	1.8
67.03178	1.8
67.05495	16.7
69.03403	6.6
69.07066	11.3
69.60767	18.6
69.64321	1.8
70.43223	1.8
71.08618	1.7
79.05094	2.0
79.05487	16.6
81.07042	18.9
83.04967	6.6
83.08608	47.3
85.06509	2.4
86.66705	2.0
87.04463	3.2
91.05478	8.7
93.07019	7.0
95.08596	2.1
97.10156	100.0
102.61795	1.7
105.07008	4.6
107.08577	23.8
109.10139	4.7
111.08070	3.5
115.03905	2.2
117.07027	3.4
119.08554	4.3
123.79647	1.7
125.09618	82.3
131.08585	1.8
133.10115	3.9
135.08060	8.2
140.19034	1.8
142.03168	4.1
143.10591	2.8
148.11900	2.5
153.09045	4.5
171.10135	7.7
189.11191	94.2
215.72336	2.0
245.04408	4.4
245.13820	90.3
245.19058	3.0
245.22627	7.8
246.14131	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.1
55.05504	67.7
57.03431	25.6
57.07068	3.9
62.22971	2.2
64.33749	1.8
67.03178	1.8
67.05495	16.7
69.03403	6.6
69.07066	11.3
69.60767	18.6
69.64321	1.8
70.43223	1.8
71.08618	1.7
79.05094	2.0
79.05487	16.6
81.07042	18.9
83.04967	6.6
83.08608	47.3
85.06509	2.4
86.66705	2.0
87.04463	3.2
91.05478	8.7
93.07019	7.0
95.08596	2.1
97.10156	100.0
102.61795	1.7
105.07008	4.6
107.08577	23.8
109.10139	4.7
111.08070	3.5
115.03905	2.2
117.07027	3.4
119.08554	4.3
123.79647	1.7
125.09618	82.3
131.08585	1.8
133.10115	3.9
135.08060	8.2
140.19034	1.8
142.03168	4.1
143.10591	2.8
148.11900	2.5
153.09045	4.5
171.10135	7.7
189.11191	94.2
215.72336	2.0
245.04408	4.4
245.13820	90.3
245.19058	3.0
245.22627	7.8
246.14131	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1281
Annotation	Peganidine
Peak:m/z	Relative Intensity
53.58770	0.3
55.05483	0.7
55.33715	0.3
65.22429	0.4
67.05486	0.5
68.99760	0.8
69.03415	0.6
69.07029	0.5
70.06556	1.5
71.81097	0.4
71.81468	0.5
72.08122	0.5
72.93782	2.1
72.94096	0.3
79.05466	0.7
80.90332	0.4
81.03416	0.4
83.04935	1.3
84.04480	0.5
84.08101	1.8
85.02884	1.0
86.09705	2.5
87.04420	0.9
90.94785	1.3
91.05466	1.0
93.07011	0.7
95.04938	0.6
97.02863	0.4
101.18670	0.4
103.05466	0.4
105.07034	0.4
107.04954	0.5
108.95810	0.7
109.06466	0.4
109.10109	0.4
115.03921	1.1
115.05418	0.5
117.07015	0.5
120.07980	0.4
124.07544	0.4
128.06255	0.4
130.06506	0.5
131.04871	0.5
131.08591	0.5
132.08040	0.8
135.04355	1.5
136.05154	0.5
139.03908	0.5
142.03175	1.0
143.04877	0.6
144.08096	0.6
147.04366	0.6
149.96045	1.5
155.01590	0.5
155.04906	0.7
157.07637	0.7
157.08826	1.4
158.09639	0.6
159.09193	0.4
161.05974	0.7
163.03897	3.0
167.07253	1.6
167.97125	1.7
169.07619	1.1
170.08293	0.6
171.04477	0.8
171.09099	1.0
172.09912	3.5
172.11171	0.6
172.97644	1.7
175.03944	0.4
181.04869	0.4
181.06474	0.7
182.09676	1.0
183.09152	4.0
183.10399	0.7
184.09917	6.0
185.10675	2.4
186.11481	1.5
189.05394	0.5
190.98720	0.9
193.28316	0.4
197.10710	5.1
198.11505	5.6
199.03915	1.3
199.07373	1.1
199.12282	69.9
200.12981	2.3
201.13750	1.0
203.10489	0.5
203.12791	0.4
217.04958	0.6
227.11757	100.0
228.12134	1.2
229.09744	1.9
230.10501	2.9
242.93239	0.5
245.04410	23.9
245.12833	64.2
246.04858	0.8
246.13107	0.9
246.99190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12763	1.0
69.03405	2.1
70.47489	3.1
72.93767	2.6
77.00880	0.9
81.03403	1.8
82.99848	1.5
83.35658	0.9
85.70345	0.8
86.99335	1.9
87.04386	0.9
88.90100	0.9
90.94796	2.8
97.02886	2.8
101.00854	14.3
102.89842	0.9
103.00599	1.1
103.33632	0.8
105.00325	2.9
109.02850	0.9
113.00874	2.7
115.02413	2.6
119.01904	62.6
120.01972	5.4
121.01655	4.5
127.03893	1.5
129.03973	1.3
131.01881	16.7
131.05438	1.0
131.97437	0.8
133.03474	7.4
137.02936	16.2
138.03035	1.2
139.02579	1.6
142.03438	1.8
143.01875	22.9
145.03429	11.4
147.01361	3.1
147.04956	1.4
149.02928	4.6
149.06514	1.1
149.96075	2.8
155.01854	4.8
157.03453	17.0
158.03714	1.0
159.01375	0.8
161.02936	100.0
162.03128	4.4
163.04509	2.6
167.01857	1.1
167.97148	4.1
169.03468	2.1
171.05252	1.1
172.97701	2.3
173.02956	21.1
175.04510	21.6
177.00848	1.2
177.06097	1.1
177.09731	1.2
179.00664	15.8
179.03944	6.7
180.04100	2.4
184.04550	3.8
185.02933	25.1
185.04485	1.0
187.04489	8.8
189.06018	2.0
190.98766	1.7
191.03996	7.0
196.04570	1.0
197.03004	5.3
198.06035	1.2
199.04486	3.1
202.02623	0.8
203.03986	38.1
203.11189	0.9
204.04034	1.1
205.05545	0.9
215.03966	9.8
216.10162	0.8
217.05511	3.4
219.01862	1.8
219.03790	2.8
221.01761	16.2
221.04999	6.7
222.01874	2.0
222.06233	0.9
226.05664	2.0
227.00662	1.6
227.04005	6.0
233.04999	8.0
245.01860	4.7
245.05037	57.9
245.12196	5.8
246.05345	1.1
263.02859	76.5
263.06058	10.3
264.02957	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	245.0441
Annotation	1,3,5-Trihydroxyxanthone
Peak:m/z	Relative Intensity
55.05480	0.2
68.35419	0.2
68.99761	1.1
69.03387	0.3
71.06091	0.4
71.06459	0.4
72.93761	0.2
74.52283	0.2
79.05455	0.3
83.04920	0.3
84.08127	0.3
86.09692	0.5
103.05466	0.3
105.03364	0.3
105.07025	0.3
115.05405	1.4
124.07561	0.5
130.90349	0.2
131.04872	0.6
137.00348	0.2
143.04881	0.6
145.06474	0.3
147.04367	1.4
155.04900	1.1
161.05940	0.7
167.97168	0.3
171.04376	2.6
172.97696	0.2
175.03911	1.4
177.05435	0.6
177.39659	0.2
189.05446	1.4
194.24200	0.2
199.03882	3.5
199.12299	1.6
200.04427	0.2
203.03342	0.4
216.04025	0.3
217.04944	1.7
227.03409	1.3
227.11745	3.0
244.03532	0.4
245.04401	100.0
245.12724	2.2
246.04691	1.3
259.35574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36767	53.4
68.76656	43.1
69.03408	59.7
71.23079	100.0
71.23450	95.1
72.90376	45.6
94.99961	48.9
97.47015	47.8
105.58976	43.9
111.04467	57.5
119.01923	51.1
129.05405	56.4
172.97620	54.5
185.03171	54.8
224.20918	48.3
245.00580	94.8
245.15169	57.2
251.85789	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06562	100.0
70.91676	31.6
70.92012	97.4
78.79184	30.0
94.68465	33.1
104.10722	73.0
220.95454	32.7
245.00572	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85867	29.2
52.67374	33.5
65.66311	36.1
67.05476	62.9
68.94000	30.4
69.03419	63.8
70.06560	38.4
70.97245	100.0
71.50575	33.5
84.04522	50.9
111.04473	79.5
119.01884	70.5
129.05392	45.6
148.27284	40.7
199.14566	40.0
227.10172	43.7
245.00670	72.2
245.11510	72.5
245.14964	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33207	1.6
69.45857	20.8
94.92992	21.6
104.10725	16.5
114.89323	3.1
156.80241	2.3
164.93558	2.8
166.95050	1.8
176.80202	1.7
176.93484	100.0
204.87057	2.4
206.94569	3.5
224.95569	18.5
229.27087	1.8
242.96645	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9898
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06582	27.0
71.04964	24.0
71.18719	35.6
71.19054	34.1
87.10802	20.4
110.07172	24.5
112.05093	22.2
129.10220	17.6
131.34833	17.4
158.78250	18.3
196.35855	19.0
220.25218	19.1
242.98911	100.0
243.06274	20.6
243.15877	24.8
244.04436	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	243.0861
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.02383	1.6
53.03935	2.3
55.01860	4.2
55.05498	2.5
57.03431	10.3
57.07074	2.5
59.05009	1.5
61.02914	11.2
65.03932	17.5
67.05490	7.4
68.18509	1.4
69.03415	4.5
69.07057	3.6
70.06569	5.2
70.75108	1.4
71.04992	2.2
71.77921	1.8
72.08142	2.0
73.62632	1.3
75.04477	3.7
79.05493	7.7
81.03407	2.9
81.07034	10.7
81.56372	1.3
82.04165	2.4
83.04978	3.5
84.08132	4.2
85.02893	7.1
86.09711	4.0
91.05469	19.8
91.46975	1.4
93.03380	5.7
93.07038	3.3
94.02850	1.6
95.04949	18.2
95.08578	3.8
97.02882	4.3
97.06516	5.3
105.03381	4.8
105.06993	3.1
107.04933	7.7
107.08577	2.8
109.02856	4.6
109.06500	16.3
109.10140	1.9
109.72536	1.3
110.03647	7.1
110.07165	1.6
111.04431	27.2
119.04937	8.7
119.08585	2.2
121.06486	3.6
121.10132	2.6
123.04412	20.3
123.08021	2.5
123.11674	2.8
125.02353	6.7
125.05972	17.2
133.02820	12.7
133.10080	1.7
135.04385	4.1
135.58755	1.4
137.05965	21.6
137.09641	1.8
138.03197	1.5
139.07539	1.7
140.04660	100.0
141.05374	1.6
142.02528	1.7
147.04411	7.0
147.96533	1.4
149.09570	2.3
151.03876	12.1
151.07509	1.8
153.05492	2.2
154.02576	8.7
155.07014	95.5
155.33640	1.4
163.03835	5.0
165.05479	17.6
166.06160	1.6
169.04944	29.2
170.98282	1.6
171.06516	5.4
173.08093	9.4
173.09393	1.6
177.09055	2.5
179.07019	10.9
180.04166	15.9
181.04938	80.2
183.06497	3.8
187.07516	1.8
193.04951	31.4
194.02448	1.6
195.06493	14.9
197.06201	2.5
197.08057	11.5
197.09641	2.3
207.06494	29.5
207.08273	2.6
207.13724	2.4
215.10573	1.6
222.04591	1.5
225.05379	2.5
225.07541	30.2
225.14925	2.5
231.05194	2.0
243.06441	8.1
243.08624	21.9
243.10208	2.8
243.13799	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	242.1172
Annotation	(R)-N-Nicotinoyl-2-hydroxy-2-phenylethylamine
Peak:m/z	Relative Intensity
51.02351	0.3
53.03938	2.1
71.49978	0.4
71.50324	0.3
77.03893	0.5
80.58543	0.2
81.03365	0.2
90.62480	0.2
95.04958	4.7
103.05399	0.2
105.03375	100.0
106.03713	0.9
121.06491	0.5
147.75876	0.2
215.65697	0.2
224.10669	15.0
225.10973	0.2
243.17488	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1172
Annotation	(R)-N-Nicotinoyl-2-hydroxy-2-phenylethylamine
Peak:m/z	Relative Intensity
51.02360	0.5
53.03937	3.0
55.01852	0.4
60.01250	0.2
71.69124	0.5
77.03925	0.8
79.05483	0.5
81.03433	0.4
81.07049	0.2
91.05466	5.5
93.07029	10.8
95.04948	7.0
103.04913	0.2
103.05452	7.4
105.03375	100.0
106.03698	0.8
121.06487	73.3
122.05999	1.4
122.06841	0.8
123.00759	0.3
149.51366	0.2
225.41757	0.2
242.11726	22.0
243.12044	0.4
246.93219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.3
56.05024	1.1
56.49134	0.3
57.07071	4.3
62.15018	0.3
67.05491	1.8
68.05006	0.5
69.07049	1.5
70.02922	0.4
70.06583	2.9
70.59205	0.3
71.08625	4.3
71.49827	0.3
71.50175	0.7
72.04501	1.3
72.08141	0.4
74.06068	0.5
75.63730	0.3
79.05490	0.8
80.04990	1.3
81.07042	2.7
82.06583	1.6
83.08601	0.9
84.08141	0.3
84.10468	0.3
85.10168	2.6
88.07095	0.5
88.07615	7.7
89.17290	0.3
91.05471	0.3
92.28951	0.3
93.05772	0.6
93.07022	0.7
94.06549	1.7
95.08591	2.4
96.04489	0.6
96.19373	0.3
98.06026	2.4
100.07597	1.0
102.50351	0.3
105.03395	0.5
105.06969	0.4
108.08107	1.2
112.07602	0.4
113.85236	0.3
126.09135	2.0
198.18562	0.9
206.19031	1.5
224.20056	4.4
242.21117	100.0
242.28284	1.4
243.21243	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99788	0.1
53.03920	0.2
55.01851	0.3
55.05492	0.2
56.84167	0.1
65.03924	2.0
69.07064	0.2
70.06573	0.3
71.01333	0.2
71.81606	0.3
72.08122	0.2
74.02429	0.2
79.01847	0.2
79.05470	0.4
81.07018	0.2
84.08119	0.3
95.04954	0.6
95.08554	0.2
105.03372	4.3
105.07045	0.1
106.03680	0.1
111.04422	2.6
120.08057	0.4
121.02847	100.0
122.03181	0.5
122.06001	1.1
139.63776	0.1
169.69588	0.1
240.22440	0.1
242.05864	0.2
242.07866	1.0
242.11845	0.2
243.06509	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	242.117
Annotation	(R)-N-Nicotinoyl-2-hydroxy-2-phenylethylamine
Peak:m/z	Relative Intensity
51.02362	0.3
53.03938	2.6
55.01841	0.2
70.91924	0.3
70.92296	0.3
77.03925	0.6
95.04955	5.0
95.05569	0.3
98.97569	0.5
103.68188	0.2
105.03373	100.0
106.03717	1.2
116.98572	0.3
177.00662	0.2
181.10098	0.2
224.10672	15.7
225.11002	0.4
228.63303	0.2
230.56628	0.2
246.33109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1172
Annotation	(R)-N-Nicotinoyl-2-hydroxy-2-phenylethylamine
Peak:m/z	Relative Intensity
51.02375	0.5
53.03942	3.3
55.01865	0.4
57.25042	0.2
69.86536	1.8
76.63160	0.3
77.03918	1.0
79.05480	0.4
81.03403	0.3
86.09681	0.2
91.05469	6.4
93.07028	9.7
95.04951	6.2
103.05456	7.2
105.03378	100.0
106.03720	1.0
121.06488	73.5
122.05991	1.4
122.06849	1.3
122.09663	0.4
142.37645	0.3
148.07635	0.4
149.07402	0.2
153.45943	0.3
242.11745	21.0
243.12154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1794
Annotation	Chokol F
Peak:m/z	Relative Intensity
53.33228	0.7
55.01863	29.6
55.05500	20.2
56.73931	0.8
57.03184	0.7
57.03434	5.6
57.07061	11.3
61.02916	5.6
67.05491	39.9
69.03422	1.4
69.07056	36.6
70.06592	0.9
71.04974	4.8
71.08601	2.2
71.23243	2.1
73.06532	2.3
78.26800	0.8
79.05478	31.9
81.07044	40.7
82.07409	1.1
83.04966	100.0
83.08604	13.0
84.05292	0.9
85.06525	11.8
85.10154	1.5
85.32123	0.9
87.08101	6.4
88.48847	0.8
91.05458	6.8
93.07028	36.7
95.04971	3.4
95.08591	55.9
96.08120	1.5
97.06514	42.0
97.10152	8.1
99.08078	3.8
105.03384	3.9
105.07024	2.7
106.03699	2.3
107.08572	37.9
109.10130	16.3
111.04411	1.0
111.08074	9.0
111.11701	2.1
116.98578	0.9
121.02834	12.5
121.10123	37.9
122.03186	11.3
123.11686	3.6
125.09605	3.6
135.11668	5.6
137.13211	0.9
139.11127	1.0
163.14796	30.7
181.15842	50.9
198.18474	1.2
199.16925	4.1
203.60823	1.0
209.05968	1.2
241.10405	1.8
241.15668	2.0
241.17949	4.3
242.21194	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2159
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
53.03936	0.4
55.01876	0.3
55.05503	4.4
57.03428	1.5
57.07068	6.6
59.04982	0.5
61.02912	0.4
65.03930	0.8
67.05496	9.9
69.03412	0.3
69.07057	4.0
69.50681	1.2
69.51109	1.5
71.04984	9.5
71.08620	2.1
72.50989	0.3
79.05481	3.4
81.07036	2.4
82.04179	0.6
83.04965	1.4
83.08601	2.1
85.02910	1.9
85.06517	0.9
85.10166	1.0
87.04456	11.7
91.05460	0.6
92.87579	0.3
93.07028	3.6
93.33965	0.3
95.04967	0.4
95.08581	2.3
97.06518	17.8
97.10143	1.2
101.05991	0.8
107.08579	1.5
109.10139	0.9
111.08035	0.7
115.07532	0.7
121.10117	0.9
129.09125	0.7
135.11635	0.6
143.10703	0.4
143.47801	0.3
159.11716	0.3
161.66435	0.2
171.11714	0.4
185.13248	0.6
217.49222	0.3
241.21585	100.0
242.21948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67045	0.2
58.06589	14.7
60.08144	0.5
68.81257	0.2
70.06574	2.8
71.78454	0.4
81.03393	0.3
84.07629	0.6
84.08121	7.8
98.09686	1.6
100.11230	0.5
104.10721	12.1
108.92089	0.3
112.89572	0.3
114.05469	0.3
116.07096	0.3
128.10692	3.2
130.73528	0.3
134.00406	0.3
138.26346	0.3
144.10159	1.0
152.07040	0.8
152.10698	0.3
168.10190	0.7
196.09659	4.4
213.15987	0.7
241.15422	100.0
242.15797	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.60486	0.2
55.05497	0.2
56.05008	0.2
58.06589	13.7
59.04966	0.2
63.79079	0.2
67.83705	0.2
69.03416	0.3
69.07040	0.3
69.59706	0.2
70.06579	2.1
70.31829	0.4
70.32224	0.5
71.04988	0.2
72.08127	0.4
81.03401	0.6
81.52946	0.2
84.08126	7.8
85.02888	0.3
85.06526	0.2
97.02851	0.5
98.06026	0.4
98.09689	1.3
99.04443	0.2
101.02422	0.2
101.47608	0.2
107.04926	0.2
109.02799	0.2
114.05475	0.3
116.07072	0.4
119.01885	0.3
120.08144	0.2
121.02904	0.2
122.01829	0.2
126.05492	0.4
126.09111	0.4
128.10699	3.4
134.05994	0.4
135.04355	0.3
136.06119	0.2
144.10165	1.1
152.04608	0.4
152.07019	0.8
163.03905	0.3
164.07076	0.2
168.10158	0.9
169.03404	0.2
173.02878	0.3
195.12018	0.3
196.09662	4.7
198.98466	0.3
201.02419	0.4
213.15945	0.5
216.99640	0.3
219.03531	0.4
241.15425	100.0
242.06123	0.2
242.08505	0.2
242.15738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.6
53.03936	3.5
55.01860	0.4
57.86580	0.3
71.81518	0.4
77.03899	0.7
81.03407	0.6
91.05478	2.6
95.04957	7.9
95.08575	0.3
104.04978	5.9
105.03373	100.0
106.03718	0.6
107.04966	0.4
119.04918	2.1
120.35516	0.3
121.02852	4.8
137.05919	1.9
155.52391	0.3
196.16942	1.4
232.59549	0.3
240.06630	0.8
240.10216	6.7
240.12498	0.8
240.19554	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1016
Annotation	Muricatisine
Peak:m/z	Relative Intensity
51.02357	0.3
51.61248	0.3
53.03941	1.8
55.05487	0.3
56.96545	0.3
57.07039	0.4
58.39589	0.3
59.25590	0.3
59.63899	0.3
65.03928	1.9
67.05461	0.3
70.06583	0.3
70.92188	0.9
81.07060	0.5
82.07317	0.2
85.02864	0.3
91.05421	0.3
92.95869	0.3
93.07006	0.3
95.04958	4.4
95.08594	0.3
96.04450	0.3
105.03375	73.4
106.03663	0.6
109.06589	0.3
110.06030	0.3
111.04427	2.2
119.04928	0.4
120.08087	7.6
120.08964	0.4
121.02847	100.0
122.03159	0.6
146.06035	0.3
148.07593	0.8
158.15379	0.4
158.52428	0.3
158.85576	0.3
166.08577	0.4
167.99899	0.3
178.08719	0.3
194.08113	0.6
222.07578	0.4
239.68965	0.4
240.06711	0.5
240.10272	10.9
240.12289	1.1
240.19656	0.5
240.23364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1015
Annotation	Muricatisine
Peak:m/z	Relative Intensity
51.02366	0.5
52.95239	0.2
53.03934	2.6
65.03928	0.3
69.70019	0.9
69.70453	0.9
73.57690	0.2
77.03914	0.8
81.03403	0.4
95.04951	6.5
105.03375	100.0
106.03706	0.5
111.04469	0.5
118.94892	0.2
119.04980	0.3
120.08091	1.9
121.02847	22.0
136.36563	0.2
148.81186	0.2
164.15221	0.2
197.09430	0.2
238.31834	0.2
240.07686	0.5
240.10173	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	240.1015
Annotation	Muricatisine
Peak:m/z	Relative Intensity
51.02355	0.4
53.03702	0.2
53.03936	3.1
55.05471	0.4
56.33215	0.2
66.46943	0.2
67.05487	0.3
69.54018	1.9
69.54424	0.4
70.01897	0.2
74.08909	0.2
74.19463	0.2
77.03921	0.6
81.03416	0.4
81.07037	0.3
84.82037	0.2
95.04953	6.6
95.08612	0.2
105.03374	100.0
105.06968	0.6
106.03680	1.0
111.04388	0.2
120.08076	0.3
121.02847	5.9
121.94139	0.2
174.73424	0.2
182.06932	0.2
197.05978	0.4
225.05426	0.6
240.06303	0.3
240.07770	0.7
240.10167	6.6
240.16768	0.3
240.19424	0.4
262.20767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1015
Annotation	Muricatisine
Peak:m/z	Relative Intensity
50.01588	0.2
50.36544	0.2
51.02365	0.4
53.03939	2.5
68.99773	0.2
70.49276	0.7
72.33215	0.1
77.03535	0.1
77.03928	0.6
81.03388	0.4
91.06859	0.2
95.04951	5.8
98.21461	0.2
105.03374	100.0
106.03712	0.5
118.06528	0.2
121.02876	1.2
144.92490	0.1
146.06000	0.2
151.02104	0.7
197.09547	0.2
212.07751	0.2
238.04054	0.2
240.06416	1.5
240.10152	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	240.1015
Annotation	diarylpropionitrile
Peak:m/z	Relative Intensity
53.56789	0.1
55.01858	0.2
65.03923	1.7
71.01338	0.2
71.78739	0.1
75.77827	0.1
83.28037	0.1
93.03394	0.2
95.04969	0.1
96.66506	0.1
103.05456	0.2
105.02660	0.1
105.03375	4.2
111.04424	2.3
120.08088	7.3
121.02846	100.0
122.03175	0.7
122.09644	0.2
125.71399	0.1
166.08647	0.5
240.10161	7.1
240.19508	0.1
241.08595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1014
Annotation	diarylpropionitrile
Peak:m/z	Relative Intensity
59.78291	0.2
65.03925	1.5
70.36847	1.0
103.05486	0.3
111.04427	1.9
112.49126	0.2
120.08086	7.1
121.02846	100.0
122.03181	0.3
124.16171	0.2
240.10158	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1013
Annotation	Muricatisine
Peak:m/z	Relative Intensity
50.01580	0.4
51.02369	0.6
53.03702	0.3
53.03938	2.9
66.34948	0.2
67.85390	0.2
70.21514	1.1
73.06171	0.2
77.03886	0.5
81.03412	0.3
91.05475	0.3
95.04948	5.7
98.20707	0.3
103.72195	0.2
105.03372	100.0
106.03706	0.6
121.02041	0.3
121.02854	3.2
121.03827	0.2
122.05981	0.2
146.05997	0.3
152.06252	0.2
168.82968	0.2
172.94809	0.2
175.50717	0.2
185.38161	0.2
197.09563	0.2
236.92612	0.2
240.10149	10.2
241.08490	0.3
250.73239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07052	0.2
65.03925	1.5
66.74551	0.1
68.99800	0.2
69.07039	0.2
71.03552	0.3
71.03899	0.2
73.02886	0.2
81.07049	0.3
83.04903	0.1
83.08613	0.2
91.05462	0.3
93.07041	0.2
95.04960	0.4
95.08608	0.2
105.03368	4.7
109.02860	0.2
111.04420	2.5
111.92445	0.2
115.04704	0.1
116.34463	0.2
120.08083	7.6
121.02843	100.0
122.03184	0.6
143.45609	0.2
192.67786	0.1
199.16885	1.0
214.12675	0.1
239.68842	0.3
240.06700	0.2
240.10191	5.7
240.12262	0.5
240.19531	0.5
240.23285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
54.08952	0.1
55.01858	0.6
65.03927	2.8
65.04277	0.2
68.99771	0.2
70.04128	0.9
71.43937	0.1
79.01842	0.3
80.95422	0.2
93.03371	0.4
95.04944	0.7
105.03371	9.9
105.70456	0.2
111.03262	0.2
111.03635	0.3
111.04424	9.3
121.02845	100.0
122.03181	0.5
125.65446	0.2
158.15147	0.2
168.94833	0.1
174.76480	0.1
223.07520	0.2
240.10164	10.8
241.08578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.56819	3.3
55.01839	4.5
55.05505	16.2
57.07058	12.3
59.04984	4.8
67.05501	27.0
69.07054	37.7
70.82993	11.6
71.04982	31.3
79.05481	22.8
81.07040	62.6
83.04950	14.8
83.08612	19.1
85.06520	46.9
91.05469	36.1
93.07020	52.7
95.04969	9.0
95.08591	70.8
97.06507	14.1
97.10163	8.1
99.04434	7.9
99.08088	8.9
99.88280	3.2
101.06017	4.2
105.03385	12.0
105.07011	72.9
107.04935	9.3
107.08575	66.6
107.68902	3.7
109.06499	7.3
109.10149	61.1
111.04436	6.9
111.08073	21.4
113.05956	16.0
113.09616	6.5
117.06992	14.1
119.08566	73.2
121.02859	33.6
121.10127	61.2
123.08039	6.7
123.11696	14.2
125.09615	7.2
127.11223	4.6
129.09064	10.9
131.08562	20.2
133.10107	50.6
135.04428	3.8
135.07985	5.7
135.11662	36.7
137.09619	4.8
137.13274	3.3
139.11148	3.8
145.10101	54.6
146.06053	5.5
147.11641	18.8
149.09642	7.8
149.13232	19.2
149.50587	3.3
159.11681	60.9
159.12946	6.2
161.13243	87.8
163.11099	17.2
163.14748	4.0
173.13223	16.5
175.14806	46.7
177.12758	5.2
177.16339	10.3
179.14290	6.5
182.19505	3.8
189.16333	4.3
191.14270	11.6
191.17886	33.2
192.06572	6.9
193.15874	3.6
201.16356	84.0
201.18132	6.2
209.11673	8.2
219.17409	91.5
220.07649	3.8
237.09244	3.9
237.14729	8.1
237.18448	87.6
237.22046	7.0
238.08600	100.0
238.10883	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	238.0857
Annotation	2,3-Bis(p-hydroxyphenyl)acrylonitrile
Peak:m/z	Relative Intensity
51.02359	0.3
53.03936	1.9
57.65029	0.2
70.11600	0.3
70.38430	1.3
77.03929	0.5
79.05469	0.3
81.03410	0.3
81.07058	0.3
91.05470	0.7
95.04958	4.0
103.69300	0.3
105.03374	37.7
105.04513	0.9
106.03712	0.3
107.04939	5.9
109.02871	0.4
110.68882	0.3
113.22041	0.3
116.04946	0.4
119.75101	0.3
121.02865	1.5
132.04416	0.3
135.04398	0.6
144.04430	0.6
145.05217	0.8
152.06187	1.2
165.06960	3.5
166.07700	0.5
167.08556	2.5
177.06963	0.5
183.08009	1.0
191.07286	1.0
192.06589	0.4
192.08072	2.0
193.06493	1.3
195.08044	2.7
210.09250	0.5
211.07535	1.0
219.06982	0.3
220.07541	13.3
220.17003	0.3
221.05933	0.9
221.07896	0.4
238.08592	100.0
238.17917	2.9
238.25252	1.0
239.08940	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1481
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03920	0.7
55.01857	0.8
55.05489	1.6
56.86744	0.4
57.03416	0.8
57.07064	2.7
59.04972	2.1
67.05496	2.0
69.03397	1.2
69.07043	1.4
71.01328	0.6
71.04992	1.8
71.51723	0.3
71.65433	0.8
79.05476	3.8
81.07036	5.9
83.04965	4.2
83.08606	0.7
85.02888	5.3
85.06509	1.4
90.90412	0.4
91.05459	4.8
93.07022	7.1
95.04944	4.1
95.08595	2.1
97.06541	2.7
99.04443	3.6
99.08066	0.4
102.21660	0.4
105.03361	0.9
105.07013	4.1
107.04904	0.9
107.08560	4.9
109.06495	11.2
109.10152	1.5
111.04427	0.4
111.08064	2.3
117.07000	2.1
118.06583	0.5
119.08553	4.6
121.02822	0.8
121.06475	8.7
121.10107	3.3
123.08061	1.9
123.11681	0.8
125.06016	0.4
125.09600	0.7
125.32024	0.4
129.07024	1.3
130.07796	0.4
131.08534	4.9
133.10118	3.7
135.04504	0.4
135.08025	7.8
135.11647	2.6
137.05957	7.7
137.09608	1.1
139.07516	3.7
143.08545	0.7
144.09332	3.5
145.06473	0.8
145.10100	2.3
146.05959	0.6
147.11598	1.0
149.09552	1.8
149.13217	1.7
151.07509	3.7
151.11182	0.5
153.09079	1.9
157.10159	0.9
159.08051	0.7
159.11667	21.0
161.09619	1.9
163.07529	8.8
163.11189	0.7
164.08308	1.0
173.13200	2.9
175.11186	0.9
176.12143	0.4
177.09052	0.5
177.12706	6.0
179.10648	1.3
181.06384	0.6
181.08569	11.3
182.08414	0.8
186.10330	0.5
189.12738	0.6
191.08577	0.8
191.10576	0.6
191.14316	1.6
192.06577	1.4
194.07251	0.7
195.13757	1.0
201.12692	1.8
201.16376	0.7
209.09897	0.5
219.10239	0.8
219.13773	6.5
219.17299	2.0
237.14815	100.0
237.22147	1.8
238.08589	2.8
238.15216	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1481
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.31277	1.5
53.03924	2.5
55.01855	3.6
55.05502	26.9
57.07068	8.3
59.04988	2.7
62.65863	1.7
63.43969	1.6
67.05481	15.1
69.03409	2.4
69.07050	14.8
71.04977	5.9
71.80878	3.1
72.68582	1.7
79.05463	5.9
81.07037	18.9
83.04495	2.6
83.04966	40.5
83.08605	41.9
85.06525	3.9
85.10194	1.8
91.05464	9.1
93.07030	21.6
95.04964	8.3
95.08597	24.8
97.06514	12.6
97.10137	3.7
99.04425	4.8
99.08055	8.1
105.03373	6.6
105.07017	17.3
107.04901	2.6
107.07875	3.2
107.08575	36.1
109.06491	11.9
109.10147	27.3
109.10871	3.3
111.04426	19.8
111.08067	11.6
113.06014	1.9
113.09605	7.6
117.06989	2.4
118.17182	1.9
119.08573	14.3
121.02825	4.5
121.06487	10.5
121.10140	23.1
123.08025	4.7
123.11694	9.2
125.05981	4.9
125.09627	10.8
127.07531	7.2
131.08530	6.8
133.10114	17.7
135.08022	11.3
135.11655	10.3
136.08809	18.6
137.05898	2.6
137.09605	19.6
137.42334	2.0
139.07497	5.1
139.11177	2.7
145.10088	8.1
147.11647	2.0
149.02405	3.3
149.09615	4.2
149.13226	21.5
151.11165	5.3
153.09085	8.1
159.11664	24.2
161.09627	16.9
161.13226	11.2
167.14336	4.4
173.13235	3.8
175.11067	2.1
175.14847	2.1
177.09079	3.2
177.12704	19.9
177.16229	2.0
179.10654	51.5
180.11021	2.0
191.14302	3.2
192.06511	8.1
193.05002	2.2
195.13777	47.8
201.16365	7.7
209.06029	2.0
219.10138	2.9
219.13722	4.5
219.17363	11.7
237.05402	2.5
237.07297	4.4
237.14809	100.0
237.18422	12.8
237.21985	8.7
238.08646	13.7
238.17844	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0865
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
52.84406	0.2
52.93573	0.2
55.05495	0.3
57.03403	0.2
67.05467	0.4
69.03413	0.4
69.07026	0.4
70.06563	0.7
71.01327	0.2
71.51183	0.4
72.08115	0.2
73.59472	0.2
74.02431	6.3
74.02853	0.3
79.05470	0.2
79.33803	0.2
81.03406	0.2
81.07013	0.5
83.08554	0.2
84.08118	0.4
85.02888	0.4
86.09671	0.6
86.10177	0.2
87.04475	0.2
91.05475	0.3
93.07011	0.3
94.06538	0.4
95.04929	0.5
95.08572	0.4
97.02855	0.3
97.06449	0.2
99.04401	0.2
103.05469	0.3
107.04926	0.3
107.08586	0.5
109.02810	0.2
111.08070	0.2
118.06546	1.4
118.70370	0.3
119.04893	0.2
121.10089	0.2
123.01563	0.2
123.04417	0.3
123.11709	0.2
128.04927	2.7
130.06494	0.7
132.04408	0.7
135.06755	0.6
135.08052	0.2
146.05983	100.0
147.06343	1.6
148.03917	1.3
149.09602	0.4
149.13403	0.2
157.07631	0.3
158.06006	1.0
163.03871	0.5
163.11194	0.3
173.07039	0.5
174.05507	0.3
174.09189	0.2
175.08694	0.3
191.08194	1.0
192.06555	0.5
192.10178	1.1
213.94102	0.2
219.07693	1.9
219.09848	0.2
219.17477	1.1
237.08723	7.3
237.14859	0.3
237.18628	0.3
237.22156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
50.83044	1.2
53.03910	1.9
55.01833	1.9
55.05500	9.4
57.07066	18.4
58.06557	4.8
59.04990	3.0
59.54108	1.3
61.29172	1.2
65.03911	2.2
67.05493	18.7
67.79330	1.3
69.03369	4.1
69.07053	11.3
70.33986	4.0
70.34394	2.6
71.04977	25.8
73.06495	2.7
74.71846	1.2
79.05476	10.0
81.03334	1.7
81.07044	31.2
83.04898	5.1
83.08546	4.0
84.55782	1.4
85.06455	2.7
86.09691	97.0
89.05964	5.9
91.05453	14.9
93.07031	24.7
95.04945	10.2
95.08582	21.9
97.02725	1.4
97.06466	4.7
97.10123	1.6
98.20640	1.3
99.08031	1.5
104.07057	1.6
105.07009	33.9
107.08575	58.5
109.06494	6.7
109.10139	27.9
111.08065	14.7
115.19544	1.3
117.06932	2.8
119.08559	33.3
119.55009	1.3
121.06438	2.8
121.10124	20.8
123.04346	1.8
123.07983	3.1
123.11600	3.2
125.09606	25.6
127.07460	1.9
129.06885	3.2
131.08574	10.3
133.10106	20.5
135.07944	2.2
135.11676	25.3
137.05872	2.3
137.09517	3.3
139.07510	2.5
142.07666	2.7
143.08453	3.5
145.06390	1.6
145.08980	1.3
145.10080	19.9
147.07936	6.1
147.11664	59.2
147.88327	1.3
149.09439	3.8
149.13220	2.8
153.12703	11.4
157.10110	6.7
159.07985	1.4
159.11659	6.7
161.09570	9.8
161.13084	5.4
163.11018	1.5
165.06836	1.6
165.09021	1.9
165.12773	6.4
171.07916	1.9
171.11554	1.8
171.47981	1.4
173.13124	5.2
175.07549	1.9
175.11028	6.1
175.14810	8.1
178.07774	9.1
179.08556	12.1
179.10619	16.2
187.07451	2.2
189.06917	2.2
189.12617	2.4
189.16345	30.0
192.08841	6.8
192.10257	1.6
193.12143	2.1
193.15717	3.1
199.14658	4.7
203.06787	1.4
204.08728	1.8
207.08105	9.0
217.06503	1.8
217.12401	1.7
217.15837	28.0
217.19307	4.5
220.08412	8.6
221.05742	4.2
234.09843	1.7
235.07310	29.8
235.10542	21.4
235.13008	3.0
235.16733	100.0
235.20453	7.2
236.08069	5.3
236.16820	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.18
Annotation	Lidocaine
Peak:m/z	Relative Intensity
58.06587	3.9
70.21234	1.0
86.09689	100.0
87.10003	0.5
98.21413	0.4
182.28905	0.2
235.18018	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0913
Annotation	Swietenidine A
Peak:m/z	Relative Intensity
51.55147	0.3
55.09282	0.3
56.41676	0.3
57.07042	0.4
60.04516	1.8
70.06552	0.4
71.25971	0.7
79.49268	0.4
85.06513	0.4
86.09675	0.9
87.10014	0.4
106.05012	5.0
116.04948	0.9
119.04917	0.4
129.06924	0.6
133.49277	0.3
134.05997	2.5
135.04391	1.4
137.05933	1.1
144.08025	2.0
146.05974	1.1
147.04456	0.4
147.05824	0.5
149.80254	0.4
162.05467	11.3
162.09059	0.6
163.06154	1.2
164.06937	0.4
172.07512	2.1
174.07458	0.4
177.64326	0.3
183.36386	0.3
190.04958	0.5
190.08595	9.7
200.05255	0.4
200.07071	0.6
203.05705	0.3
218.08095	94.7
219.08450	2.1
236.09148	100.0
236.17003	1.2
237.09418	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1688
Annotation	(1R*,3E,7E,11R*)-(+)-5,5,8-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-1-carboxaldehyde
Peak:m/z	Relative Intensity
50.44260	0.2
51.02369	0.3
53.00292	2.4
53.03674	0.3
53.03935	5.4
55.01857	0.3
55.05494	1.2
57.07065	3.7
66.23497	0.2
67.05492	2.8
69.07055	3.6
71.08607	1.5
71.78710	0.4
79.05479	1.2
81.03400	21.7
81.07047	2.2
83.01333	0.7
83.08599	0.4
85.10169	1.0
86.09688	6.3
91.05464	1.0
93.07021	1.0
95.04955	1.4
95.08602	1.3
105.07018	1.0
107.08565	0.7
109.02853	82.4
109.06480	0.8
109.10149	0.5
110.03168	0.4
110.74149	0.2
119.04905	0.3
119.08559	0.9
121.06515	0.3
121.10142	0.3
121.11440	0.3
123.04403	2.9
131.08484	0.3
133.10088	0.6
137.05946	0.6
151.07507	0.4
175.14676	0.2
179.10661	1.7
217.15884	0.6
235.16864	100.0
236.09155	0.2
236.17209	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
52.04285	1.9
55.01823	2.4
55.05481	7.7
57.07069	12.3
60.32008	2.1
67.05470	6.2
67.06369	1.9
69.03400	5.4
69.07047	10.2
70.98995	3.5
71.04959	7.9
78.84566	2.0
79.05450	8.3
81.07057	13.2
83.04940	3.9
83.08574	6.9
86.09236	2.6
86.09693	36.4
91.05479	15.5
93.07043	17.6
95.04948	10.1
95.08609	17.9
97.06494	6.0
105.06433	2.2
105.07026	31.2
107.08585	35.7
109.06462	9.0
109.10148	12.6
111.07961	2.4
117.06968	6.5
118.97233	2.2
119.08566	93.2
121.06456	4.6
121.10136	17.5
123.08044	2.5
123.11645	4.6
128.06250	2.9
129.06958	5.0
131.08540	17.0
133.06386	2.4
133.10118	53.2
135.08060	16.3
135.11667	11.0
137.09538	6.6
142.07732	4.6
143.08575	11.5
145.10101	21.2
146.07254	3.9
147.07997	7.0
147.11665	21.8
149.09573	5.1
151.11122	7.9
156.09302	4.3
157.10121	13.5
158.10881	3.3
159.07915	2.6
159.11679	13.5
161.09599	73.8
161.13197	4.6
171.11584	8.5
173.13242	22.1
175.11171	16.0
175.14783	17.4
177.12706	3.1
179.10661	15.6
187.11147	4.3
187.14746	5.7
189.16402	22.4
193.15823	3.3
199.14752	15.5
200.53856	2.4
202.13475	3.6
202.88885	2.2
203.09274	2.6
217.15854	100.0
235.16833	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	235.0961
Annotation	Swerilactone M
Peak:m/z	Relative Intensity
55.01860	1.2
55.05502	1.2
57.03416	0.7
57.07064	17.2
58.06583	3.7
62.91301	0.6
67.05473	2.6
67.57909	0.6
69.07031	1.4
69.88869	0.6
70.24737	3.3
71.04954	0.9
79.05466	0.9
81.03384	1.0
81.07025	3.0
83.04945	1.1
86.09689	58.6
91.05457	7.8
93.07006	2.4
95.04970	1.6
95.08574	3.0
97.06508	1.9
103.05441	1.2
104.38602	0.8
105.07030	4.2
107.04931	1.5
107.08584	3.2
109.02831	1.5
109.06470	1.0
109.10147	1.9
111.04414	0.9
113.05928	0.7
115.05412	3.0
116.06205	2.6
117.06976	1.8
119.04890	1.4
119.08556	4.8
121.06459	1.0
121.10123	2.5
123.04425	1.9
123.08089	1.6
128.06197	9.4
129.06982	21.3
131.04915	1.1
131.08514	6.5
133.06474	2.0
133.10098	2.8
135.11688	1.4
137.05910	0.8
137.09570	1.4
139.05360	1.4
141.06956	2.7
143.04948	1.0
143.08546	2.4
144.05698	3.9
145.06459	9.6
146.07220	0.9
147.04381	2.0
147.06973	0.7
147.07999	3.8
147.11667	1.2
149.09660	0.7
153.05397	1.3
155.05962	1.0
156.05634	2.9
157.06473	16.8
157.10030	1.0
158.02449	0.8
159.04356	1.5
159.08026	16.6
159.11615	2.4
161.05963	3.6
161.09578	1.5
161.13266	1.1
165.12605	0.8
168.05676	0.7
169.06421	1.2
171.08026	6.9
172.05153	1.5
173.05951	8.4
173.13321	0.8
174.06744	3.2
174.13947	0.7
175.07513	9.8
175.11061	1.4
175.14783	2.3
176.04628	0.9
177.12689	0.9
179.07068	1.5
179.10643	11.7
185.05962	2.5
187.07509	40.7
189.05421	2.4
189.09041	2.5
189.16388	1.6
190.06224	9.7
191.06970	3.7
193.08607	1.0
199.07544	7.0
199.14798	1.8
200.04736	1.0
202.06194	4.2
203.06975	1.3
204.07744	4.2
205.08554	4.8
207.06372	0.9
207.10094	4.6
217.08554	13.4
217.12239	1.0
217.15828	2.7
217.19423	1.0
218.10994	1.4
235.09605	100.0
235.13266	2.8
235.16713	44.7
235.20663	1.4
236.07248	0.7
236.09897	2.8
236.16832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.096
Annotation	Swerilactone M
Peak:m/z	Relative Intensity
50.64598	0.7
52.37705	0.7
55.01866	1.1
55.05480	1.8
57.03413	0.8
57.07064	17.0
58.06571	2.3
64.86478	0.6
67.05489	1.7
69.03415	1.1
69.07043	2.5
70.25436	3.7
76.65981	0.9
79.05474	1.7
81.03377	0.8
81.07029	3.0
83.04960	1.2
83.08598	1.0
86.09690	63.8
90.34299	0.7
91.05471	7.8
93.07006	2.1
95.04944	1.6
95.08575	3.8
97.06494	2.8
98.21380	1.3
103.05440	1.1
105.07001	5.4
107.04929	1.0
107.08570	2.7
109.02815	0.8
109.10132	2.0
111.04437	1.4
111.08040	0.7
115.05426	3.0
116.06208	3.0
117.06978	3.0
119.04874	0.7
119.08551	5.7
121.06493	0.8
121.10118	2.9
123.04428	1.8
123.08007	1.1
127.07620	0.8
128.06210	8.8
129.06068	1.3
129.06987	22.2
131.04898	1.4
131.08537	6.6
133.06456	1.4
133.10095	3.8
134.10904	0.7
135.08069	0.9
135.11710	1.6
137.06007	0.8
137.09572	1.5
139.03909	0.8
139.05429	1.1
141.06979	2.3
143.04861	1.3
143.08528	1.8
144.05672	5.7
144.51845	1.5
145.06444	9.9
146.03554	0.9
147.04350	2.1
147.07997	3.2
147.11711	1.3
149.09650	0.7
153.05495	1.5
155.06012	1.3
156.05650	2.5
157.06465	16.1
157.10136	1.1
159.04391	1.6
159.08031	18.1
161.05956	4.4
161.09589	1.5
161.13177	0.8
163.07535	1.2
164.04630	0.9
167.04810	0.9
169.06378	1.3
169.07642	1.0
171.08018	5.2
172.02116	3.4
172.05132	1.3
173.05946	8.7
174.06731	4.4
175.07512	10.0
175.11115	0.7
175.14751	3.5
176.04660	0.9
177.12805	1.0
179.07079	1.6
179.10635	11.4
182.47705	0.7
184.05101	1.1
185.05905	3.2
187.07510	39.7
189.05426	2.7
189.09082	2.3
189.16234	1.2
190.06218	10.5
191.04073	1.1
191.06947	3.7
192.07799	0.8
199.07515	7.6
200.04678	0.9
200.72235	0.7
202.06209	4.7
203.06985	1.7
204.07776	4.3
205.08582	5.6
207.06490	1.0
207.08389	0.9
207.10071	4.0
217.08540	11.5
217.12222	0.9
217.15863	0.9
217.19377	1.3
218.10956	1.7
235.05789	2.5
235.09605	100.0
235.16692	52.1
236.09877	2.7
255.87308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1849
Annotation	Tebutam
Peak:m/z	Relative Intensity
53.03915	0.4
55.05490	0.5
57.07051	1.3
69.07054	0.3
79.04231	1.3
79.40761	0.3
80.05000	12.2
81.03387	0.5
83.04950	0.5
86.09689	2.1
88.02208	0.8
93.05752	1.5
95.04955	0.5
98.21436	1.1
106.06532	0.7
107.07357	0.4
108.04446	3.5
109.02846	2.7
111.03145	1.0
111.04346	0.5
121.05207	1.2
122.06006	23.7
134.05957	1.5
155.06927	0.7
163.03445	0.4
163.28505	0.4
169.30936	0.3
173.08063	1.0
179.10574	0.6
216.07278	0.5
217.10683	2.2
229.72220	0.5
234.18481	100.0
235.16740	7.0
235.18779	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.9168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24895	0.8
57.01172	0.7
70.10432	4.2
77.06097	0.8
136.94006	100.0
163.01726	1.1
168.39963	0.7
168.61844	0.8
181.02805	1.2
234.17934	0.9
235.17009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.3
56.06686	1.4
57.07058	6.5
58.66715	1.5
60.04505	4.4
61.01139	71.5
68.99745	1.7
70.09425	4.7
70.09841	5.1
72.04504	29.5
78.03777	31.2
86.06050	11.4
86.09698	10.7
87.00812	40.1
98.20735	1.9
102.03748	30.2
103.02148	54.7
104.01670	5.4
104.03465	2.2
105.00068	2.1
105.07034	2.2
114.03757	17.4
114.05509	100.0
120.04787	82.3
129.00037	14.8
131.06366	14.1
132.04762	18.0
140.03413	2.8
146.02676	29.8
147.01077	38.2
149.07420	65.9
162.05823	4.1
164.03735	26.9
174.05817	10.7
179.10690	5.0
180.38657	1.5
188.03772	2.4
191.08459	68.2
206.04683	3.7
217.06390	14.9
218.04768	8.6
235.07469	49.0
235.09326	2.2
235.16809	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	234.1035
Annotation	Nicotelline
Peak:m/z	Relative Intensity
50.23281	0.2
55.05510	0.3
57.07058	0.2
62.33919	0.2
69.03415	0.3
69.07046	0.2
71.81811	0.3
79.05474	0.3
79.92071	0.2
83.04967	0.7
85.06490	0.2
86.09703	1.1
88.02225	0.3
91.05447	0.2
93.07048	0.2
97.06519	0.5
98.06883	0.4
98.97548	0.2
101.05988	0.3
105.07014	0.4
106.32009	0.2
107.15793	0.2
111.04403	1.3
119.04869	0.2
120.08112	0.2
129.05470	0.3
137.05954	0.4
144.05688	0.2
155.06985	1.8
165.06978	0.4
173.08086	1.7
173.93883	0.2
178.07727	1.7
179.08516	2.7
179.10100	0.3
179.10712	0.2
183.08160	0.2
183.24832	0.2
187.07532	0.2
189.06966	2.0
189.12587	0.2
190.07715	3.5
191.08522	41.3
192.03665	0.2
192.08865	0.7
199.09604	0.2
201.06877	0.2
202.07742	1.0
203.08511	7.3
204.09096	0.7
205.06404	0.3
205.10028	1.1
207.07983	1.5
216.07288	0.5
216.14612	0.2
217.06464	0.6
217.10661	4.1
218.07224	2.0
219.08005	39.9
220.05348	0.2
220.08284	1.0
229.07608	0.2
233.09570	5.9
234.10342	100.0
235.07506	7.0
235.10707	3.0
235.16969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03925	1.3
55.01851	2.2
55.05498	2.8
55.32807	1.1
57.07059	2.8
57.26734	1.1
59.04973	1.4
62.58948	1.1
65.03923	1.5
67.05498	7.2
67.20844	1.1
67.21897	1.5
69.03421	14.6
69.07058	8.4
71.04970	1.6
71.80825	1.2
79.05482	20.8
81.07048	11.5
83.04964	2.7
83.08604	2.8
85.06503	3.0
91.05466	22.9
93.07020	9.4
95.04953	34.9
95.08600	6.5
97.06523	28.9
103.05451	1.4
105.07018	18.8
107.04915	10.6
107.08569	12.8
109.02864	1.5
109.06493	9.2
109.10135	6.2
111.04395	3.5
111.08116	2.3
115.05415	2.0
115.75199	1.3
117.07015	6.3
119.04932	3.6
119.08566	100.0
120.08965	1.2
121.06482	7.2
121.10136	17.6
123.08035	4.1
123.11683	5.3
128.06198	6.4
129.07005	8.9
130.07736	3.4
131.04883	2.0
131.08545	17.1
133.06485	8.6
133.10109	9.6
135.08011	5.4
135.11623	1.4
137.05954	17.7
137.09604	2.6
138.08914	1.2
141.07019	2.3
142.07721	2.6
143.08571	10.1
144.05647	2.8
144.09341	1.4
145.06447	5.3
145.08963	1.8
145.10107	29.5
147.04382	1.8
147.08006	4.1
147.11664	4.5
149.06020	1.9
149.09583	8.8
151.11171	2.9
155.08568	6.0
156.09317	4.0
157.07658	1.4
157.10101	5.1
158.07248	14.4
158.10916	2.0
159.08025	12.2
159.11656	5.5
161.09628	2.1
161.13307	2.1
167.08554	2.2
169.10083	4.4
171.11650	5.6
172.05190	3.4
173.09604	26.6
173.13235	10.2
175.11168	5.3
175.14732	1.8
177.09108	3.0
182.10933	6.4
186.06789	1.8
187.07518	17.2
187.11172	4.6
187.14793	8.5
189.09100	1.9
189.12730	7.9
191.03334	2.9
191.06908	2.3
191.14310	12.4
197.13228	10.3
200.04689	5.2
200.11879	1.9
201.09088	24.8
205.08548	2.0
205.15952	1.7
215.06992	33.4
215.10709	1.8
215.14290	22.2
217.10652	3.1
218.09206	1.5
233.04333	2.4
233.07996	27.8
233.11736	20.2
233.15329	65.7
233.19019	3.1
233.22949	4.6
250.87584	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1531
Annotation	Hypacrone
Peak:m/z	Relative Intensity
50.73066	0.8
53.03918	1.2
55.01580	0.7
55.01850	0.8
55.05482	2.8
57.07052	2.9
59.04967	0.9
67.05476	2.7
69.03408	4.5
69.07040	2.0
71.04969	1.3
71.79038	0.8
79.05476	31.0
79.17400	0.7
81.07045	3.8
83.04955	2.4
83.08583	3.2
85.02847	1.2
85.06513	4.0
91.05460	5.8
93.07007	5.8
95.04956	6.1
95.08571	3.5
97.06504	3.4
103.05467	0.8
105.07011	9.9
107.04932	32.2
107.08566	7.4
109.06506	3.1
109.10128	1.1
111.04387	1.4
111.08034	3.1
113.05962	1.7
115.05466	1.2
117.01054	0.9
117.06983	4.8
119.08554	13.2
121.06467	1.7
121.10118	4.9
123.08070	1.7
125.09581	2.0
128.06165	3.9
129.07019	5.7
130.07733	1.9
131.07619	1.3
131.08531	14.2
133.06439	1.5
133.10095	10.3
135.08051	3.7
135.11674	1.1
137.09566	5.8
142.07741	2.3
143.08531	3.3
144.05673	1.0
144.09293	1.2
145.06416	2.0
145.10095	17.0
147.08022	14.2
147.11655	14.9
149.09613	7.2
149.13206	2.7
155.08470	1.3
156.09308	1.9
157.06438	1.1
157.10074	8.3
158.07237	3.2
158.10875	1.8
159.08052	4.8
159.11662	2.3
160.08780	2.3
161.09633	1.1
161.13229	0.9
163.11206	4.0
167.08478	0.9
171.08057	1.0
171.11674	2.8
172.05128	2.6
172.12344	1.3
173.09589	7.8
173.13208	8.8
175.11145	20.3
177.05501	1.0
177.09058	1.9
182.10847	1.2
184.02040	0.8
187.07516	13.6
187.09064	1.7
187.11113	1.8
187.14799	3.9
189.12680	6.9
191.07086	1.1
191.14265	42.7
197.13206	3.7
200.04626	4.0
201.09038	5.8
205.06532	1.0
215.06985	25.9
215.08989	1.7
215.14243	11.3
215.17732	0.8
217.88741	0.8
233.07991	22.1
233.11946	3.9
233.15308	100.0
233.18652	5.1
235.95906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1168
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
55.01846	2.3
55.05492	1.7
57.03414	1.4
60.16790	0.9
62.71997	0.8
67.05494	3.0
69.03416	1.6
69.07074	5.8
69.82662	0.9
71.04982	2.1
71.81105	1.1
72.08128	1.1
79.05472	7.6
81.03388	1.4
81.07020	2.5
84.13462	0.9
85.02895	1.9
91.05459	12.6
93.07022	2.5
95.04934	2.5
95.08577	3.2
97.06517	32.4
105.07005	12.7
107.04925	2.1
107.08570	2.7
109.06465	1.4
109.10141	1.0
111.04449	1.3
115.05419	2.7
117.06995	7.2
119.04900	3.6
119.08559	5.6
121.06403	1.1
121.10088	2.7
123.08089	1.0
128.06197	8.8
129.06978	10.9
130.06786	1.0
130.07759	16.5
131.08531	4.1
133.10101	1.7
135.08011	1.7
137.05957	24.8
141.06952	1.1
142.07787	1.5
143.08540	33.1
144.05664	1.5
145.06433	4.0
145.10098	50.8
147.04430	2.3
147.07976	3.0
149.09595	1.9
153.06949	1.5
155.08527	13.3
157.06467	2.6
158.07246	53.9
159.04358	1.5
159.08044	6.4
159.11659	2.7
163.07501	1.3
171.04395	1.9
171.08005	3.0
171.11618	1.1
172.05173	3.6
172.08717	1.3
173.09590	99.4
174.09955	1.4
175.07652	1.0
177.09105	1.7
183.09222	4.5
185.05893	1.2
186.06706	8.0
187.07500	12.2
187.11064	1.0
187.14767	3.0
189.09001	6.1
191.03331	2.3
191.07027	1.2
191.14330	1.8
197.13284	1.1
200.04688	4.0
200.08324	1.0
201.09077	100.0
202.09447	1.6
205.08327	1.1
215.06993	26.8
215.10623	2.6
215.14310	2.6
217.10571	2.5
218.09338	2.6
233.04398	1.7
233.08090	23.9
233.11681	51.7
233.15207	13.9
233.18983	2.6
233.22884	2.7
234.11766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1169
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.77935	0.2
53.03938	0.6
55.01861	2.6
55.05492	0.6
63.28227	0.3
65.03923	0.8
67.05491	2.7
69.03417	0.8
69.07056	32.7
70.41895	0.8
72.08123	0.3
73.46352	0.3
79.05479	6.7
79.05917	0.5
79.90870	0.2
80.06271	0.4
81.07031	2.3
83.04941	0.8
85.02883	0.5
85.98325	0.3
86.09704	0.4
91.05464	29.1
92.05804	0.4
93.07014	1.5
95.04948	1.2
95.08603	1.1
96.87811	0.2
97.06512	28.2
105.07029	1.5
107.04935	3.9
107.08584	0.6
109.06496	2.1
109.10173	0.7
111.04419	0.4
115.05449	0.3
117.06994	0.6
119.04920	16.3
119.08580	0.9
120.08066	0.3
121.06500	1.0
121.10110	0.7
123.11633	0.3
127.07521	0.5
128.06194	0.6
129.06985	1.2
131.04861	0.6
131.08540	1.2
133.10062	1.3
134.10933	0.3
135.04387	0.6
135.08029	0.8
135.11671	0.6
136.05168	2.2
137.05952	100.0
138.06325	1.2
138.09958	0.4
141.06963	0.3
143.08536	0.6
144.05580	0.3
145.06462	0.7
145.10104	1.2
147.04430	0.6
147.08067	0.4
149.05978	0.9
158.07184	0.4
159.08023	1.0
159.11644	0.7
161.05933	0.4
161.09561	0.3
163.03860	2.4
163.07594	0.4
169.06438	0.3
169.10110	0.4
172.05159	0.7
173.05940	1.3
173.08170	0.3
173.09615	0.8
173.13229	0.7
177.06911	0.4
177.09140	0.4
186.06705	0.4
187.07512	2.9
187.11142	0.6
187.14815	0.7
189.09082	0.9
191.03371	0.7
191.14334	0.3
197.09628	0.4
200.04646	0.8
205.04822	0.5
205.06516	1.2
205.08327	0.5
215.07013	5.8
215.10588	2.3
215.14265	0.6
215.17934	0.5
217.10649	0.9
233.04297	0.4
233.08035	5.0
233.11681	14.8
233.15085	2.2
233.17236	1.5
233.19031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1168
Annotation	(-)-(R)-2'-Methoxydihydroartemidin
Peak:m/z	Relative Intensity
57.07051	0.5
62.93429	0.5
67.05493	0.6
69.03415	0.7
70.18534	2.4
70.18949	1.2
72.08156	0.6
79.05482	1.0
81.07042	1.0
91.05466	3.0
93.07019	1.0
95.04987	0.6
103.05442	0.7
105.07009	7.2
107.08588	1.0
107.86599	0.6
115.05433	2.6
116.06200	1.2
117.07000	6.2
119.08541	1.3
121.06486	1.0
121.10162	0.9
128.06189	6.3
129.06966	6.0
130.07761	15.2
130.26219	0.7
131.04868	1.0
131.08522	2.1
137.05962	3.6
141.06970	1.6
142.07729	1.4
143.04909	0.7
143.08537	29.3
144.05681	1.8
145.06439	4.0
145.10097	49.8
147.07986	1.3
153.06958	2.6
155.08514	10.8
157.06427	2.4
157.07646	0.7
158.07240	55.5
159.08037	4.9
159.11708	0.7
169.06451	0.9
171.04437	0.9
171.08029	3.6
172.05157	1.6
172.08806	1.8
173.09586	94.2
174.09988	1.6
175.07491	1.4
175.13112	0.8
177.05466	2.1
178.06224	1.6
181.58522	2.8
183.08043	0.5
183.09178	4.4
185.05919	0.7
186.06711	8.6
187.07521	7.0
187.11166	0.7
187.14825	1.0
189.09056	4.5
190.59032	0.6
193.09320	1.7
200.04643	1.1
201.09068	100.0
202.09425	2.3
203.06992	1.3
211.23317	0.5
215.06999	13.7
215.10580	1.2
215.14343	0.8
216.07233	0.7
218.09288	3.9
220.13049	0.6
226.11118	1.2
233.04295	0.9
233.08110	11.2
233.11671	41.9
233.15027	3.6
233.18951	1.0
234.12000	0.8
244.12199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26653	31.7
57.56895	25.7
70.53095	95.6
72.08132	64.0
80.23407	26.9
86.09663	48.4
93.22686	27.9
119.39082	28.5
124.73160	25.7
188.75224	26.7
211.79094	26.7
216.77908	28.6
233.04176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45800	0.8
53.03933	3.4
55.05502	36.8
57.03422	3.3
57.07063	2.9
59.04992	2.0
59.08872	0.7
67.05487	2.0
68.99760	2.0
69.03419	7.7
69.61745	0.9
69.62144	5.9
71.04984	8.7
71.08615	3.2
77.03912	0.7
79.05011	1.4
79.05479	26.8
79.64570	0.7
81.03408	1.3
81.07041	100.0
83.04967	15.4
83.08604	17.9
85.06532	11.2
87.00813	39.3
87.01355	1.5
91.05474	1.5
99.04434	1.1
99.08068	8.9
101.06013	0.8
105.01849	3.9
109.06499	57.5
117.09109	4.1
119.08597	1.5
127.07533	62.0
135.79633	0.6
136.56926	0.8
141.07016	1.0
142.07771	2.1
145.08572	21.3
145.54552	0.8
147.04402	1.4
147.08000	1.3
148.04689	0.8
157.10069	1.5
185.08116	1.1
185.09648	2.0
213.09061	6.6
216.04198	2.1
231.06519	1.8
231.08409	9.8
231.10707	0.9
231.13863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05496	1.8
56.96550	1.4
59.04975	1.4
63.71042	0.6
65.03922	0.9
67.05493	7.7
68.99791	0.8
69.03419	6.8
69.07067	0.8
69.80406	4.5
70.70847	0.6
71.01335	3.5
71.04980	4.1
72.08125	0.9
73.02894	1.9
73.06528	1.0
79.05461	3.4
79.96087	0.6
81.06590	0.7
81.07043	8.6
83.04957	4.0
83.08605	2.0
85.02866	0.9
85.06519	2.3
86.09711	1.2
91.05470	3.0
93.07019	6.7
95.04954	45.5
95.08595	2.2
97.02876	3.8
99.04422	1.1
105.07027	5.1
107.08582	5.9
109.06490	2.5
109.10139	5.2
111.04432	0.9
111.08057	3.4
113.05986	47.8
119.04948	0.9
119.08572	1.7
120.05237	0.8
121.06473	2.4
121.10101	2.7
123.04390	3.4
123.08035	1.3
123.11680	2.9
128.06201	2.7
129.06975	0.8
131.08553	1.2
133.10103	7.3
133.18341	0.7
135.08025	2.3
135.11679	2.4
141.05441	100.0
142.05748	0.8
142.07764	0.9
143.08534	11.0
145.06389	0.9
147.04385	5.6
148.04718	3.7
149.09604	0.8
149.11511	0.6
150.34691	0.6
151.11162	24.0
157.06316	0.7
157.10092	1.6
159.11754	0.6
161.01196	0.8
161.09593	15.9
167.08524	0.9
171.11638	0.8
175.07532	1.3
177.12717	1.0
179.10643	15.0
185.09662	0.7
185.13249	1.2
197.11725	5.1
203.10632	0.6
210.30458	0.6
213.09186	1.5
213.12692	1.7
216.04260	3.8
231.06461	3.3
231.10146	3.7
231.12192	5.7
231.14029	1.4
249.02785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39275	11.3
50.77927	12.0
55.08470	12.5
69.85123	100.0
70.06596	19.5
203.49097	12.9
216.04172	30.3
230.99107	18.0
231.06488	42.5
231.16032	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72644	14.7
63.31331	13.0
67.88877	13.1
68.46294	15.2
69.88353	100.0
71.22182	14.9
106.70184	14.5
121.17027	14.2
230.98955	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	231.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.05499	38.8
57.03410	2.9
57.07050	3.4
59.04990	1.8
65.03923	1.1
66.62611	0.8
67.05490	1.7
68.99755	3.2
69.03410	8.0
70.29362	1.3
70.29784	2.9
71.04974	8.0
71.08617	4.0
79.05476	25.7
81.03406	1.8
81.07040	100.0
82.07355	0.9
83.04963	12.7
83.08153	1.4
83.08606	16.5
85.06528	10.0
87.00813	38.8
91.05453	1.0
98.20777	1.1
99.04406	0.9
99.08076	10.0
101.05984	2.2
105.01821	4.5
109.06497	55.4
117.09129	4.6
127.07531	59.9
129.86139	0.8
145.08572	22.9
185.08058	1.0
203.07068	1.1
213.09090	1.9
216.04131	2.4
231.02805	0.9
231.06421	2.3
231.08478	11.3
231.10342	1.3
254.79372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1543
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01860	0.7
57.03432	0.3
58.06302	0.3
58.06590	5.2
59.07380	0.9
59.83226	0.2
60.08155	6.0
61.02897	0.3
68.05014	1.0
69.96404	1.5
70.06578	31.2
71.04961	0.3
72.08155	0.8
76.34557	0.3
84.04479	0.3
84.08155	0.3
85.02900	0.3
96.08115	1.2
97.02865	0.2
98.06003	0.4
99.04436	0.4
101.00852	0.4
114.05502	3.1
114.09129	1.2
116.07064	1.1
118.26529	0.2
119.01892	1.5
120.01984	0.4
124.07561	3.1
126.09142	0.8
127.03937	0.2
133.99733	0.2
134.99791	0.2
137.02968	0.4
142.08611	27.6
143.09006	0.2
161.02846	0.3
163.03889	0.6
170.08154	1.5
183.11467	0.3
187.00891	0.3
187.04599	0.3
195.08952	0.2
215.00281	0.5
229.15430	100.0
230.15762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
56.07408	0.4
57.03434	0.5
57.07066	0.6
58.02103	0.3
59.04980	0.5
67.05496	8.8
67.53857	0.3
68.16122	0.4
69.07056	9.2
70.06580	0.4
71.04983	3.8
75.04453	1.0
79.05468	0.5
81.07048	3.5
83.04956	0.5
83.08590	0.4
85.06528	0.4
86.06036	0.4
91.05457	1.4
93.07050	2.2
93.31205	0.4
95.04951	7.0
95.08594	6.0
97.03796	0.5
99.00808	0.7
105.07024	2.0
107.08575	1.4
109.10139	100.0
110.10481	1.0
119.08564	4.6
121.06490	1.6
123.10983	0.3
123.11686	12.9
127.11173	37.7
131.08546	0.4
133.10110	5.7
137.09586	9.0
139.07555	0.6
141.06938	0.5
142.07706	0.4
143.08542	1.3
145.06561	0.4
145.10100	0.5
151.11134	1.9
155.08691	0.4
155.10632	4.4
161.09589	6.0
165.47115	0.4
169.10153	0.4
169.12177	0.9
173.11710	10.8
179.10637	14.8
183.11734	0.7
197.11713	12.9
211.11504	0.5
211.13277	2.3
211.15050	0.6
229.12244	0.7
229.16154	0.5
229.23521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	4.7
59.07365	1.1
60.07880	0.4
60.08155	5.5
68.05006	0.9
70.06583	28.6
70.62572	0.5
70.62960	0.5
72.08120	0.3
80.55120	0.2
96.08103	1.1
98.06035	0.7
108.14996	0.3
114.05502	2.7
114.09126	1.2
116.07043	0.8
124.07561	2.7
126.09124	0.3
131.79178	0.2
142.08620	26.9
170.08081	1.4
200.80153	0.3
211.08302	0.3
229.15442	100.0
230.15784	1.8
242.16072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1429
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05499	7.9
57.03157	1.1
57.03425	20.3
57.07066	1.3
59.04983	5.3
65.03917	1.2
65.05078	0.8
67.05493	100.0
68.05817	1.1
69.03392	0.8
69.07029	2.0
71.03752	1.5
71.04974	3.3
79.05489	1.2
81.07037	13.5
83.08595	6.9
85.06506	2.3
86.06047	1.2
91.05464	6.3
93.07018	3.3
95.04953	1.2
95.08580	6.7
99.00792	1.6
99.08114	0.9
105.07018	1.0
107.08554	2.3
109.02905	0.8
109.10137	87.2
110.10477	0.9
111.08041	2.6
111.26604	0.7
113.05992	0.9
119.08585	5.5
137.09589	4.4
155.10625	5.1
173.11710	33.1
183.11641	0.9
183.49559	0.8
187.11110	0.9
229.14291	41.8
229.23479	4.6
230.10152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2001
Annotation	butyl 9-decenoate
Peak:m/z	Relative Intensity
53.03926	0.7
55.01852	0.7
55.05500	8.1
57.03421	2.6
57.07067	6.7
59.04982	0.7
60.04485	0.6
65.03920	0.5
67.05492	13.2
69.03419	0.9
69.07057	8.0
71.01324	0.7
71.04601	0.6
71.04976	8.7
71.08617	2.9
72.93771	0.5
73.02904	4.3
77.86650	0.4
79.05482	5.8
81.06673	0.4
81.07050	4.0
82.04165	0.7
83.04960	4.3
83.08605	4.1
85.02882	1.6
85.06520	1.3
85.10165	1.8
87.03935	0.7
87.04448	11.5
91.05459	1.3
93.07031	4.8
95.04942	0.7
95.08586	4.4
97.06513	17.4
97.10140	2.0
98.21507	1.0
100.11221	3.1
101.05998	1.4
105.07016	0.5
107.08563	2.0
108.75272	0.4
109.10138	1.6
110.87334	0.4
111.08071	1.4
113.96395	0.6
115.07528	1.1
121.06546	0.7
121.10149	2.2
125.09592	0.7
129.09099	1.0
131.08554	0.4
131.97415	1.2
134.47502	0.4
135.11656	1.1
143.08484	0.6
143.10625	0.4
145.10052	0.5
163.11194	0.5
167.07028	0.5
171.11627	0.5
183.11682	0.6
200.08942	0.5
209.16505	0.8
209.18816	0.4
227.12508	2.0
227.20010	100.0
228.20427	1.4
228.23116	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85663	0.6
53.38364	0.6
55.01858	0.9
55.05499	12.2
57.03430	5.1
57.06835	0.7
57.07066	9.9
57.19671	0.7
57.66356	0.6
67.05492	7.4
69.03408	1.1
69.07050	11.0
71.01336	2.9
71.04955	2.2
71.08604	3.0
71.09842	0.9
71.10199	2.2
71.78345	0.7
73.02905	21.0
78.32722	0.8
79.05476	5.4
81.07041	6.8
81.56161	0.7
83.04964	12.0
83.08609	7.5
84.08585	0.8
85.10181	1.1
87.04407	1.3
87.79810	0.7
90.51317	0.7
90.96905	0.7
91.05453	1.6
93.07025	5.7
95.04935	1.2
95.08585	6.1
97.06496	2.6
97.10149	2.6
100.11242	4.4
101.05989	2.1
107.08566	2.8
108.56501	0.6
109.10107	2.5
111.11695	0.8
112.24838	0.7
115.07539	3.2
119.08536	0.8
121.10117	3.1
125.51492	0.7
129.09056	1.1
135.11670	1.3
163.13843	0.7
200.02322	0.7
209.16647	1.0
227.10571	1.5
227.20009	100.0
228.12401	1.1
228.20457	0.9
228.23170	1.7
228.70067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2
Annotation	butyl 9-decenoate
Peak:m/z	Relative Intensity
53.03940	1.3
55.01849	1.4
55.05271	0.8
55.05502	12.8
57.03425	3.9
57.06784	0.7
57.07061	9.5
62.40356	0.6
63.41616	0.6
67.05486	8.4
69.03413	1.2
69.07053	10.8
70.85204	1.2
70.85613	1.4
71.01335	3.5
71.04957	1.8
71.08608	4.2
73.02512	1.2
73.02902	20.8
79.05471	6.9
81.06658	0.6
81.07035	7.3
83.04964	11.2
83.08603	7.0
85.06522	0.6
85.10168	1.9
87.04440	1.7
91.05444	2.0
93.07027	6.9
95.04948	0.9
95.08191	0.4
95.08594	4.8
97.06490	1.7
97.10159	3.3
98.20825	0.8
98.21394	0.6
100.11237	3.8
101.05993	1.7
107.08582	2.8
109.10133	2.0
111.08022	0.9
115.07536	3.1
121.10125	3.6
125.09554	0.7
129.09097	1.4
135.11656	1.3
157.70009	0.8
158.07489	0.7
186.07654	0.7
209.15218	0.7
227.10722	1.3
227.20003	100.0
228.12248	0.9
228.20299	1.2
228.23145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
50.13467	0.4
53.03930	0.6
55.01844	1.1
55.05499	12.2
55.84882	0.5
57.03428	4.5
57.07067	8.8
60.97567	0.4
67.05178	0.5
67.05493	7.7
69.03390	1.6
69.07055	10.1
71.01337	3.0
71.04969	1.8
71.08624	3.4
73.02901	21.3
74.88102	0.4
79.05482	6.2
81.00401	0.5
81.06660	0.5
81.07046	5.4
83.04963	12.7
83.08607	6.0
85.10145	1.3
87.04446	1.3
91.05455	1.2
93.07035	5.9
95.04941	0.7
95.08585	4.8
97.06520	2.0
97.10128	3.4
98.21462	1.1
100.11209	0.7
101.06005	2.3
107.08565	2.8
109.10134	2.3
111.08042	0.5
115.07555	3.2
119.54658	0.4
121.10112	3.1
123.11665	0.6
129.09093	1.0
134.97745	0.5
135.11617	1.1
203.78238	0.4
227.20009	100.0
228.20358	1.5
228.23102	0.5
234.36885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03933	2.7
55.01841	4.5
55.05501	13.6
57.03402	4.4
57.07060	8.6
59.04971	5.5
61.55363	1.2
62.41814	1.2
67.05503	8.7
68.04999	1.3
69.03397	4.3
69.06741	1.5
69.07056	20.6
70.06555	2.9
71.04610	1.4
71.04977	21.1
71.08575	1.6
71.10862	1.7
71.11192	2.3
72.93757	5.7
73.02888	2.6
73.06513	1.5
74.36028	1.3
79.05479	7.5
81.03404	2.6
81.07050	16.3
81.84596	1.3
83.04950	4.7
83.08595	9.5
84.08121	1.5
85.06524	6.8
86.09622	1.6
90.94813	1.5
91.05459	7.0
93.06478	2.1
93.07020	22.9
95.04949	100.0
95.08076	1.4
95.08592	17.1
97.06517	28.2
97.10135	8.6
99.04437	17.5
99.08073	27.3
100.11243	8.8
105.07025	9.8
107.04922	2.8
107.07895	1.9
107.08571	21.2
109.06495	20.8
109.10134	12.8
110.07115	1.6
111.04386	3.1
111.05582	1.6
111.08054	7.7
113.09641	1.7
113.96360	7.7
115.06825	1.9
115.07549	23.7
117.03403	1.6
117.06947	2.7
119.08580	10.4
121.06464	5.3
121.10112	21.5
123.04369	3.0
123.08045	4.0
123.11648	7.5
125.05965	1.7
125.09615	9.0
127.07535	15.8
131.08502	5.6
131.97408	12.4
133.09154	2.3
133.10103	34.2
135.02522	1.3
135.04370	3.2
135.08020	7.9
135.11688	7.0
137.09567	4.1
139.07515	1.9
139.11156	11.8
143.10632	4.0
145.02754	2.0
145.10081	3.0
147.11632	9.4
149.05914	2.8
149.09549	3.4
149.13223	9.4
151.07457	1.5
151.11127	7.5
153.09088	34.4
153.10284	1.2
155.06935	3.9
161.01161	1.7
163.03877	10.0
163.11171	2.4
163.14775	4.5
165.12753	2.0
167.07010	10.5
167.10567	1.4
167.14322	1.8
171.10110	15.2
173.12061	1.5
173.13249	16.3
177.05426	6.0
181.04849	3.6
181.06369	1.6
181.08456	3.4
183.94931	1.2
191.10649	2.0
191.14278	13.8
209.08041	3.7
209.11470	1.8
209.15257	20.9
210.07553	5.2
215.03763	1.6
227.06966	4.4
227.10254	4.1
227.12766	2.3
227.16336	60.7
227.20013	5.2
227.23552	1.6
228.08565	1.4
228.23155	1.8
249.02902	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
55.05494	4.4
57.03430	6.2
57.07050	3.5
59.04981	1.9
67.05484	4.3
69.03403	2.7
69.07052	6.2
70.31905	4.5
71.04979	14.7
73.06541	1.1
75.04464	5.2
79.05447	2.6
81.07039	8.3
81.34209	0.9
83.04950	3.4
83.08598	3.8
85.06524	6.1
91.05448	2.9
93.07027	9.1
95.04948	100.0
95.08590	8.9
97.05927	1.5
97.06514	16.8
97.10176	4.2
98.97551	1.2
99.04435	19.0
99.08071	15.4
100.11240	4.2
105.07005	5.3
107.08564	12.2
109.06502	12.3
109.10138	7.3
111.08018	2.6
113.09586	1.5
115.07520	3.6
119.08556	4.6
121.10118	12.2
123.08039	1.7
123.11661	3.8
125.05932	1.4
125.09613	9.7
127.07550	6.5
131.08522	1.6
133.10104	23.9
135.07993	2.2
135.11656	4.0
137.09579	3.9
139.11148	6.7
141.11443	1.4
143.10683	7.2
145.10095	1.2
147.11661	8.0
149.09555	1.8
149.13223	5.4
151.11128	3.6
153.09081	30.8
153.12663	3.5
158.99599	1.0
163.14774	2.0
165.12804	1.9
167.06892	1.6
171.10147	15.6
173.13251	9.9
183.13695	1.6
191.14296	10.6
198.04486	0.8
209.15326	21.4
213.17891	1.9
217.33113	0.9
227.16360	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.83782	1.3
55.05482	4.8
56.56824	1.4
57.03420	2.7
57.07063	3.6
59.05005	6.8
63.15484	1.5
64.48161	1.3
67.05469	6.0
69.03424	3.4
69.07049	9.0
69.68135	5.1
69.68573	7.0
71.04981	22.6
73.06541	2.3
78.12906	1.3
79.05472	5.1
81.07047	16.2
83.04955	4.7
83.08585	5.3
85.06522	8.0
91.05463	5.8
92.67757	1.6
93.07022	21.9
95.04954	100.0
95.08590	15.6
97.06512	21.7
97.10143	4.0
99.04451	11.9
99.08080	34.2
100.11211	1.5
105.07014	9.5
107.07900	1.8
107.08581	22.4
109.06496	23.4
109.10147	8.4
110.16029	1.4
111.08046	5.8
113.09663	2.3
113.21568	1.5
115.07542	12.8
117.06985	1.5
119.08585	8.4
121.10129	20.9
123.08041	2.7
123.11688	7.4
125.09615	10.7
127.07546	19.2
131.08514	5.6
133.10104	43.7
135.08029	6.1
135.11656	7.7
137.09572	4.3
139.11153	17.8
143.10622	3.9
145.10039	1.9
147.11656	11.1
149.09619	1.9
149.13231	12.8
151.11139	4.6
153.09090	34.5
158.10811	2.3
163.14798	7.1
165.12709	3.4
171.10146	15.0
173.13242	16.0
191.14293	18.3
209.15303	22.8
227.16379	76.5
228.16678	1.9
232.54608	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
55.05505	14.7
56.96577	1.6
57.03424	3.5
57.07048	1.4
61.29330	1.3
61.41930	1.3
67.05486	6.4
68.99783	10.6
69.03404	2.4
69.07059	4.9
70.31504	5.6
71.04987	1.5
79.05483	6.0
81.07038	12.0
83.04963	2.8
83.08607	39.4
85.06524	1.2
85.10178	5.1
91.05461	25.2
93.07022	12.9
95.04955	32.7
95.05564	2.0
95.08557	1.9
98.97570	2.5
100.11230	5.8
101.02389	7.8
105.07040	3.3
107.04935	1.9
107.08576	53.3
108.05270	1.3
109.06500	32.0
109.10139	12.4
111.04453	1.9
111.08064	100.0
119.03412	5.6
119.04909	2.3
121.10198	1.9
123.08053	2.5
125.09605	17.3
127.07530	3.5
131.08517	1.8
135.08041	13.7
137.05948	8.9
149.09555	8.3
151.07559	7.4
153.09087	62.8
154.09579	1.3
155.06995	8.3
167.07076	6.5
167.10658	5.6
169.08574	85.1
177.05510	2.1
177.09094	4.2
177.23553	1.2
185.11714	25.1
185.13278	1.8
195.10132	73.0
209.11688	3.0
227.07043	1.5
227.12692	3.1
227.17744	1.3
245.24158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1274
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
55.01864	1.7
55.05497	19.3
56.96535	1.3
57.03427	4.0
57.07058	2.8
58.07985	1.4
59.04983	2.3
59.44739	1.2
63.61384	1.3
67.05480	7.1
68.99772	10.4
69.03414	5.6
69.07052	9.1
71.04980	4.1
71.43073	1.2
71.79149	1.8
72.93788	3.3
73.78903	1.2
79.05482	11.1
81.07038	18.3
82.41280	1.3
82.64081	1.2
83.04968	5.8
83.08604	38.8
84.08131	2.1
85.06533	3.3
85.10167	4.8
91.05463	28.3
93.07023	15.3
95.04951	32.9
95.08592	4.2
97.06535	4.0
97.10170	3.3
99.04463	2.8
99.08080	1.9
100.11243	23.0
101.02367	5.1
105.07027	3.3
107.04920	3.1
107.08574	51.5
109.06503	30.8
109.10149	14.0
111.04420	3.4
111.08062	100.0
113.96386	4.9
117.05434	1.9
117.06981	1.4
119.03410	4.3
119.08566	1.8
121.06504	3.5
121.10107	4.3
123.04471	1.6
125.09611	21.9
127.07581	2.6
131.08487	3.1
131.97424	6.2
133.10107	1.9
135.08047	12.4
135.11699	2.5
137.05940	11.5
140.04582	1.6
141.09058	1.8
149.02339	3.6
149.05992	1.5
149.09596	8.3
149.13232	2.2
151.07544	7.5
153.09081	63.5
155.07043	9.1
167.07024	15.4
167.10635	7.7
169.08574	86.9
177.05440	4.2
177.09097	5.1
181.04973	1.7
185.11708	23.3
191.10759	1.6
195.10130	76.3
199.07446	2.8
208.96054	1.3
209.06198	1.5
209.08066	3.4
209.11739	4.5
209.16560	2.9
227.07039	4.5
227.10593	4.3
227.12543	10.2
227.17691	10.5
228.23175	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Genipin
Peak:m/z	Relative Intensity
51.94900	0.6
53.03964	1.8
55.01857	6.2
55.05496	3.5
57.03445	1.2
57.07073	1.2
61.02589	0.5
63.89352	0.6
65.03933	6.7
67.05490	4.0
69.03451	2.7
69.07076	3.0
70.06596	0.7
71.04985	5.1
71.46793	1.0
71.47129	0.6
72.93771	0.8
73.02906	37.3
79.05480	3.9
81.07055	3.6
82.04195	1.4
83.04958	1.5
83.08633	2.8
85.02885	5.6
85.03293	0.6
85.06553	2.0
85.37949	0.8
86.09706	0.9
91.05458	4.5
93.03398	1.6
93.07034	7.7
95.04953	25.1
95.08598	4.8
97.02888	1.5
97.06510	6.7
97.07066	0.6
97.10158	1.2
99.04433	4.0
99.08079	7.9
100.11237	11.4
103.05477	2.6
105.07040	2.7
107.04965	1.6
107.08562	4.8
108.02084	0.9
109.06503	3.9
109.10154	2.8
110.03673	2.4
111.04446	2.0
111.08095	1.0
113.06083	0.8
113.27712	0.6
113.96398	1.3
115.07575	2.1
117.06974	0.6
119.08568	1.9
120.45766	0.6
121.06491	9.7
121.10119	5.4
123.04409	9.1
123.08056	1.9
123.11722	1.1
125.02361	2.6
125.05996	2.9
125.09619	3.0
127.03882	1.8
127.07520	4.8
131.08543	1.5
131.97430	1.8
133.10106	8.3
135.08058	2.1
135.11731	1.4
137.09579	1.2
138.03104	1.3
139.03873	0.7
139.11157	3.4
140.04660	48.7
142.02591	2.6
143.08533	0.9
143.10669	0.7
147.11687	1.5
149.05978	2.8
149.09584	1.2
149.13246	2.2
150.33849	0.6
151.11143	1.1
153.05440	1.5
153.09059	8.0
155.07005	69.1
163.14804	1.8
166.06154	0.9
167.07033	5.4
167.10565	1.2
171.06537	6.4
171.10121	1.7
173.08084	5.5
173.13231	3.6
177.05460	10.0
179.07011	2.2
181.04932	100.0
182.05251	1.4
191.10684	0.8
191.14293	3.9
209.08058	24.1
209.15324	2.9
210.14944	0.7
227.07120	1.6
227.09087	26.9
227.16133	12.0
227.23581	0.8
229.58211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1223
Annotation	N-(2-Phenylethyl)benzamide
Peak:m/z	Relative Intensity
50.01600	0.2
51.02363	0.4
53.03935	2.0
59.58867	0.2
62.00669	0.2
63.64125	0.2
64.59029	0.2
70.18839	0.2
73.35391	0.2
77.03883	0.8
79.05475	3.9
81.03379	0.4
81.07014	0.2
85.33944	0.2
95.04381	0.3
95.04955	4.4
95.05553	0.2
98.20663	0.4
101.00585	0.2
103.05442	2.1
105.03374	100.0
105.07005	49.0
106.03687	0.8
106.07335	0.5
107.04983	0.3
120.08070	0.3
122.05997	0.9
226.12241	21.7
227.12529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
56.05020	0.2
57.05799	0.5
57.06793	0.3
57.07067	4.5
58.06586	0.3
60.04478	0.1
67.05495	0.8
69.07055	1.1
70.06587	2.7
71.04969	0.2
71.08620	4.3
72.04510	0.5
72.08144	13.4
72.62892	0.1
79.05477	0.3
81.03407	0.4
81.07044	1.5
82.06573	0.2
83.04958	0.2
83.08606	0.6
84.04516	0.2
84.08127	0.2
85.09663	0.2
85.10170	2.4
86.06046	0.1
91.05444	0.2
93.07020	0.2
94.06553	0.2
95.08597	1.8
96.08109	0.9
97.06538	0.1
97.10149	0.2
98.06031	2.0
98.09652	0.1
100.07603	0.5
100.11250	0.2
105.03381	0.2
107.04939	0.3
107.08553	0.1
109.10159	0.2
110.09674	0.5
110.22494	0.1
112.07563	0.2
113.08381	0.5
114.09127	0.2
120.05551	0.4
126.09113	0.2
128.10678	0.3
136.07565	0.3
142.12364	0.1
166.08693	0.2
180.17424	0.1
196.20587	0.7
198.22154	0.2
208.20551	0.3
224.20067	0.1
226.21623	100.0
227.21968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03934	1.8
55.05499	8.1
55.31410	1.0
57.03463	1.2
57.07073	6.2
57.76451	1.1
59.04990	2.6
62.91547	1.1
65.03918	1.4
67.05508	5.5
69.03415	2.9
69.07055	6.4
70.64876	4.8
71.01323	2.5
71.04981	35.2
71.08636	1.2
75.62328	1.1
77.42728	1.1
79.05490	6.3
81.03384	1.7
81.07043	11.9
83.04964	5.5
83.08604	9.1
85.02892	3.1
85.06530	4.3
87.04455	1.8
91.05470	5.4
93.07025	9.0
95.04927	5.4
95.08588	12.0
97.02881	1.9
97.06522	15.4
99.04439	100.0
99.08079	2.4
105.03377	13.4
105.06998	12.1
106.03707	7.8
107.04936	1.9
107.08577	41.2
109.06494	26.5
109.10143	5.2
111.08048	3.3
111.11664	2.7
113.05914	1.4
113.09649	4.7
116.76659	1.2
119.04900	1.8
119.08572	4.8
121.06493	3.2
121.10130	16.4
123.04490	1.4
123.08037	19.8
123.11691	15.0
125.09618	9.9
131.08597	2.8
133.06543	1.6
133.10080	8.1
133.51057	1.2
135.08008	1.7
135.11667	2.2
137.05957	1.8
137.09601	2.9
137.13231	3.5
139.11172	5.2
141.12732	2.2
143.08478	1.2
145.10123	1.4
147.04427	1.4
147.08018	1.4
147.11664	10.0
149.09589	15.1
151.03909	2.5
151.07491	2.7
153.12814	1.2
161.09608	6.2
161.13237	4.0
163.11200	2.4
164.72885	1.1
165.12712	18.4
167.10652	33.2
175.03973	1.5
179.10623	1.7
179.14279	3.3
183.13782	45.0
183.15416	2.5
189.09044	2.3
189.12744	5.1
201.98523	1.1
207.06516	2.8
207.13777	11.4
225.09135	1.4
225.11264	2.4
225.14790	30.2
240.54305	1.2
247.65494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.31524	0.7
55.05510	5.1
55.57808	0.7
57.03424	2.5
57.07059	1.9
59.04995	1.5
60.95971	0.7
67.05502	4.8
69.03435	4.5
69.07066	3.4
71.04974	2.6
71.30357	1.6
79.05489	4.8
81.07040	9.0
83.04969	41.8
83.08610	1.7
85.02880	1.7
85.06538	4.3
87.04480	1.6
90.12278	0.7
91.05441	4.7
93.07037	5.5
95.04936	5.2
95.08602	10.2
97.02863	1.2
97.06509	3.1
99.04455	2.7
99.08084	10.4
105.03384	1.4
105.07017	7.4
107.04915	0.8
107.08569	9.0
109.06503	46.0
109.10151	3.9
111.04435	17.3
111.08054	1.4
113.09698	1.0
119.04933	1.3
119.08559	5.8
121.06474	4.0
121.10123	10.0
123.08054	100.0
123.11690	3.0
124.08414	0.9
125.09626	7.8
127.07541	1.7
131.08572	1.6
133.10094	4.5
135.08038	1.9
135.11670	1.7
137.05966	1.3
137.09605	2.8
137.13194	0.8
139.11131	1.4
141.09094	2.4
145.10129	1.5
147.08057	1.1
147.11652	4.8
149.09583	8.8
151.07535	3.8
151.11150	3.7
156.09341	0.9
161.13263	4.1
163.11153	4.4
165.07002	1.4
165.09097	1.1
165.12756	9.8
167.06944	0.7
167.10658	11.9
169.08585	2.4
169.10005	0.9
171.11618	1.4
174.10408	1.0
175.03938	1.3
179.14183	1.6
180.84068	0.7
181.12134	3.8
189.12712	5.4
191.07140	0.8
193.06471	1.2
207.06596	1.6
207.13776	19.7
207.15608	1.3
225.09128	2.4
225.11238	1.4
225.14828	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	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03930	3.8
55.01881	3.5
55.05500	10.9
57.03436	3.1
57.07066	6.5
59.04977	1.9
65.03924	2.1
67.05493	29.6
67.87606	1.5
69.03418	100.0
69.07066	11.8
70.26357	7.7
71.04984	8.7
79.05473	20.1
81.03419	5.9
81.07042	39.7
83.04977	10.9
83.08597	5.3
85.02895	4.5
85.06555	2.1
87.04462	1.8
91.05457	18.8
93.07027	21.3
95.04949	19.6
95.08590	30.0
97.02877	3.9
97.06505	10.4
98.66454	1.5
99.04437	10.3
103.05467	2.1
105.03349	3.3
105.07010	50.6
105.07710	2.9
107.04947	6.4
107.08585	19.9
109.06506	25.3
109.10122	16.2
111.08056	12.1
113.05979	2.8
115.05461	2.0
117.06995	1.8
119.04903	4.3
119.08549	32.6
121.06478	7.9
121.10120	31.5
122.07269	4.9
123.04409	17.7
123.08054	20.1
123.11692	7.1
125.09589	5.1
131.08559	5.2
133.06474	16.1
133.10103	56.4
135.08037	5.6
135.11661	5.6
137.05963	9.1
137.09590	48.8
139.07550	2.1
139.11153	28.5
139.12112	2.6
143.08583	2.9
145.06461	1.6
145.10042	7.3
147.04385	2.5
147.08043	6.9
147.11656	37.9
149.09581	21.0
149.63821	1.5
151.07527	9.9
151.11154	5.1
153.09090	3.4
156.09296	9.0
159.08057	3.4
159.11630	2.9
161.09625	4.2
161.13246	19.5
163.11134	10.2
165.09044	2.1
165.12747	4.0
167.10626	5.1
171.11639	14.9
174.10353	10.8
175.03961	2.2
177.12733	3.4
179.10664	2.3
179.14250	2.8
181.12196	1.9
183.13730	2.2
189.12709	33.1
197.05835	2.5
207.06509	5.7
207.10159	4.4
207.13760	45.7
209.03494	1.7
225.09198	3.7
225.11215	3.9
225.14816	13.1
225.19572	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.24673	1.1
55.05488	5.7
57.07051	4.5
59.04974	2.8
61.61057	1.2
67.05491	20.2
69.03425	1.4
69.07053	2.9
69.98331	6.7
69.98739	2.9
71.04975	2.6
79.05465	2.5
81.07027	4.1
83.04939	2.7
85.06525	8.3
91.05476	2.7
93.07018	5.9
95.04923	2.2
95.08588	100.0
97.06488	2.1
99.04428	6.0
105.06994	5.9
105.39488	1.5
107.08549	9.4
109.06475	4.5
109.10105	1.8
113.06001	8.2
119.08551	11.8
121.10107	6.4
123.08051	34.2
123.11680	2.3
124.20915	1.2
133.10104	3.4
135.11673	10.5
137.09589	2.5
141.09087	4.3
147.11688	4.0
149.09598	14.9
151.07475	2.7
161.13213	8.7
163.11157	3.1
165.12689	5.3
174.10475	1.3
179.14279	2.0
183.13779	1.5
189.12738	5.2
207.13751	10.8
225.14716	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	225.1482
Annotation	MKN-003A
Peak:m/z	Relative Intensity
51.43160	0.5
53.03943	0.4
55.01849	0.8
55.05507	9.1
56.09716	0.4
57.03428	0.7
57.07056	1.1
59.05003	0.4
64.60796	0.4
65.03911	0.7
67.05495	3.2
69.03401	0.7
69.07053	1.9
71.04974	3.0
71.12014	0.8
71.12357	0.7
72.24826	0.4
78.16946	0.4
78.46313	0.5
79.05485	1.2
81.03407	0.6
81.07040	5.7
83.04491	0.9
83.04971	14.7
83.08617	0.6
85.02893	1.2
85.06525	0.8
87.52253	0.4
91.05458	1.7
93.07036	1.5
95.04954	100.0
95.08601	3.1
96.05331	0.8
97.02869	0.7
97.06524	1.8
97.10091	0.5
99.04440	17.1
99.08098	1.1
105.03356	0.7
105.07027	1.6
107.04923	0.7
107.08596	3.7
109.06511	3.0
109.10136	3.6
111.04440	0.6
111.08078	1.4
115.03919	0.8
119.07817	0.4
119.08564	2.5
121.10130	3.5
123.04377	0.5
123.08057	5.2
123.11686	1.9
125.05961	2.7
125.09640	2.6
127.07507	0.5
127.11171	1.5
128.94217	0.4
131.08603	0.4
133.10104	1.1
135.08041	0.8
135.11656	0.5
137.09607	1.8
137.13245	1.1
141.09058	1.2
145.10121	1.0
147.11691	2.4
149.09560	2.5
151.07527	2.0
151.11154	1.7
153.09087	29.2
156.09306	0.6
161.09740	0.5
161.13220	1.6
163.11130	5.5
165.05518	0.8
165.09119	1.1
165.12730	1.8
167.10658	1.0
167.14293	0.6
169.08656	0.8
171.11804	0.7
175.03877	0.5
179.14317	0.7
180.04149	1.4
181.12198	1.5
183.13666	0.5
187.94511	0.4
189.12727	2.3
193.04950	0.9
207.06458	0.7
207.13795	3.3
225.07466	1.0
225.14813	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	225.1115
Annotation	Erigerenone C
Peak:m/z	Relative Intensity
50.23531	1.9
53.03920	3.1
55.01845	5.8
55.05523	2.1
57.03420	2.2
57.07048	4.4
60.35434	2.0
65.03925	3.4
67.05481	4.2
67.69433	1.8
69.03403	2.3
69.07063	2.8
71.04966	3.4
71.08618	2.4
71.79457	2.2
72.91998	1.8
79.05477	17.4
81.07014	7.0
83.04968	2.5
83.08595	3.0
85.02863	2.5
91.05473	13.8
93.07021	4.6
95.04941	5.4
95.08580	5.8
99.04401	6.6
100.11223	3.3
103.05434	12.4
105.03363	8.0
105.07011	100.0
107.04945	9.0
107.08571	3.9
109.06483	6.1
109.10111	3.1
110.03624	2.1
111.04415	3.8
115.05432	23.6
118.04133	10.0
119.04898	4.0
119.08541	5.0
120.05582	2.2
121.10112	4.0
123.08043	10.4
123.11686	3.8
125.05903	3.6
131.04865	3.2
132.05664	2.1
133.06467	81.2
133.07484	3.9
133.10065	2.3
134.09622	8.1
135.04385	2.4
135.08008	5.2
136.05185	4.0
137.05948	12.3
137.09558	2.2
143.04904	11.6
143.05876	2.2
146.03554	2.5
147.04388	3.8
147.07997	3.0
149.09550	2.6
150.06732	5.5
151.07512	68.2
153.05440	8.9
154.06221	5.8
161.05952	50.4
163.03882	33.3
163.07510	2.5
165.05447	2.8
165.09085	29.1
167.05693	3.3
167.07001	33.1
167.10677	3.1
168.07767	3.1
175.07506	2.8
178.06219	40.4
181.04906	8.4
193.08575	76.9
194.09276	2.0
207.06619	3.0
207.13799	2.5
210.08829	10.0
210.12846	2.0
225.09288	3.8
225.11166	88.3
225.14803	9.9
225.19566	7.0
226.09570	2.4
226.11713	2.1
226.15855	32.0
226.17969	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31816	1.1
64.98021	1.2
71.79945	1.5
71.80276	1.7
87.77850	1.2
91.06078	1.3
99.04469	1.5
101.00862	12.4
105.03419	1.3
111.84715	1.1
119.01900	100.0
124.02454	3.1
137.02928	30.8
142.03470	51.8
160.04521	21.2
161.02927	20.6
165.05116	1.8
167.10620	1.9
173.93253	1.2
177.00995	1.7
179.03975	45.3
184.04555	7.2
185.03116	1.1
198.49220	1.1
202.05557	5.1
202.94153	1.2
219.01811	2.4
222.88538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1277
Annotation	Maokonine
Peak:m/z	Relative Intensity
57.04733	0.5
57.07062	0.7
58.06587	3.7
59.04984	1.5
62.55455	0.6
68.05011	1.3
70.06567	0.6
71.04986	0.6
71.56249	1.3
71.56608	0.7
72.08158	0.6
74.66817	0.5
74.70946	0.6
76.07621	0.6
79.05482	4.4
80.05025	0.7
81.07008	0.6
83.04958	0.8
84.08145	0.9
85.02870	0.8
91.05459	8.5
93.07045	1.7
95.04939	1.6
103.05450	10.7
105.03378	1.1
105.07013	32.2
107.04942	5.2
115.05424	0.7
117.06999	1.4
118.06520	14.2
119.04925	1.3
119.07308	1.0
120.08083	22.4
123.02531	0.7
128.06174	4.8
128.61539	0.6
130.06490	2.1
131.04918	3.9
131.07304	2.7
131.08553	1.6
132.08070	2.0
136.07549	6.2
138.64767	0.6
143.08521	3.7
147.04375	1.1
149.05927	0.9
150.02600	1.4
152.48064	0.6
158.09644	0.8
160.11188	100.0
161.11496	1.1
163.11145	1.2
165.05402	1.2
178.08878	3.7
178.12234	88.7
179.12491	0.8
182.08080	1.3
206.11736	16.5
207.06459	1.0
224.09149	2.4
224.12769	50.2
225.04129	0.7
225.14853	0.7
226.04248	2.0
226.06557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.9719
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86984	3.2
68.47873	3.6
69.18320	3.1
71.78090	5.1
86.09673	5.8
86.95372	3.3
92.04055	3.3
94.92992	17.4
125.98808	3.5
128.64659	3.9
135.70212	3.7
163.88530	3.8
164.95355	5.1
205.96153	10.8
206.10287	4.2
212.10623	3.8
212.86722	3.8
223.97195	100.0
224.02783	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	224.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03699	0.3
53.03936	2.6
54.07127	0.2
55.01872	0.3
55.78592	0.3
56.30044	0.2
63.05959	0.2
65.03949	0.3
67.86224	0.3
71.00440	0.2
74.08647	0.3
77.03913	0.5
81.03390	0.5
95.04957	5.1
100.21119	0.3
101.94997	0.4
105.03375	100.0
106.03712	0.9
119.08578	0.3
119.96053	0.6
137.97093	0.5
141.69287	0.3
149.02315	0.4
150.02655	0.6
150.09070	0.3
152.03371	0.4
153.96849	0.2
160.98726	0.6
178.08685	0.4
206.08044	0.4
207.13869	0.3
224.07420	1.9
224.10730	6.9
224.12804	0.4
224.17168	0.2
224.20125	0.3
225.09126	0.3
225.14870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38656	2.1
53.03940	2.7
55.05503	45.5
57.06835	3.3
57.07073	41.9
59.04999	2.5
64.51897	2.4
67.05494	7.8
69.07058	100.0
71.08640	15.6
71.79674	3.8
72.08189	2.3
76.01894	2.1
79.05497	3.2
81.07027	5.3
83.04985	2.7
83.06103	3.1
83.08611	57.6
85.10169	7.0
91.05447	3.6
93.07018	2.7
95.04953	3.2
95.06091	2.4
95.08573	4.5
96.08092	2.1
97.07637	2.9
97.09566	3.7
97.10161	51.7
107.08600	3.8
109.06472	3.1
110.07132	4.3
111.05560	2.6
111.11688	27.9
114.10259	2.6
119.08492	3.1
121.02885	3.1
121.06470	5.2
122.07150	7.1
123.07965	4.1
124.08747	3.3
125.13263	7.3
131.08534	3.6
135.07945	3.8
137.08232	3.0
138.10153	3.3
139.08656	2.9
139.09761	3.1
148.12376	2.3
149.02328	18.4
163.09790	16.9
163.11095	3.8
164.08212	3.6
181.10751	6.2
223.05856	3.2
223.13339	4.1
223.16899	9.0
223.20517	3.5
224.09167	10.5
225.04387	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	223.1688
Annotation	Sulcatin
Peak:m/z	Relative Intensity
52.57693	1.0
53.03923	2.0
55.01847	2.1
55.05503	18.0
56.03948	1.1
57.03431	2.2
57.07082	9.0
59.04985	2.1
62.74576	1.1
65.03927	1.5
67.05491	11.4
69.03419	6.6
69.07053	13.2
71.04949	1.2
71.08607	1.7
71.16812	1.2
71.79726	2.0
79.05481	12.9
80.57938	1.1
81.03397	9.5
81.07040	10.5
83.04967	65.2
83.08591	3.0
85.06533	2.4
91.05482	8.9
93.07039	15.4
95.04948	37.8
95.08571	6.1
97.02871	4.9
97.06501	3.8
99.04459	1.7
99.08067	1.3
103.05482	2.8
105.07012	6.1
107.04946	15.2
107.08573	8.6
109.02882	1.7
109.06469	4.8
109.10128	4.6
111.04420	42.4
116.29251	1.4
117.06981	3.8
119.08562	6.0
121.06492	42.1
121.10126	4.4
123.08022	2.7
123.11654	1.5
125.05989	1.9
125.09560	1.3
131.08521	6.6
133.10121	4.3
135.08086	6.7
135.11668	3.3
137.09569	1.2
139.07516	1.5
145.10085	5.3
147.11646	1.6
149.02315	20.8
149.09579	2.9
159.11703	2.3
160.42279	1.2
163.11157	2.5
167.04622	1.8
167.57957	1.2
167.59721	1.4
173.13211	2.3
177.05379	2.0
180.09319	1.3
187.14870	1.4
193.15839	3.9
205.08479	1.5
205.12177	2.2
205.15816	3.9
208.12477	1.6
223.06006	4.5
223.11078	5.4
223.13231	4.3
223.16884	100.0
223.20435	3.3
225.04243	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1689
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
53.03927	0.5
55.01845	1.0
55.05261	0.5
55.05498	6.6
57.03403	0.8
57.07063	3.5
57.81462	0.3
65.03907	0.7
67.05494	3.4
67.35726	0.3
68.27673	0.4
69.03423	2.3
69.07057	4.1
70.32169	0.7
70.32572	1.2
71.01330	1.1
71.04962	0.7
71.08601	1.3
79.05482	4.6
81.03401	3.8
81.07040	4.5
83.04964	24.5
83.08578	0.9
85.02884	0.9
85.06526	0.6
91.05474	3.4
91.17085	0.3
93.07029	4.3
95.04949	14.0
95.08595	2.3
97.02866	3.5
97.06516	0.7
99.04401	0.4
102.83568	0.4
103.05445	1.2
105.07002	1.6
107.04942	5.3
107.08566	2.5
109.02848	0.8
109.06486	1.7
109.10117	1.5
110.03627	4.4
111.04422	20.9
111.08059	0.5
117.06987	1.2
119.08531	1.2
121.06479	13.4
121.10137	1.8
123.04388	1.3
123.08006	1.1
131.08530	1.7
133.10101	1.2
135.04382	0.5
135.08034	2.6
135.11624	1.1
137.09596	0.4
139.07526	0.6
145.10077	1.5
149.02319	3.9
149.09660	0.6
149.13281	0.5
159.11610	0.4
161.13110	0.4
163.11134	0.6
163.14690	0.4
167.07031	0.4
177.09068	0.5
177.12601	0.4
177.16315	0.4
193.15732	0.8
205.08498	0.7
205.12247	0.5
205.15785	1.2
223.05972	1.2
223.16885	100.0
224.09163	0.4
224.17253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
50.10505	1.4
53.03936	6.4
54.11873	1.6
55.01854	5.8
55.05508	7.5
57.03436	1.6
57.07056	5.7
59.04987	6.4
59.13432	1.8
64.35112	1.4
67.05495	14.1
69.03422	13.1
69.07061	8.5
70.12205	7.1
71.04966	2.3
76.17423	1.4
79.05479	10.9
81.03423	3.2
81.07043	12.4
83.04482	2.7
83.04970	27.8
83.08624	2.6
83.81094	1.4
84.08128	6.9
85.02904	2.1
85.06560	3.4
86.09695	6.4
88.39785	1.4
91.05466	35.0
93.07031	100.0
95.04956	27.4
95.08598	11.6
97.06525	9.3
99.04474	1.8
103.05457	6.9
105.03378	4.0
105.04488	1.7
105.07014	18.8
107.04948	4.8
107.08570	19.5
109.02892	2.7
109.06502	12.7
109.10158	5.3
111.08054	8.9
113.05997	4.1
115.05418	2.2
117.07002	9.8
119.05968	1.4
119.08561	10.6
120.08102	1.6
121.02873	3.5
121.06485	99.2
121.10109	16.7
122.06848	1.9
123.08070	4.7
123.11715	2.5
125.06032	2.3
125.09605	3.7
127.07521	11.9
127.16322	1.8
129.07027	5.7
129.10233	2.8
130.06505	4.4
131.04884	3.0
131.06865	17.8
131.08548	7.3
133.06535	2.4
133.10098	10.0
135.08026	11.6
135.11667	8.3
136.07521	2.1
137.06006	3.1
137.09634	3.9
139.07474	11.0
139.11140	1.9
142.07770	1.6
144.09332	4.0
145.06474	5.5
145.10103	12.4
147.07997	8.8
147.11700	3.9
148.07593	1.9
149.02319	21.7
149.05992	3.7
149.07870	4.5
149.09598	35.3
149.13235	3.4
153.09053	11.6
157.10124	5.6
159.06342	5.4
159.07993	1.8
159.11679	18.4
161.09612	4.9
163.03851	3.2
163.07541	2.4
163.11142	13.3
165.09106	4.9
167.07033	4.4
172.08839	3.1
175.11162	15.6
176.07042	3.3
177.05603	3.6
177.07390	21.5
177.09097	4.6
177.12683	14.8
179.10693	5.4
181.12222	2.9
187.11148	13.6
193.12242	7.1
205.08670	3.5
205.12167	26.7
205.13768	2.0
223.05846	10.2
223.07729	5.4
223.11197	2.5
223.13190	38.5
223.16650	1.8
225.04248	12.6
227.02258	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	223.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.9
55.01863	6.8
55.05489	8.3
56.96542	2.0
57.03427	3.2
57.07054	6.7
59.04978	5.6
65.03925	2.4
66.65985	1.4
67.05494	15.6
69.03413	13.3
69.07034	9.7
69.85677	10.3
70.06559	3.3
71.04958	2.9
72.76115	1.2
77.03915	2.0
79.05489	13.1
81.03397	7.2
81.07044	10.4
83.01255	1.4
83.04964	25.6
83.08585	5.3
84.08129	3.9
85.02869	5.4
85.06527	5.7
86.09686	2.8
86.21384	1.9
87.04446	3.3
89.06017	2.3
91.05458	33.4
93.07025	89.6
95.04951	26.3
95.08591	10.7
97.02856	4.1
97.06498	11.5
97.10176	1.5
98.98486	1.5
99.04430	3.5
101.06027	2.0
103.05445	4.9
105.03365	4.5
105.07015	20.0
107.04929	5.1
107.08574	25.8
109.02850	3.4
109.06497	14.0
109.09160	1.4
109.10114	6.9
111.04414	3.1
111.08082	11.7
113.05997	3.4
115.05360	2.6
117.07019	8.6
119.04893	2.3
119.08566	17.0
120.08059	3.3
121.02818	4.0
121.06479	100.0
121.08356	3.3
121.10117	20.9
122.06798	3.2
123.04408	2.2
123.08060	7.1
125.06020	3.9
125.07079	2.1
125.09607	6.5
127.07522	9.1
129.06993	4.4
129.10182	1.8
130.06496	5.3
131.04855	2.5
131.06859	17.7
131.08505	10.7
133.02885	1.8
133.04779	4.0
133.06467	2.9
133.10098	8.7
135.04381	3.7
135.08029	10.7
135.11656	10.0
137.05931	4.6
137.09575	7.8
139.04985	5.0
139.07532	11.5
139.11168	1.7
142.07753	2.1
143.08551	1.7
144.09294	2.5
145.06479	4.7
145.10086	9.7
147.08037	7.0
147.11613	3.2
148.07526	2.3
149.02312	42.3
149.05959	4.3
149.07892	7.4
149.09572	35.6
149.13258	3.3
151.03185	2.2
151.11142	2.5
153.05370	1.6
153.09074	7.8
157.10081	4.1
158.05974	2.1
159.06326	6.5
159.07996	4.9
159.11632	21.6
161.09604	5.1
162.03102	2.9
163.03816	1.9
163.07506	5.7
163.11143	14.2
165.09120	6.4
167.03368	1.9
167.04660	2.7
167.07037	7.3
167.08322	2.1
167.10599	1.7
172.08862	3.0
172.22926	1.4
175.11165	13.4
176.07141	2.2
177.05487	6.3
177.07368	26.0
177.09076	3.8
177.12695	13.5
178.08470	2.2
179.02730	2.6
179.10652	6.8
181.04907	1.8
181.08508	1.5
181.12149	2.1
187.11139	14.2
193.12213	4.9
195.11296	3.8
205.04953	3.5
205.08577	6.4
205.12148	30.5
223.02419	2.9
223.05772	17.1
223.07689	8.5
223.09613	3.0
223.11276	3.3
223.13133	40.2
223.16902	6.8
223.20619	1.7
224.09111	1.8
225.04257	19.4
227.02231	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	222.185
Annotation	Sarmentine
Peak:m/z	Relative Intensity
53.28968	1.2
55.05490	3.3
56.96523	1.1
57.06792	1.6
57.07066	35.6
67.05491	10.1
68.04991	3.0
69.07053	8.0
70.71339	2.7
71.08621	48.6
79.05460	1.7
80.04979	1.7
81.06596	1.8
81.07046	23.7
82.06537	1.4
83.04967	3.5
83.08614	2.0
85.06509	1.4
85.10170	26.4
91.05437	1.8
93.07043	2.1
95.04935	3.0
95.08591	28.6
96.04491	1.7
97.06474	1.3
98.97585	2.7
99.59586	1.0
105.07018	1.5
107.04945	1.3
107.08561	1.4
109.10109	1.5
110.35358	1.1
111.04420	2.0
116.98608	2.0
121.02908	1.1
121.06492	3.4
121.10114	1.1
130.06505	2.3
134.99657	6.8
135.07977	1.3
137.13260	3.6
149.02324	8.9
149.05948	2.2
155.14291	17.2
158.01196	3.1
166.12273	1.2
176.07063	1.9
177.05510	1.6
222.07561	2.1
222.18495	100.0
223.06021	1.8
223.16891	6.4
223.18831	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.3
55.05499	3.7
56.05021	0.3
57.07052	0.4
65.89683	0.3
69.07027	0.5
70.06559	0.5
71.77637	0.4
71.78033	0.4
79.05457	0.4
80.96204	0.3
81.07055	0.7
83.08606	5.5
84.08120	0.5
85.02882	0.5
86.09708	0.5
91.05453	3.6
93.07006	0.5
98.97527	0.6
101.09645	0.9
103.05460	1.2
105.06998	0.7
107.04906	0.3
109.10126	0.3
115.05483	0.5
116.98584	0.5
118.06523	0.8
119.04953	0.4
120.08093	10.0
121.06499	0.7
122.06851	0.3
129.10216	0.7
130.06506	94.1
131.04922	0.8
131.06854	1.7
132.04431	15.3
133.04770	0.3
134.06017	0.3
136.07539	0.5
136.74966	0.3
138.05508	0.4
146.06061	0.5
147.04399	1.5
148.07549	26.6
149.02321	1.4
149.07944	0.5
158.05992	29.7
159.06339	1.0
162.05461	1.2
163.03906	0.6
163.07556	0.5
176.07040	100.0
177.05438	0.3
177.07391	2.0
194.04498	1.5
194.16220	0.4
204.06546	0.6
205.08969	1.4
222.04039	0.9
222.07616	11.3
222.11047	2.0
222.14934	1.1
223.06020	0.6
223.13284	0.4
225.04308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0758
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
67.05494	0.6
69.03428	1.0
69.07057	0.4
70.06596	0.8
70.38524	2.0
79.05503	0.7
84.08154	0.5
86.09653	0.5
91.05447	1.0
93.07009	0.8
94.07399	0.5
95.04912	0.6
95.08576	0.7
98.97591	0.5
103.05458	0.9
106.06553	1.2
119.07426	0.5
119.08495	0.6
120.08087	10.6
120.08869	0.6
120.30448	0.5
121.06473	1.7
130.06503	96.5
131.06842	1.8
132.04424	15.9
134.06055	0.5
134.10475	0.5
136.07578	0.7
138.06381	0.6
146.05959	1.1
147.04402	0.7
148.07538	27.3
149.02235	1.2
149.05952	1.0
149.09552	0.7
151.00644	0.4
158.05989	31.0
159.06355	0.6
162.03223	0.6
162.05554	0.5
163.03864	1.1
176.07036	100.0
177.07370	1.5
180.06657	0.5
204.06548	3.0
222.04567	0.7
222.07596	11.7
222.11288	1.6
222.15398	1.4
223.05959	1.2
225.04289	0.7
239.70912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06571	0.5
70.10751	0.3
70.35272	1.9
91.05451	0.5
91.10490	0.4
93.07037	0.5
103.05441	0.6
105.47952	0.3
106.06556	0.5
115.05439	0.4
118.06538	0.7
120.08092	9.6
130.06509	97.4
131.06841	1.5
132.04431	14.9
146.05997	0.5
148.07545	30.4
149.08008	0.5
158.05997	30.3
159.06369	0.7
176.07045	100.0
177.07375	1.2
198.60641	0.4
204.06502	2.2
222.07590	11.5
222.11142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30910	5.1
56.57971	6.4
57.07060	7.4
57.83791	5.1
58.06584	15.9
60.92868	6.2
67.05486	5.6
69.07034	5.9
71.78321	9.3
81.05555	6.0
81.07063	10.2
84.08115	9.5
100.02480	8.7
119.01878	28.5
120.02010	23.1
120.08915	6.2
121.01665	8.4
130.01511	5.6
137.02939	21.8
138.03044	18.5
138.93816	6.4
139.91414	30.7
141.72351	5.5
142.03589	5.9
148.51501	6.6
149.01270	8.9
149.02391	7.3
151.01743	7.0
151.51582	9.0
156.97475	47.8
157.03514	14.2
160.02243	14.5
162.03127	13.4
165.77490	5.9
174.98524	100.0
180.04160	18.6
182.38837	5.6
189.17839	5.9
196.01491	7.5
196.51244	8.0
198.98608	20.7
199.02882	5.9
199.04478	14.9
216.99579	57.2
217.05515	11.2
217.09167	12.7
222.11299	7.3
225.04289	7.5
227.02208	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	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.63860	0.8
55.05289	0.8
55.05508	7.0
57.03432	1.1
57.07069	4.3
59.04981	2.4
67.05174	1.1
67.05495	11.6
69.07061	9.7
71.04966	4.0
71.08607	0.9
71.78635	0.9
79.05489	7.3
81.07042	29.3
83.04951	2.4
83.08602	4.4
85.06567	1.2
91.05462	10.0
93.07030	18.3
95.04971	2.8
95.08591	48.3
96.08927	1.0
97.06497	2.0
97.10143	1.6
98.97543	1.0
99.08115	0.8
103.05442	1.0
105.07013	34.1
106.07368	1.1
107.04971	1.3
107.08578	34.0
109.06493	1.5
109.10144	34.5
111.08055	3.0
116.98610	2.0
119.08563	71.7
120.08900	2.4
121.06509	1.7
121.10127	19.2
123.08050	1.8
123.11693	13.8
125.09631	1.2
130.06509	2.6
131.03725	0.9
131.08517	1.1
132.04417	1.5
133.06523	0.9
133.10107	30.6
134.10474	1.0
134.99617	2.7
135.11661	5.9
137.09584	3.1
137.13226	1.8
145.10124	1.9
147.04434	1.6
147.08012	1.6
147.11661	47.3
148.12025	1.4
149.06009	0.9
149.09615	0.9
149.13225	3.9
151.07559	1.1
151.11177	1.4
157.07584	1.2
158.01277	0.8
158.06009	3.1
159.11682	1.2
161.05891	1.5
161.09595	1.7
161.13246	19.8
161.14507	1.5
163.14766	10.3
165.05502	1.2
165.12747	2.1
166.27197	0.9
175.03915	0.9
175.08665	2.6
175.11211	2.1
175.14790	29.1
176.15019	1.1
177.16374	2.0
178.07788	0.9
179.10638	0.9
193.15797	1.0
203.03394	2.0
203.06972	1.3
203.10684	1.7
203.17924	100.0
204.18231	4.0
206.16226	3.0
221.04430	6.2
221.07877	4.5
221.11774	3.3
221.15582	5.5
221.18985	41.2
222.07544	1.2
222.11421	0.8
222.15091	0.8
222.19212	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05488	5.8
57.07050	8.9
58.44204	2.1
67.05496	13.4
69.07059	17.2
69.92133	8.4
69.92563	7.1
71.04963	5.3
79.05468	14.6
81.07037	37.4
83.08590	6.1
85.06528	5.6
91.05444	11.5
93.07027	36.7
95.04903	2.3
95.08587	44.3
97.06506	3.9
97.10118	2.8
105.07005	50.3
107.08569	79.7
109.06482	4.2
109.10134	37.9
111.08051	6.2
119.08547	42.9
121.10115	32.0
123.08013	6.2
123.11728	12.0
132.04364	2.1
133.10094	29.0
135.11661	30.4
137.09560	3.9
141.46339	2.2
145.10121	3.6
147.08011	3.1
147.11656	61.0
149.13274	14.7
151.11160	7.6
161.13257	25.3
163.14793	35.3
165.05464	5.8
165.12729	7.8
175.14799	6.5
177.16331	9.2
203.17912	100.0
204.18172	3.2
221.07542	3.8
221.11542	2.8
221.13387	2.6
221.15399	4.3
221.16972	4.7
221.18967	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.39762	1.1
55.05502	16.0
57.07064	7.5
57.11525	1.0
57.36530	1.0
66.23381	1.4
67.05492	29.8
69.07059	11.6
70.96950	3.7
71.04958	1.5
71.08595	2.2
79.05488	6.0
79.79372	1.1
81.06596	1.8
81.07043	25.5
82.45676	1.1
83.08605	14.4
85.06523	4.1
88.05591	1.1
91.05451	9.2
93.07022	20.4
95.04952	3.6
95.08591	39.0
104.49374	1.3
105.07013	34.6
107.08572	32.4
109.06489	3.2
109.10136	100.0
111.08057	3.2
113.09637	6.6
116.43565	1.1
118.24262	1.3
119.08553	29.7
121.10120	23.0
123.08028	5.8
123.11683	26.0
125.09601	2.7
131.08572	2.2
133.10104	23.4
135.11668	6.3
137.05927	1.9
137.13223	2.3
145.10115	2.0
147.11662	38.1
149.13228	58.6
151.11157	13.8
160.12488	2.1
161.13234	17.7
163.14778	5.6
165.05449	17.8
165.12674	6.9
175.14804	3.2
203.17920	86.6
218.15810	1.3
221.04375	1.6
221.07642	2.3
221.11673	6.3
221.15321	3.3
221.18961	62.3
226.65643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03927	1.4
55.05300	0.7
55.05506	7.0
57.07051	3.2
57.67797	0.8
59.04959	1.5
63.51096	0.8
67.05493	11.9
69.07057	12.7
70.97198	1.9
70.97572	1.6
71.04961	3.7
71.08607	0.9
79.05476	6.6
81.07043	30.4
82.07381	0.8
83.04953	1.3
83.08606	3.8
83.46892	0.8
85.06513	0.9
91.05461	9.3
93.07026	19.8
95.04929	1.0
95.08591	46.7
96.08902	0.9
97.06488	2.3
97.10149	2.9
99.08029	0.9
99.19556	0.7
105.07013	30.6
107.08576	33.1
109.06409	0.9
109.09385	1.6
109.10138	32.2
110.10458	0.8
111.08051	3.4
111.11695	0.8
119.08563	61.5
120.08951	1.1
121.06522	0.9
121.10126	18.3
121.69073	0.8
123.11690	11.9
125.09631	1.2
131.61710	0.8
133.10103	26.0
133.72231	0.8
135.11671	7.6
137.09564	1.3
145.10153	1.5
147.11661	42.8
148.11969	1.1
149.13177	4.1
151.11143	1.7
161.13235	21.2
163.14786	10.4
165.12682	2.7
175.13380	1.6
175.14804	21.3
177.16304	1.5
203.17923	100.0
204.18250	2.3
211.57152	0.8
214.53712	0.8
221.04356	1.6
221.08014	1.0
221.18965	41.4
222.19286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1895
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.66930	1.0
55.01854	1.9
55.05500	8.0
56.30932	1.1
57.03431	1.4
57.07067	6.5
59.04985	4.0
67.05492	16.6
69.07060	10.8
70.33249	4.2
71.04966	3.3
72.62049	1.3
79.05475	11.7
81.07042	42.4
83.04953	2.8
83.08619	8.8
85.06526	2.4
91.05459	15.9
93.07025	20.8
95.04951	5.4
95.08586	56.4
97.06520	12.4
97.10145	1.5
100.73666	1.4
103.05488	1.5
105.07014	41.2
107.04941	1.5
107.08564	32.3
109.06491	4.5
109.10137	38.5
111.08051	4.4
116.98564	2.8
117.06989	2.4
119.08561	36.9
121.06453	1.5
121.10122	26.0
123.08064	3.2
123.11680	13.7
130.06506	3.2
131.08562	1.6
131.37225	1.1
133.10103	69.1
134.99632	1.9
135.11670	6.3
137.05959	3.7
137.09605	3.1
137.13246	1.9
139.11150	2.4
147.07980	1.4
147.11655	47.3
148.12151	1.8
149.13197	2.2
151.11163	2.0
158.01210	1.9
158.05894	1.8
159.11613	1.9
161.09593	4.8
161.13235	18.8
163.11134	1.3
163.14803	8.4
165.05463	2.9
165.09052	1.3
165.12759	3.7
175.08665	2.4
175.11218	1.9
175.14786	37.0
177.16350	2.1
179.10648	2.4
191.08572	1.4
203.10579	1.5
203.17917	100.0
204.18312	2.9
206.10887	2.7
206.16154	2.9
216.64798	1.2
221.04405	10.3
221.07898	4.5
221.11319	9.0
221.13219	3.7
221.15297	17.5
221.18974	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03930	2.3
55.05495	11.4
55.22534	1.4
56.96534	1.5
57.03439	2.2
57.07055	9.7
59.04976	6.7
67.05497	21.8
69.03446	1.4
69.07062	19.3
69.54358	15.3
71.08611	4.5
79.05475	14.2
81.07040	52.6
83.04967	2.4
83.08604	6.4
85.06522	3.2
85.10154	2.0
91.05465	18.0
93.07026	29.3
95.04951	11.6
95.08588	68.6
97.06520	16.5
97.10164	3.3
105.07013	51.4
107.08570	40.6
109.06526	4.8
109.10133	43.9
111.08060	5.8
116.98619	3.7
119.08563	36.7
121.06464	1.9
121.10124	34.3
123.04420	1.8
123.08066	2.8
123.11697	14.5
125.09606	1.4
130.06531	1.8
131.08470	1.8
133.10104	66.3
134.10400	2.8
134.99617	2.9
135.11647	7.3
137.05977	9.3
137.09622	2.0
137.13304	1.8
138.83397	1.4
146.05902	1.5
147.08023	1.9
147.11661	58.6
149.13246	2.6
151.11127	2.7
157.58572	1.5
158.01291	2.0
158.06021	1.8
161.13226	22.2
163.14801	9.0
165.05472	3.0
165.09079	2.7
165.12718	5.5
175.08791	3.0
175.11119	1.9
175.14781	30.3
175.16167	2.9
177.05620	1.6
177.16396	2.1
179.08432	1.5
182.08554	1.5
193.15742	2.1
194.24191	1.6
203.10675	1.9
203.17915	100.0
204.18240	3.7
206.10892	3.4
206.16144	3.3
221.04442	10.9
221.07857	4.0
221.13142	7.2
221.15303	42.1
221.18919	32.8
222.15735	2.8
222.18581	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	221.0918
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.02418	0.6
56.61655	0.8
67.14511	0.7
70.35848	3.0
74.02438	0.7
82.02930	2.0
94.06556	3.7
103.05412	0.9
110.64993	0.7
115.05412	2.0
120.08102	1.2
123.61912	0.7
125.80969	0.6
130.06506	78.8
131.06844	1.0
132.04428	39.3
136.15652	0.7
147.09215	0.7
148.07564	2.7
157.07587	50.9
158.05988	71.9
159.09128	1.3
175.08640	100.0
176.07047	2.2
176.09009	1.2
185.07094	1.9
186.05478	2.5
203.08115	39.6
204.06496	4.3
221.09172	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	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.01862	0.6
55.05505	3.5
57.07064	3.1
59.04993	1.2
67.05505	3.9
69.03396	0.8
69.06685	0.4
69.07055	8.9
69.58485	5.4
71.04984	0.8
78.15314	0.5
79.05470	2.4
81.07043	9.9
83.04972	0.9
83.08601	2.8
85.02898	5.4
85.06503	0.9
91.05452	3.9
93.07024	5.1
95.04964	1.2
95.08588	9.2
95.31402	0.5
97.06537	0.8
98.97540	0.8
105.03418	0.6
105.07018	9.2
107.04922	0.9
107.08575	6.1
109.06493	6.0
109.10139	5.1
111.08030	1.9
116.98570	0.9
117.06995	1.3
119.04815	0.6
119.08561	11.1
121.06458	1.3
121.10113	6.5
123.08049	7.7
123.11675	3.4
125.05977	1.1
130.06514	1.6
131.08517	0.9
132.04485	0.6
133.06430	0.8
133.10104	17.3
134.99648	1.5
135.07997	1.2
135.11668	3.3
137.06003	0.9
137.09587	1.2
137.13272	1.3
143.08545	1.2
145.10091	3.8
146.10843	0.6
147.04370	1.9
147.08023	1.6
147.11650	3.8
149.09602	0.5
151.07520	16.4
157.10057	1.1
158.05977	2.0
159.11664	2.0
160.12468	0.6
161.09584	1.2
161.13235	32.9
163.11179	2.7
165.05466	2.0
165.09099	3.5
168.83385	0.5
173.05997	0.5
175.08650	1.5
175.11139	0.6
175.14787	3.3
177.12698	1.4
179.10689	0.7
179.14288	5.1
185.13231	1.9
192.07790	0.9
193.08600	1.3
193.15878	1.0
203.06926	0.8
203.10565	0.7
203.14307	2.5
203.17891	4.9
206.10838	0.6
206.16179	1.0
221.04449	4.6
221.07869	2.5
221.15331	100.0
221.18904	5.6
222.07664	0.7
222.15729	1.1
224.30795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.56659	0.4
71.04975	0.5
71.54060	1.1
73.02910	0.6
74.02422	0.6
77.03911	0.5
82.02931	1.2
85.02909	0.5
94.06564	3.4
97.02812	0.6
101.02374	0.5
104.04980	0.8
115.05452	0.7
120.08044	1.3
130.06508	64.5
131.06831	1.0
132.04428	38.1
134.05978	1.0
137.05913	0.5
147.09216	0.7
148.07509	3.8
157.07591	26.6
158.05989	79.2
159.06349	0.8
174.98460	0.8
175.08641	100.0
176.07027	1.6
176.08961	1.8
185.07068	0.7
186.05495	2.6
203.08122	4.8
204.06528	4.1
216.99599	0.6
221.09200	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	221.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	1.1
54.53150	1.1
55.05503	7.2
57.07060	12.7
57.61624	1.1
59.04974	1.3
60.17446	1.2
67.05481	3.8
69.03399	3.3
69.07034	4.7
71.54919	2.1
71.55265	1.8
72.08134	3.7
77.00884	1.8
79.05473	2.8
81.03378	1.3
81.07044	8.3
82.79615	1.4
83.04954	2.7
83.08599	4.7
85.02882	2.0
85.06507	1.2
91.05448	4.9
93.07022	3.6
95.04951	2.2
95.08571	7.0
97.02859	4.0
100.02451	6.8
101.00832	8.1
102.02171	1.4
105.06995	4.5
107.08566	8.0
109.06474	3.9
109.10139	10.2
111.08087	9.8
117.06922	1.3
118.03468	7.1
119.01897	100.0
119.08552	9.2
120.02033	1.8
121.01642	3.9
121.06497	7.1
121.10091	2.4
123.08026	2.6
123.11693	1.9
127.00864	2.6
127.50912	2.3
131.01883	1.6
131.08560	1.4
133.10101	7.4
135.08018	4.6
135.11646	3.4
137.02930	66.7
137.05951	4.3
137.09572	7.8
138.02998	1.8
139.00909	7.7
139.02599	3.5
139.50909	2.7
142.03500	5.9
143.01984	1.7
147.03232	1.6
147.08018	2.6
147.11679	2.2
148.01405	21.6
148.51448	4.2
150.51663	8.7
151.01686	4.1
151.07498	1.8
151.11133	2.2
153.09077	4.7
156.97459	7.2
157.03433	2.5
159.52199	14.0
160.02255	4.1
160.04503	1.7
161.02914	34.0
161.09613	4.5
161.13130	1.8
162.52379	1.5
163.02599	1.4
165.05501	1.6
165.09126	6.9
174.98518	14.4
175.01169	1.6
175.02664	8.6
175.04262	2.0
175.07439	2.9
175.11179	2.9
175.14767	7.3
177.00929	4.0
179.03981	70.9
179.10603	1.9
179.99142	2.6
184.04558	3.6
193.03804	1.5
193.15863	8.5
195.51434	17.3
196.01465	5.4
198.02612	1.6
198.04291	5.8
198.06050	3.1
198.98499	4.3
202.05521	4.5
203.03563	1.9
203.06929	1.7
203.10674	2.2
203.14250	2.9
203.17792	1.7
206.16174	3.7
206.66551	1.3
207.02223	2.6
216.01207	2.3
216.03349	1.7
216.07086	2.6
216.99541	6.9
217.01561	1.4
221.01755	10.8
221.04877	11.5
221.06895	7.2
221.07751	5.0
221.11586	7.1
221.15326	13.5
221.18274	5.6
238.98303	1.6
239.03867	1.8
239.09525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1177
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01865	0.9
55.05481	0.9
57.07066	6.0
59.04988	4.8
62.80616	0.6
66.00057	0.6
67.05498	4.6
69.07055	5.6
70.02943	5.9
70.83620	2.1
72.04508	13.1
73.02916	3.8
74.02422	1.5
75.36244	0.6
83.04953	0.8
84.08092	0.8
85.06527	10.7
86.09693	1.1
87.08095	1.6
90.05541	100.0
95.04953	7.4
96.08113	1.9
98.02402	15.1
100.03965	2.4
103.07568	7.9
112.07594	0.9
113.05997	2.4
116.03434	14.3
124.07577	16.5
131.06993	1.0
132.10223	0.6
142.08597	6.1
156.10251	1.2
158.11765	0.9
160.09651	1.7
166.08607	2.1
174.11252	2.1
175.56725	0.6
184.09660	21.1
184.11259	1.4
188.50816	0.7
192.02998	3.8
202.10709	30.3
205.15833	0.9
212.86221	0.7
220.02435	1.2
220.11757	41.9
220.17773	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	220.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05493	1.0
56.05008	0.8
57.07065	4.0
59.04968	1.7
60.14725	0.4
61.02904	0.6
63.02350	0.7
66.40563	0.4
67.05490	2.4
69.03391	0.8
69.07054	3.2
70.02921	2.2
70.06534	0.6
71.01329	1.0
71.81070	0.9
72.04498	5.2
72.08125	0.6
73.02907	1.3
74.02408	0.8
75.04446	1.1
81.03406	0.5
81.07040	1.1
82.47742	0.5
83.04946	0.9
83.28795	0.5
84.04475	1.9
84.08111	0.8
85.02864	1.1
85.06512	4.0
86.09668	1.2
87.04416	0.8
87.08049	0.6
90.03398	0.6
90.05536	43.9
91.05441	0.8
93.07022	0.7
94.06532	0.5
95.04950	3.4
96.08085	0.8
97.02842	1.2
98.02396	4.1
98.06022	1.1
100.03925	1.1
103.03915	1.4
103.07558	2.8
104.04230	1.5
104.04900	0.6
105.06992	0.5
106.06520	1.6
109.02842	0.7
116.03425	6.8
118.02897	3.2
118.06461	0.6
121.06469	1.2
122.10393	0.5
124.07565	6.9
130.06512	3.5
131.06956	1.0
131.08548	1.1
132.04419	2.2
137.09637	0.6
140.10699	0.6
142.08565	3.0
145.10075	1.0
146.02333	7.0
146.05939	3.2
149.09506	0.6
156.10173	0.7
157.07570	1.8
158.06000	3.0
158.11765	3.6
159.02870	0.9
159.07996	1.1
160.03163	2.8
160.09665	0.9
161.54956	0.5
163.03850	0.9
164.03395	0.8
164.06985	0.6
166.08607	1.0
168.07747	0.6
174.01826	2.8
174.05450	1.5
174.09056	1.3
174.11258	1.1
175.07355	0.7
175.08653	4.6
177.09050	0.9
177.12695	1.8
181.04875	0.7
183.47449	0.5
184.07973	0.8
184.09647	8.5
187.54146	0.7
192.02878	100.0
192.17438	0.5
193.03253	1.9
202.04897	1.3
202.08685	1.5
202.10693	13.0
202.12549	0.7
203.06969	0.5
204.14586	4.3
205.15845	13.7
220.02371	62.5
220.05981	3.6
220.09834	1.7
220.11728	19.4
220.13269	1.2
220.17786	21.1
221.02675	1.5
221.04506	1.0
221.09106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1739
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
50.60001	0.6
51.68494	0.7
53.03912	1.0
54.41705	0.6
54.48938	0.5
55.01845	1.1
55.05502	5.5
55.05752	0.9
55.24627	0.6
57.03416	1.5
57.07045	2.6
59.04973	1.8
65.03896	0.6
67.05492	8.2
69.03407	1.2
69.07060	25.3
69.10524	0.5
69.50129	6.4
71.04981	5.5
79.05483	4.6
80.54041	0.5
81.07044	15.1
83.04958	1.4
83.08603	4.3
85.06531	3.0
89.06020	0.6
91.05473	4.9
93.07030	11.8
95.04940	3.4
95.08593	21.9
97.06510	2.5
97.10148	1.9
98.21392	1.0
103.05433	0.8
103.36984	0.6
105.07012	16.9
107.07887	1.2
107.08578	17.9
109.06494	4.3
109.10144	23.1
111.08064	2.7
117.06990	2.9
119.07716	1.3
119.08562	19.1
121.06459	2.0
121.10125	17.3
121.10961	1.2
123.08028	2.9
123.11690	5.7
125.09595	2.0
129.06966	2.1
130.07742	2.1
131.08534	6.8
133.10107	9.7
135.08084	3.7
135.11671	12.3
137.09605	8.9
137.13219	3.2
141.06917	0.8
143.08521	0.7
145.10101	19.8
146.05963	1.2
147.11682	5.8
149.09592	6.5
149.13266	3.3
151.11160	1.9
157.07697	0.7
157.10101	0.9
159.08057	0.9
159.11678	10.7
161.09636	0.9
161.13239	11.7
163.11157	13.4
173.09561	0.9
173.13306	3.9
174.06723	1.6
175.14790	5.3
177.12798	3.0
177.16321	1.2
186.13991	0.9
189.09064	2.0
189.12695	0.9
191.17932	7.8
201.09180	1.1
201.16362	16.6
203.14259	6.7
205.15744	0.9
219.10135	3.7
219.17410	100.0
220.17906	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	219.1012
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05994	0.6
67.05503	1.0
69.07061	0.6
71.49732	0.5
71.50081	1.1
72.04741	0.5
79.05481	0.6
81.07076	1.0
91.05463	6.4
95.04939	0.7
95.08567	0.7
103.05470	2.0
105.07007	1.7
107.08591	1.0
110.52766	0.5
115.05437	5.3
116.06205	1.5
117.07017	2.0
119.08559	2.0
121.10132	1.0
122.52634	0.5
124.78698	0.5
127.37685	0.5
128.06198	5.7
129.06992	27.6
130.07771	2.4
131.04919	4.6
131.08543	26.4
133.10104	1.7
137.05963	2.0
141.05872	1.2
141.06972	24.4
143.04893	1.3
143.08543	1.8
144.05646	2.9
145.06462	5.6
145.10101	1.3
146.06177	0.6
146.07240	3.4
148.05196	1.3
151.07541	0.9
155.05956	0.6
157.06471	15.8
158.07254	14.2
158.08549	0.8
159.04378	2.3
159.08040	20.3
159.11615	0.7
160.05226	4.5
161.06081	0.7
161.09569	2.8
161.13184	1.5
163.07520	1.7
168.05652	0.8
169.06447	10.3
170.07245	5.4
171.04317	0.6
171.08009	0.5
173.06006	3.8
173.09618	1.3
173.13263	0.6
174.06740	56.4
175.07506	8.5
176.08331	0.7
185.05930	0.7
186.06747	12.0
187.07448	1.1
188.08287	2.7
189.09084	71.9
190.09441	1.1
191.06935	1.0
191.10645	5.5
201.09082	28.9
203.14284	4.0
219.10130	100.0
219.17398	15.6
220.10446	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.29772	0.5
57.03404	1.6
57.07045	0.5
61.12638	0.5
67.05499	1.3
69.07037	1.3
69.55344	4.2
69.55754	1.1
69.69424	0.5
79.05479	0.7
81.07031	1.5
83.04964	0.8
91.05467	6.6
93.07030	1.6
95.04942	0.6
95.08572	1.2
98.21414	1.1
103.03931	0.6
103.05440	2.0
105.06983	2.8
107.04942	0.8
107.08552	1.2
107.10519	0.5
115.05427	6.9
116.06233	2.9
117.06972	2.2
119.08554	2.3
121.06516	0.7
121.10109	2.2
128.06181	6.6
129.06985	29.3
130.04126	0.7
130.07748	2.1
131.04919	5.3
131.08543	30.2
133.06465	0.9
133.10066	1.7
135.08006	0.6
137.05914	2.7
141.06969	27.1
142.07365	0.7
143.04895	1.4
143.08549	1.8
144.05696	4.1
145.06462	5.8
145.10080	1.8
146.06000	1.0
146.07211	4.1
147.04346	0.8
147.11617	0.8
148.05185	1.0
151.07521	0.8
157.06461	15.7
158.07245	16.2
159.02946	0.7
159.04410	2.4
159.08032	20.1
159.11670	1.3
160.05180	3.8
161.05841	0.8
161.09575	3.8
161.13206	2.5
162.06622	0.8
163.07520	2.2
163.11185	1.2
168.05670	1.7
169.06461	11.3
170.07268	5.5
171.04422	0.7
171.07932	1.4
173.05960	3.9
173.09605	1.0
173.13286	0.8
174.06735	56.8
175.07500	8.1
175.14757	1.0
176.08209	1.0
183.44182	0.6
186.06718	14.5
187.07419	1.6
188.08289	2.8
189.09071	74.5
190.09412	1.3
191.06982	1.6
191.10622	6.1
201.09079	31.0
201.16385	1.6
203.14278	6.6
219.10126	100.0
219.17401	24.3
220.10439	1.8
220.17810	0.8
237.76079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58533	10.0
69.94492	63.2
70.06572	19.4
89.68279	10.1
98.20755	22.7
103.33474	11.7
108.88783	10.6
143.94586	9.0
189.13448	17.1
219.02650	100.0
239.28114	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	219.0799
Annotation	2-Hydroxypyrene
Peak:m/z	Relative Intensity
55.05482	0.4
69.07032	0.2
70.39552	0.9
79.05450	0.2
81.07043	0.3
83.08596	0.3
87.37965	0.2
91.05448	0.4
93.07011	0.3
95.08572	0.3
100.11234	0.3
105.07013	0.5
111.04404	0.2
119.08523	0.2
121.10093	0.3
129.06958	0.5
131.08546	0.7
133.10153	0.5
137.05817	0.2
141.06931	0.6
146.06050	0.2
147.11668	0.2
152.06105	0.2
155.11139	0.2
158.07210	0.3
159.02933	0.2
159.08018	0.4
160.05247	0.2
161.09659	0.3
161.13184	0.3
165.06956	3.7
167.03346	0.2
169.06418	0.2
173.05991	0.2
173.09518	0.3
173.34108	0.2
174.06734	0.7
175.07465	0.2
176.06187	0.2
188.05634	0.2
189.06969	13.3
189.08987	1.1
190.07738	32.0
191.08519	100.0
192.08861	3.3
201.07178	0.2
201.09091	0.6
201.16351	0.2
203.14270	1.8
208.56540	0.2
218.07243	0.5
219.08018	55.1
219.17390	6.9
220.08493	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	217.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.8
55.01828	1.6
55.05452	32.8
55.97786	0.7
59.04936	2.6
67.05450	2.8
69.03383	2.1
69.07031	0.8
70.06583	6.5
71.24632	1.6
72.08139	5.4
73.02870	1.6
73.86042	0.7
83.04964	51.6
83.08579	2.0
84.04431	1.3
85.06516	4.2
86.06052	5.7
87.04440	3.9
89.02382	4.5
89.06017	16.2
95.10335	0.7
96.04437	2.8
99.04423	3.9
101.06000	23.3
108.09890	0.7
110.09608	0.9
111.04421	86.9
111.08057	0.8
112.07484	0.9
113.05980	7.4
116.07069	1.1
124.56814	0.8
126.09157	1.9
127.07546	9.8
128.95071	1.0
129.05455	25.2
129.06898	1.1
130.04968	1.0
137.05969	1.8
137.10675	3.1
138.09113	5.9
139.01468	1.5
146.96100	1.3
147.06453	2.2
154.08595	3.4
155.06999	100.0
155.11765	2.1
158.08067	1.5
158.67201	0.7
172.29202	0.8
173.08066	86.2
197.80048	0.8
199.09525	8.6
200.09108	1.2
217.06868	26.6
217.10674	75.1
217.12595	4.6
218.11020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1639
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
51.10815	1.2
55.01865	6.4
55.05498	14.2
57.03146	2.7
57.03426	47.4
57.07059	2.6
60.13539	1.2
65.81906	1.4
66.01306	1.3
67.05495	45.3
69.03362	1.2
69.07057	19.7
71.01337	1.2
71.04981	4.9
71.05449	4.1
73.02907	1.8
73.06526	1.3
74.09697	3.1
75.04455	1.8
79.05484	12.9
81.07042	100.0
83.04969	5.1
83.08595	7.3
85.06511	4.7
90.32257	1.1
91.05449	8.6
93.07027	8.3
95.08591	96.9
95.47039	1.1
97.00830	1.2
97.06513	5.6
97.10161	2.5
98.98443	4.1
99.08094	2.9
101.05960	1.4
105.07021	9.2
107.08585	16.6
109.06477	4.7
109.10136	11.7
111.08085	2.6
119.08588	8.4
121.10130	5.6
123.08041	2.5
123.11696	10.7
125.09608	17.0
132.95790	2.7
133.02829	5.3
133.10118	7.0
135.11671	3.9
137.13232	61.2
139.01620	8.0
145.06465	1.7
150.73056	1.3
150.96858	3.3
155.14284	54.3
156.71764	1.3
159.04472	2.5
159.08087	2.1
161.02304	13.4
161.13229	17.5
162.03421	1.8
173.02307	34.0
174.02577	2.2
179.14304	15.8
185.15297	4.0
186.03122	2.8
197.15363	23.1
215.06995	19.6
215.10715	4.4
215.14388	2.4
215.16197	1.4
216.12331	3.0
225.66162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52423	0.8
55.05495	12.2
57.03413	1.6
57.07055	2.9
60.38231	0.7
67.05492	32.4
69.07059	19.1
69.68657	1.8
69.69073	5.2
71.04967	3.8
71.08628	2.2
71.33528	0.9
74.09695	2.4
79.05482	4.7
81.07041	94.5
83.04949	1.4
83.08607	7.0
85.06503	3.4
85.10115	0.9
89.03900	0.9
91.05456	4.2
93.07027	3.3
95.04947	1.0
95.08590	100.0
96.08920	1.0
97.06525	1.1
97.10114	2.1
98.98444	2.9
99.08081	1.6
100.61295	1.0
104.88235	0.8
105.06995	5.2
107.08548	1.8
109.06481	1.3
109.10123	2.9
117.06987	0.9
119.08567	6.7
121.10132	1.8
123.08043	2.5
129.06967	1.5
131.08559	1.2
132.95793	1.4
133.02815	2.9
133.10118	3.3
135.11642	2.7
137.09546	1.2
137.13232	70.3
138.13521	1.1
139.01595	5.7
144.02313	1.3
150.96858	2.3
155.14282	65.3
159.04369	3.0
159.08058	1.1
159.11548	1.1
161.02309	10.4
161.13216	7.4
169.09959	1.0
173.02318	34.0
179.14246	2.8
186.03058	2.0
187.11189	0.9
197.15320	3.2
215.06999	16.8
215.10614	3.3
215.14192	2.4
216.07025	1.0
216.12366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.6
53.16029	3.0
55.05487	3.4
57.03431	3.9
57.07056	6.3
61.98140	3.2
67.05487	10.6
69.03397	6.7
70.06584	6.6
71.81107	4.8
72.08134	3.7
72.93783	18.6
79.05434	3.7
81.03434	4.7
81.07028	7.6
82.06564	4.3
83.04958	5.1
84.04501	4.7
84.08080	3.6
85.02857	5.1
85.06525	5.6
86.09673	5.4
88.07623	4.0
90.94816	22.3
91.05457	7.3
92.80330	3.7
93.06995	3.5
94.06564	4.0
94.66192	3.4
95.04962	23.9
95.08602	5.6
96.08109	3.7
97.02854	5.2
98.06048	5.6
98.97560	4.5
98.98464	17.9
100.07596	3.9
105.07006	4.6
108.95831	9.2
109.02834	3.8
109.06472	4.1
109.10140	3.9
111.04459	4.3
113.96376	4.4
116.06989	3.2
124.07548	4.2
126.03134	5.9
126.05491	4.5
127.03886	4.2
131.97391	4.2
132.95793	25.2
135.07973	4.0
139.01518	23.2
141.00041	22.1
141.05443	36.5
149.96092	18.0
149.98299	3.4
150.05479	7.0
150.96877	84.3
150.98004	3.2
151.07501	5.1
156.09242	3.3
158.02724	11.2
158.11252	3.1
167.97131	24.1
168.06511	4.4
168.10201	6.7
168.97900	6.7
169.04955	100.0
169.07523	33.6
172.97726	8.4
173.98480	8.3
178.05002	6.0
190.98737	5.7
191.97128	26.6
196.06757	6.7
196.09698	9.2
196.16812	4.2
209.98210	23.6
214.05074	8.8
214.06978	5.3
214.10693	13.3
214.14270	6.9
214.21608	11.2
215.03360	4.1
215.08324	16.9
215.10861	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	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03940	3.7
55.01852	4.5
55.05502	40.5
57.03410	3.1
57.07066	11.3
59.04986	6.6
67.05490	21.1
69.03410	2.1
69.07057	99.7
69.67470	2.2
69.67878	15.9
70.06571	5.8
71.04971	13.9
71.08620	2.2
72.93762	2.0
79.05482	13.8
81.07042	53.2
83.04987	9.4
83.08607	24.2
85.02906	2.6
85.06526	35.4
88.07643	9.1
90.94820	2.0
91.05463	5.8
93.07027	30.2
95.04954	5.9
95.07985	4.2
95.08591	81.1
96.08910	2.4
97.06502	10.2
97.10167	23.8
99.08073	27.0
105.07029	5.3
107.04941	6.6
107.08575	50.1
109.06529	2.0
109.10141	32.0
111.08076	8.6
111.11692	14.1
113.05930	1.9
113.09641	14.4
121.09241	4.0
121.10119	64.8
123.04380	2.2
123.11681	12.6
125.05958	2.1
125.09607	12.0
127.11097	2.0
129.07007	3.7
135.08015	2.4
135.11673	36.9
137.13234	40.7
138.13577	2.1
139.11137	15.6
140.04677	3.8
140.07031	2.8
142.07742	2.1
149.09586	2.8
149.13242	10.4
151.03899	3.8
151.14804	6.2
152.06213	3.3
153.12704	11.4
155.06992	2.5
157.06491	5.4
157.10098	4.8
163.03822	3.0
163.07639	3.1
167.07025	5.7
167.08676	7.0
170.07225	1.9
177.16354	100.0
184.05173	8.2
185.05855	4.0
185.09875	16.1
195.06506	27.2
195.08098	6.7
195.10107	4.4
195.13786	2.9
195.17445	17.8
197.28070	1.9
213.05373	19.2
213.09193	27.2
213.11211	2.5
213.16216	8.2
213.18491	12.9
214.10806	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1845
Annotation	tridecane-3,4-dione
Peak:m/z	Relative Intensity
53.03934	0.7
55.01846	1.8
55.05503	14.1
57.03422	4.9
57.07062	10.1
59.81758	0.5
67.05493	7.3
69.03406	1.7
69.07053	13.0
69.15819	0.4
70.38284	0.5
70.96740	1.7
70.97108	0.4
71.01333	4.1
71.04968	1.9
71.08618	3.9
73.02902	24.2
79.05482	7.4
81.07041	6.3
83.04963	15.0
83.08603	7.7
85.10163	1.8
87.04427	1.1
88.07616	1.7
90.90363	1.3
91.05441	1.3
93.07024	7.5
95.04894	0.5
95.08590	6.8
97.06517	2.3
97.10142	2.6
101.06004	2.2
107.08572	3.2
108.08074	0.4
109.10111	2.1
111.08060	1.1
115.07552	4.0
121.10136	2.9
129.09081	1.8
131.92970	0.9
135.11635	0.9
149.94031	2.1
150.52209	0.4
174.63078	0.5
177.16351	0.5
182.23320	0.5
185.10025	1.5
195.06389	1.1
195.17252	0.5
209.12970	0.5
213.09444	1.6
213.18456	100.0
214.18820	1.2
214.21652	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1845
Annotation	tridecane-3,4-dione
Peak:m/z	Relative Intensity
55.01851	0.9
55.05502	6.4
57.03412	2.5
57.07064	6.7
59.04992	0.8
67.05491	13.4
69.07061	6.7
71.03347	1.8
71.04601	0.8
71.04976	12.8
71.08615	5.6
79.05473	5.6
81.07037	3.4
83.04964	2.1
83.08603	1.7
85.02882	2.0
85.06504	1.3
85.10172	1.9
87.04456	15.4
91.05445	0.6
92.77041	0.6
93.07033	4.7
95.04945	0.9
95.08627	3.3
97.06513	24.9
97.10152	1.6
101.06000	1.0
105.16125	0.6
106.20770	0.6
107.08546	2.4
111.08032	1.1
112.50626	0.6
115.07549	1.0
119.89171	0.6
121.10103	1.9
129.09074	1.1
160.92131	0.7
213.18459	100.0
214.18817	2.0
214.21724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39705	0.4
53.03923	0.7
55.01864	0.7
55.05504	7.0
57.03434	2.1
57.07066	8.3
59.04982	0.7
59.85240	0.4
61.02921	0.7
65.03921	0.5
67.05493	13.5
69.03419	0.8
69.07059	7.8
69.07420	0.9
69.51707	1.3
69.52129	3.6
71.04603	0.7
71.04984	11.7
71.08630	5.1
73.02916	0.7
74.15574	0.4
75.92545	0.4
79.05482	6.1
81.07040	4.5
82.04202	0.6
83.04967	2.7
83.08613	3.0
85.02892	2.1
85.06527	1.6
85.10152	1.7
87.04456	14.4
88.07617	2.8
91.05442	1.0
93.07032	4.6
95.04929	0.7
95.08585	3.9
97.06516	24.4
97.10154	1.4
98.21429	1.0
101.05983	1.0
105.07008	0.4
107.04917	0.6
107.08557	2.6
107.95941	0.4
109.10152	0.7
111.08060	1.3
111.11702	0.6
114.31251	0.5
115.07535	1.4
119.08569	0.5
121.10149	2.2
125.09606	0.5
129.09067	1.5
130.12270	3.0
132.59987	0.5
135.11682	0.5
143.72987	0.4
149.94038	0.9
157.10133	0.9
167.07083	0.4
171.11696	0.6
185.09987	2.4
189.78403	0.4
195.06497	4.1
213.05258	0.4
213.09413	2.0
213.18465	100.0
214.10753	0.5
214.18846	1.4
214.21625	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1481
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03930	1.1
55.05498	19.0
57.03417	1.7
57.07067	10.6
63.74794	0.7
67.05484	4.2
69.03407	1.4
69.07050	5.1
70.93858	1.0
70.94190	2.1
79.05484	4.8
81.07042	7.7
83.04964	10.5
83.08619	1.0
84.46655	0.8
85.06538	4.8
88.07603	4.1
91.05447	3.6
93.07022	13.6
95.04955	2.2
95.08595	12.8
97.06516	6.9
101.20894	0.8
105.07009	6.6
107.04933	2.0
107.08573	21.9
109.06506	5.3
109.10140	3.4
111.04421	100.0
111.08085	4.2
113.05964	1.4
115.00710	0.8
115.05449	1.0
117.07009	2.5
119.08555	3.2
121.06477	3.6
121.10131	4.0
122.07298	1.0
123.08018	2.0
125.05964	25.6
127.07552	2.9
128.06198	0.9
129.07034	1.1
130.07736	1.7
131.08507	1.2
133.10101	1.1
135.08018	14.0
135.11665	23.1
137.06039	0.9
137.13283	2.2
139.07509	5.0
140.04631	1.1
142.07771	1.3
143.08514	3.2
145.10100	18.3
153.12695	4.9
157.10072	3.1
163.11151	23.0
167.08873	2.3
171.11652	3.8
181.12202	64.5
184.09676	0.9
185.09979	4.5
195.06509	6.6
195.12164	1.2
195.13791	5.6
213.09351	3.8
213.12671	2.7
213.14767	2.1
213.16481	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	213.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01863	1.5
55.05493	2.8
57.07066	0.9
59.04979	1.3
65.03927	2.4
67.05500	3.2
69.03411	1.9
69.07066	2.9
70.06573	0.5
70.75380	1.0
70.75781	1.2
71.04981	1.6
72.08145	0.6
74.15624	0.5
75.53981	0.6
79.05480	30.5
81.03400	1.9
81.07040	4.0
83.01329	0.8
83.04956	1.5
83.08594	1.4
85.06521	1.6
88.07626	3.0
90.97986	0.5
91.05465	22.5
93.03396	1.0
93.07013	5.7
95.04946	3.1
95.08560	1.5
97.06525	2.6
99.04447	3.1
99.04974	0.5
100.11252	0.7
105.07016	12.5
107.04929	7.1
107.08575	99.4
109.06494	8.3
109.10126	1.9
111.04391	0.9
111.08089	3.1
113.05981	0.8
115.03888	1.3
115.05428	8.7
117.06994	12.7
119.06030	2.2
121.06482	1.0
121.10126	1.4
123.08059	0.8
124.05177	0.6
125.05979	1.4
129.06981	0.8
130.16983	0.6
133.06465	0.9
135.08031	100.0
136.08450	0.6
139.07535	1.5
139.11165	2.0
140.04668	0.8
141.07388	0.9
141.11475	1.3
142.07658	0.7
145.06404	0.8
149.09618	0.7
151.03822	1.1
153.09082	1.7
153.12714	1.0
155.06964	1.1
155.11226	0.6
156.27147	0.5
157.10059	0.6
163.07518	54.2
164.07774	0.7
167.07022	1.6
167.08688	1.1
167.10651	0.8
170.15390	1.3
171.11581	0.7
172.01132	0.6
177.09035	0.6
177.12767	0.7
177.16307	0.6
181.08565	10.1
182.15381	0.8
185.09944	4.3
195.06506	7.5
195.08131	1.1
195.10152	0.8
198.14911	0.6
199.09641	1.1
199.18031	0.7
208.69110	0.6
213.05435	2.3
213.09387	5.8
213.12738	1.0
213.16371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1118
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03926	2.2
55.01860	3.1
55.05505	4.8
56.22598	0.8
57.03420	1.5
57.51438	0.8
59.47962	0.7
59.55094	0.7
61.02916	0.9
62.41487	0.8
65.03936	1.6
65.17594	0.9
67.05499	4.7
68.99745	0.9
69.03414	3.3
69.07060	2.8
70.06582	8.6
71.04987	2.1
71.77749	0.9
72.08154	0.9
73.02914	1.1
76.86705	0.9
79.05482	14.9
81.03397	1.3
81.07046	7.2
83.04965	4.3
83.08606	1.7
85.02901	2.4
88.07612	6.0
90.09751	0.8
91.05470	27.9
93.07030	25.8
95.04958	4.7
95.08609	4.5
97.02891	1.8
97.06507	3.5
99.08073	1.0
103.05452	2.1
105.07015	41.7
107.04935	10.2
107.08578	73.3
109.02894	2.2
109.06506	5.0
109.10159	2.6
111.04414	2.1
111.08049	1.0
113.05988	1.3
115.05423	1.7
115.96331	0.9
116.06229	2.9
117.07007	3.4
119.04932	2.1
119.08563	100.0
120.08894	1.8
121.06490	5.9
121.10130	30.6
123.04435	3.6
123.08034	6.4
123.11709	1.4
125.02354	1.9
125.05968	4.4
125.09608	3.4
127.03839	1.2
129.06946	4.1
131.08543	40.7
133.06543	4.9
133.07472	1.4
133.10083	5.0
135.04414	5.4
135.08040	9.2
137.05962	2.8
137.09598	0.9
139.03891	2.6
139.06487	1.0
139.07500	1.7
139.11127	1.3
140.04672	6.9
140.07036	1.8
140.10670	0.8
141.05450	1.9
141.07355	3.0
147.08026	48.0
148.97325	2.7
149.05974	1.8
149.09598	43.4
149.13255	0.8
151.03857	3.8
151.07469	1.8
151.11188	3.4
152.04655	1.7
153.05444	7.6
153.09122	2.5
155.06995	4.5
159.08037	14.3
163.03862	15.4
165.09093	41.4
167.03381	4.1
167.07065	7.9
167.08952	6.0
167.10663	12.7
177.05450	2.5
177.09090	37.4
177.16374	1.1
181.04938	2.0
184.09697	2.0
185.09991	17.0
189.97607	1.1
195.06509	26.9
195.10143	44.2
213.05536	2.5
213.07516	1.4
213.09378	13.1
213.11229	41.8
213.16302	1.5
213.18483	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
55.05492	0.9
56.05035	0.4
57.07050	0.6
61.02912	0.4
61.68582	0.3
63.86698	0.3
65.03910	0.5
67.05489	0.9
69.03392	0.9
69.07037	0.7
70.05124	1.9
70.06579	3.2
71.04989	0.4
72.08134	1.2
72.93786	0.5
75.04454	1.1
78.03428	0.8
79.05481	1.8
81.07016	1.1
82.02916	3.7
83.04942	0.7
83.08594	0.4
84.08107	1.1
85.02851	0.8
85.33512	0.3
86.09687	0.7
88.07616	1.9
89.24217	0.3
89.99773	0.3
90.94786	0.5
91.05441	0.9
93.03410	0.5
93.07027	0.9
95.04941	1.2
95.08571	0.7
97.02864	0.5
97.06512	0.5
99.04442	0.9
102.88648	0.3
107.04921	1.5
107.08549	1.0
109.02888	0.6
110.03609	0.4
110.07166	0.5
111.04414	1.0
112.07587	1.2
113.07897	0.4
116.07073	0.5
119.01878	0.7
119.04958	0.4
119.08511	0.4
120.04430	0.5
121.06498	0.8
121.10070	0.8
122.02346	0.6
122.06049	0.3
122.06999	0.5
123.04409	0.8
125.05972	2.0
125.07076	3.7
127.03912	0.4
127.82078	0.3
130.96321	0.4
135.04343	0.9
135.07983	0.7
136.03894	7.7
139.07481	0.5
140.03412	4.1
140.04497	0.6
140.06958	0.4
141.05411	0.4
141.07362	0.8
142.03528	0.3
142.04961	1.3
148.97360	2.0
149.05920	0.6
151.03888	2.6
152.07031	0.7
153.05450	0.8
153.06529	0.5
154.04915	0.5
154.06119	0.4
155.07043	0.8
156.07742	0.3
158.06496	0.5
159.06706	1.1
163.03854	0.9
165.05467	0.9
167.05353	1.3
167.07011	2.0
167.09045	1.7
167.97246	0.6
168.06541	0.5
177.05415	0.7
177.07782	1.5
181.06091	0.5
182.04456	40.3
183.04745	0.5
184.09601	0.5
185.09990	3.8
189.07797	1.1
189.97644	0.8
195.06207	4.0
195.07820	1.6
196.06004	0.8
207.98669	0.5
213.05347	0.7
213.08681	23.1
213.15997	0.7
214.07056	100.0
215.07384	1.4
231.08823	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0752
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03928	1.4
55.01880	1.8
55.05491	3.0
56.96560	1.2
57.03433	1.3
57.07058	2.0
61.02915	9.0
65.03933	6.2
67.05484	4.3
68.99749	0.8
69.03409	1.7
69.07043	2.5
70.06580	5.9
70.94203	0.8
71.04974	1.3
71.51997	0.7
72.08140	1.5
72.93768	1.6
75.25674	0.7
79.05487	16.6
80.65602	0.8
81.07053	2.3
83.04964	1.1
83.08611	1.5
84.08115	0.9
85.02880	1.0
85.06514	0.8
86.09688	2.2
88.07617	4.5
89.03883	0.9
90.17314	0.7
90.82782	0.7
90.94776	1.0
91.05467	5.4
93.03381	3.7
93.07021	2.9
94.04174	1.1
95.04951	7.6
95.08584	2.2
95.10801	0.7
97.02883	1.5
97.06518	1.4
97.10155	0.8
99.04443	1.2
105.03381	1.6
105.04517	1.1
105.07005	1.2
107.04939	28.5
107.08578	3.4
108.02082	2.5
109.02866	0.7
109.06497	2.3
109.10136	1.1
110.03644	22.2
110.07132	0.7
111.04436	17.1
111.93690	0.7
116.07079	0.9
117.03385	1.5
119.04968	1.5
119.08569	1.2
121.06494	9.3
121.10123	2.3
122.03651	4.1
123.04402	1.2
124.05202	0.9
125.05972	68.3
126.06345	1.2
130.96284	1.7
133.02827	12.2
134.05872	0.7
135.04393	26.2
135.08014	1.3
135.11681	1.8
136.01596	0.7
137.05984	6.1
139.03842	1.2
139.07524	1.6
140.04665	3.2
141.00020	1.1
141.05453	5.4
143.06987	0.9
148.97307	5.9
149.05956	20.8
149.09613	1.5
149.96117	1.5
150.03101	10.3
151.03891	100.0
151.04988	8.0
152.04425	1.3
152.07086	1.1
153.05455	16.4
153.09055	0.8
154.06190	1.0
155.06984	1.1
161.00401	0.7
162.03079	1.8
163.03893	10.1
163.07466	1.0
165.05458	37.6
165.59241	0.8
165.97688	1.0
167.05820	0.8
167.07027	22.0
167.08598	1.1
167.09047	1.7
167.10681	0.7
167.97180	1.1
172.97649	1.0
173.74770	0.8
177.05453	20.5
177.09085	1.3
185.09935	4.6
189.97684	1.7
195.02792	1.1
195.06496	32.5
195.10156	1.6
198.05180	1.1
207.98659	1.2
213.05438	2.8
213.07550	11.7
213.09438	5.2
213.11220	1.0
213.12782	1.1
213.16246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0915
Annotation	CJ 14877
Peak:m/z	Relative Intensity
55.01859	1.6
55.05478	0.7
57.03424	1.4
59.04991	0.6
61.02929	1.2
61.75333	0.4
67.05514	0.9
68.05047	0.9
69.03442	1.2
70.06588	3.6
70.94255	0.5
71.04971	0.6
71.08664	0.5
71.57999	1.2
72.08142	1.0
73.02893	2.9
73.86407	0.5
75.84557	0.5
79.05489	0.6
80.04583	0.6
80.05016	2.0
81.03386	1.5
82.06568	0.8
84.04493	0.8
84.08138	1.6
85.02885	3.5
86.06037	1.1
87.04446	0.7
91.05466	1.2
94.04391	0.6
94.06543	1.4
95.04942	0.8
95.07324	1.3
96.04463	0.7
96.08125	1.2
97.02857	2.6
98.06040	2.4
98.97566	1.6
99.04456	1.2
101.00848	1.0
102.13960	0.5
103.02430	0.6
106.06520	0.7
107.04953	0.7
108.04467	3.1
109.02876	0.8
109.07585	0.8
111.04443	1.0
112.07585	3.3
114.09169	0.8
116.07062	1.7
116.98590	0.6
117.04049	0.6
119.01885	3.0
119.04939	0.8
120.08090	1.1
121.06465	0.8
122.06020	1.1
123.06799	0.6
124.07578	2.8
125.05955	1.0
127.03918	1.1
131.01869	2.0
132.08054	0.6
133.03424	1.1
134.05994	10.4
134.06918	1.1
134.99612	0.8
136.07552	3.3
137.05928	1.3
137.08392	0.8
138.03545	0.5
138.05447	1.1
138.09120	1.5
140.03285	0.5
140.07050	13.8
140.08177	1.1
142.08597	3.4
143.01877	1.1
144.03436	0.6
145.03415	1.1
145.05031	0.7
146.99582	0.6
147.04370	0.7
148.07550	3.6
148.97379	0.6
149.02895	0.8
149.05954	1.9
150.05479	1.2
152.03415	2.1
152.07040	23.9
153.05438	2.4
156.10202	0.6
157.03465	0.7
160.07503	1.2
161.02956	3.2
166.04936	1.8
166.08606	44.3
168.06604	0.7
170.03107	0.7
171.05095	0.7
172.36002	0.6
173.02925	1.2
175.04291	0.7
176.07002	5.2
177.10098	0.6
179.07007	0.6
183.05055	1.2
184.09668	62.0
185.09937	0.6
189.00639	1.0
189.02328	0.8
189.54335	0.6
194.04413	1.6
194.08095	80.6
195.06418	1.8
195.08380	1.4
211.93954	0.7
212.09140	100.0
213.09363	1.6
221.05019	0.7
230.08675	1.1
232.48358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20152	1.0
53.03922	3.0
55.01851	3.0
55.05502	16.1
56.96542	3.9
57.03410	4.6
57.07068	5.3
59.04973	2.4
60.48956	1.0
65.03923	1.7
67.05127	1.6
67.05492	31.6
69.03420	8.8
69.07053	22.8
71.04980	11.1
71.08614	1.4
71.77641	1.8
79.05481	9.3
80.04967	1.8
81.03404	2.2
81.07042	37.9
83.04972	13.4
83.08607	11.2
85.02894	1.7
85.06542	6.2
91.05457	10.5
93.07027	18.8
95.04951	8.3
95.08591	52.4
97.06519	5.7
97.10147	4.7
98.50688	1.1
99.04379	1.4
99.08080	6.8
105.07012	15.3
107.04960	1.7
107.07896	2.0
107.08577	29.1
109.02863	1.9
109.06507	14.9
109.10139	100.0
110.10465	1.1
111.08062	14.8
113.05992	1.8
113.09605	3.4
115.07528	3.1
117.06985	1.5
119.04886	3.2
119.07713	2.2
119.08561	40.2
121.06422	1.2
121.10122	18.1
122.03634	2.5
123.04424	1.5
123.08054	27.1
123.11671	25.6
124.07583	1.3
125.09608	6.0
127.07490	1.4
127.11173	1.6
131.08554	2.1
133.06467	1.9
133.10101	35.2
135.08002	1.2
135.10614	2.1
135.11670	59.0
137.05959	68.8
137.09590	47.5
137.13124	1.7
138.06252	1.3
138.10350	3.1
139.11169	2.4
140.07034	6.3
147.04395	6.4
147.11646	6.1
149.13235	11.8
151.07573	5.8
151.11130	10.9
151.14792	11.7
153.05339	2.0
153.09027	1.1
153.12730	3.3
155.08485	1.5
155.10634	1.5
161.05896	1.2
163.11055	1.1
165.07039	1.0
165.09042	2.7
165.12706	3.7
165.16325	3.3
166.08580	9.6
167.07027	2.1
175.07664	1.2
175.14793	45.3
176.15186	1.5
178.66539	1.1
179.07001	4.8
183.06464	2.9
183.07979	1.9
184.09669	25.6
193.08537	3.3
193.10188	1.1
193.12160	2.6
193.15868	34.3
211.05849	2.6
211.07680	2.6
211.09584	10.4
211.11404	2.4
211.13162	1.3
211.14957	2.4
211.16910	24.7
212.09152	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	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03952	1.0
55.01843	1.3
55.05501	11.2
56.96548	2.0
57.03417	2.9
57.07049	4.1
59.04994	12.8
67.05493	13.6
69.03399	4.5
69.07056	24.9
69.87195	7.9
71.04981	45.9
79.05473	7.1
81.06588	2.0
81.07045	26.3
83.04953	3.3
83.08602	12.6
85.06528	14.2
90.94094	1.0
91.05454	5.9
93.07030	29.3
95.04918	1.7
95.08588	36.5
97.06517	17.1
97.10143	2.5
99.04429	6.7
99.08080	10.0
105.07010	10.1
106.58768	0.9
107.08579	29.8
109.06484	7.1
109.10143	19.7
111.08048	3.5
113.09628	2.0
115.07554	11.8
119.08575	20.9
121.10125	22.3
123.04404	3.5
123.08063	6.6
123.11690	68.0
125.09612	6.5
127.07535	7.7
133.10109	23.4
135.11670	64.1
137.05971	21.9
137.09573	8.7
137.13245	3.1
141.09062	2.9
141.12723	6.3
144.48642	1.0
147.04355	2.0
147.11681	4.1
149.13237	11.8
151.07544	1.6
151.11133	1.4
151.14807	1.4
153.12720	15.7
155.03450	1.1
155.10649	10.0
165.09105	1.7
165.16429	1.2
165.51366	1.0
166.08534	1.2
167.14250	2.3
167.77609	1.1
175.14799	42.7
184.09641	3.6
193.08549	7.3
193.15849	14.0
211.05887	1.2
211.07652	1.7
211.09567	8.7
211.16896	100.0
212.09131	3.9
212.17134	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05499	14.0
56.96574	1.3
57.03413	2.8
57.07069	4.3
57.27603	0.9
59.05000	2.1
60.94690	1.0
62.15891	1.0
67.05130	1.3
67.05495	26.6
67.46588	1.0
69.03415	12.7
69.07059	21.0
69.36578	1.0
70.23399	5.7
71.04983	7.9
79.05489	7.8
81.07042	28.2
83.04964	14.9
83.08607	10.2
85.06529	5.1
91.05450	5.4
93.07029	15.1
95.04933	3.7
95.08593	49.7
97.06518	3.0
97.10157	2.8
99.04414	5.8
99.08083	5.1
105.07020	8.4
107.08583	25.7
109.06506	11.3
109.10139	100.0
111.08067	4.1
113.09628	3.3
115.07573	2.6
119.08564	25.9
121.10126	11.1
123.04433	1.9
123.08058	15.0
123.11694	12.6
124.77611	1.2
125.09609	10.5
127.11197	1.5
133.10114	21.8
135.11673	65.7
137.05986	8.3
137.09595	19.7
139.11143	2.8
140.07036	2.6
147.11653	3.9
149.13263	7.1
151.07472	2.4
151.11169	13.0
151.14784	10.9
153.12706	3.4
161.69585	1.1
163.14778	2.8
165.12842	1.2
165.16406	2.1
166.08615	6.0
173.28030	1.2
175.14790	25.6
176.15147	1.1
179.07002	4.0
184.09657	15.5
193.08586	1.4
193.12260	1.8
193.15854	27.4
211.07614	1.6
211.09549	2.7
211.16911	16.2
212.09106	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	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03929	1.9
55.05502	12.2
57.03421	6.0
57.07051	4.3
59.04989	16.1
67.05498	14.1
69.03403	4.3
69.07054	26.0
70.34748	6.6
70.35164	2.4
71.04984	62.6
74.88960	2.2
79.05486	11.4
79.62040	2.0
81.07046	35.1
83.04962	3.4
83.08605	15.7
85.06532	4.4
91.05431	6.0
93.07030	34.1
95.04916	2.1
95.08590	58.8
97.06511	26.1
97.10159	3.9
99.04438	20.0
99.08050	8.8
102.87745	1.8
105.07024	13.9
107.08573	38.1
109.06524	3.1
109.10146	34.5
111.08023	4.1
113.09573	2.4
115.07554	31.3
119.08562	39.1
121.08350	2.1
121.10127	18.1
123.08050	7.9
123.11686	66.6
125.09615	4.4
127.07516	6.3
131.08563	2.0
133.10103	46.4
135.11671	100.0
137.05971	4.3
137.09619	13.1
137.13232	4.2
141.09065	6.3
141.12709	8.9
147.11652	4.9
149.13222	12.3
151.11194	1.8
153.12718	17.1
155.10616	6.8
166.08606	2.7
175.14799	70.6
175.16331	3.7
184.09708	3.9
190.10956	1.9
193.15880	31.4
211.16898	93.9
212.09206	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	211.1688
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03924	1.7
55.05498	15.3
55.68817	1.6
56.96532	3.1
57.03417	3.6
57.07055	6.7
59.04988	1.9
63.88718	1.4
65.03927	2.5
67.05492	25.5
69.03413	36.6
69.07053	21.7
69.79520	10.9
70.06553	4.9
70.06918	1.4
71.04971	9.2
71.08599	1.7
79.05470	9.2
81.03403	3.3
81.06586	3.1
81.07037	37.2
83.04955	16.0
83.08601	11.3
85.02888	2.0
85.06528	4.4
86.09684	1.4
91.05464	10.3
93.07031	17.1
94.06541	6.1
95.04923	8.2
95.08591	46.7
97.06514	3.5
97.10157	6.9
99.04406	3.4
99.08073	14.5
105.03345	2.8
105.07015	14.1
107.04956	1.8
107.08572	28.2
109.02842	1.8
109.06493	14.6
109.10132	100.0
110.10445	2.0
111.04447	1.9
111.08062	6.1
113.05881	1.8
113.09605	3.0
116.75053	1.6
119.06054	6.5
119.08553	33.9
121.06509	1.7
121.10125	18.7
123.04409	3.5
123.08042	26.6
123.11670	22.4
125.05996	1.4
125.09605	80.9
127.07502	4.4
127.11179	4.4
131.47910	1.7
133.10098	34.5
135.11659	63.4
136.51671	1.5
137.05940	18.4
137.09573	28.1
139.11133	3.0
140.07063	5.2
147.08047	1.7
147.11668	5.2
149.02309	2.7
149.13228	10.2
151.03886	1.7
151.07486	4.3
151.11136	9.9
151.14787	10.3
152.07146	1.7
157.10095	2.1
165.06897	3.6
165.09065	3.8
165.11093	1.7
165.12701	1.6
165.16382	3.5
166.08580	8.6
167.07050	3.3
175.11252	1.7
175.14790	43.2
179.03290	1.7
179.07021	5.1
183.06522	2.2
184.09665	20.4
193.08540	4.0
193.12216	4.5
193.15872	30.4
211.05795	2.7
211.07558	7.4
211.09612	6.1
211.11407	1.5
211.12968	2.1
211.14806	2.8
211.16910	10.1
212.09172	14.4
212.11609	9.7
232.17404	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.28916	1.0
53.03934	5.4
55.01873	7.8
55.05502	37.1
56.96559	8.4
57.03428	10.6
57.07052	3.6
59.05006	2.0
61.72217	1.1
65.03929	1.3
67.05493	33.5
69.03416	15.6
69.07055	14.3
69.68627	9.0
70.06583	2.0
71.04983	13.4
71.08631	1.3
71.45712	1.1
73.02903	2.7
73.06568	1.2
79.05482	32.2
81.03404	100.0
81.07037	44.7
83.04967	58.2
83.05470	2.7
83.08604	38.0
84.96003	1.9
85.02886	3.5
85.06525	4.9
87.04434	1.7
91.05460	34.5
93.07034	22.5
95.04955	35.3
95.08582	22.4
97.02863	5.8
97.06511	7.4
97.10154	9.2
97.99141	3.2
99.04436	4.1
99.08072	3.8
103.05439	2.1
104.41060	1.4
105.03370	2.2
105.07011	29.7
107.04937	9.1
107.08577	22.6
109.02863	2.2
109.06508	11.4
109.10128	12.8
111.04433	3.7
111.08057	16.0
113.09638	1.5
115.05391	1.4
116.00210	3.5
116.06245	1.2
116.50704	1.1
117.06985	2.0
119.04912	3.2
119.08550	28.2
121.06480	4.9
121.10126	12.2
122.03684	1.6
123.04368	2.8
123.08054	5.7
123.11659	6.0
125.05955	1.3
125.09622	6.2
127.03935	1.9
127.11279	1.7
129.06989	12.9
131.08549	14.2
133.06464	4.7
133.10115	18.6
135.08014	1.5
135.11649	8.5
137.05949	40.2
137.06992	2.4
137.09607	4.4
140.07057	6.9
141.06937	1.3
142.07762	3.1
142.08690	1.4
145.10146	1.8
147.04414	2.7
147.08017	6.4
147.11652	17.2
149.05905	2.3
149.09584	8.8
149.13275	1.6
151.03867	1.8
151.07520	4.8
151.11165	4.1
152.07083	1.9
153.05438	1.3
157.10097	19.4
165.05457	2.3
165.09125	3.1
165.12750	5.0
166.08601	9.4
167.06998	3.4
167.14322	2.4
169.10083	1.3
175.11159	22.3
175.14787	8.0
179.06955	6.3
183.06503	4.7
183.08002	1.7
183.11559	1.4
184.09656	24.7
193.04884	2.4
193.08578	3.3
193.12209	60.3
193.15858	6.5
211.05952	4.7
211.07648	2.8
211.09576	8.2
211.11476	1.8
211.13213	29.0
211.16852	6.5
212.09151	20.2
212.87129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	1S-Acetoxy-3-myodesertene
Peak:m/z	Relative Intensity
53.03938	1.2
55.01856	1.1
55.05493	5.1
56.96560	6.1
57.03423	1.8
57.07055	2.9
59.04986	1.4
61.28020	0.7
67.05492	12.8
68.99781	6.0
69.03409	3.0
69.06719	1.4
69.07061	12.6
70.58135	2.1
70.58526	1.5
71.04974	2.3
71.08611	1.2
71.92290	0.7
73.06155	0.6
73.06537	4.8
75.04464	13.6
79.05476	4.3
81.03405	6.0
81.07041	24.1
83.04958	4.4
83.08608	2.7
84.08114	0.8
85.02885	1.6
85.06529	11.0
91.05462	6.8
93.07020	7.6
95.04951	60.0
95.08593	25.6
97.02933	0.8
97.06490	1.7
97.99191	1.5
99.04438	4.8
105.07024	6.3
107.04921	0.9
107.08575	7.8
109.02848	1.5
109.06497	7.6
109.10137	21.8
111.04415	1.8
111.08064	2.9
112.07552	1.0
113.05978	0.9
115.07571	2.3
116.00216	2.0
119.04911	2.3
119.08558	6.9
121.06486	5.6
121.10117	1.7
122.03634	2.0
123.04408	2.9
123.08082	2.2
123.11686	100.0
124.12008	1.4
125.05944	0.8
125.09657	1.0
127.07553	1.3
129.06979	1.2
131.08539	1.4
133.06487	1.5
133.10098	8.6
135.08040	1.3
135.11609	3.8
137.05960	50.1
137.09587	27.1
139.07520	15.4
140.07037	2.6
141.05457	1.0
142.08630	1.1
143.08536	1.1
147.04404	2.3
147.08131	1.2
147.11693	2.0
149.09668	0.8
151.03813	0.9
151.07532	2.4
151.11150	16.1
153.05457	1.2
153.09038	1.1
154.06242	0.9
155.08521	1.0
157.10063	1.1
161.09584	4.7
163.03894	1.5
163.97856	1.0
165.05438	1.5
165.06839	1.1
165.09114	1.0
165.12714	1.0
166.08609	5.8
167.07033	2.1
169.10083	1.2
169.12259	3.3
175.11180	1.4
175.14748	2.2
178.06136	0.9
179.07022	3.3
179.10641	48.6
181.10098	0.9
183.06480	1.7
183.13805	2.2
184.09669	17.4
193.04962	1.2
193.08533	2.3
193.10631	1.2
193.12238	5.6
193.15804	1.2
211.05901	1.9
211.07690	1.6
211.09563	6.7
211.11455	1.3
211.13120	4.2
211.15005	1.4
211.16870	1.9
212.09143	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	211.1324
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03926	1.7
55.01854	2.0
55.05499	13.1
56.96540	0.8
57.03420	2.8
57.07044	1.0
57.61949	0.5
67.05489	11.3
69.03416	3.5
69.07052	4.5
70.06580	0.5
70.14211	2.5
71.04967	2.1
71.05329	0.5
79.05481	11.5
81.03403	35.6
81.07038	15.0
83.04963	17.8
83.08151	1.0
83.08607	14.2
85.02887	1.4
85.06522	1.2
85.96403	0.6
87.04465	0.8
91.05466	13.2
93.07024	7.4
94.04183	0.9
95.04381	1.0
95.04950	13.4
95.08579	6.9
97.02869	1.4
97.06509	1.9
97.10152	3.7
98.98435	0.7
99.08080	1.2
105.07020	11.1
107.04946	2.8
107.08582	4.0
109.06501	5.0
109.10114	1.6
111.04410	2.1
111.08067	5.5
115.05463	0.6
117.07022	0.6
119.04917	5.0
119.06071	0.5
119.08563	7.0
121.06499	1.5
121.10126	2.4
122.03609	4.2
123.08045	1.4
123.11689	0.7
125.09547	0.9
129.06978	3.8
131.08560	4.4
133.06503	3.0
133.10124	4.9
135.04468	0.6
137.05951	100.0
138.06210	1.1
140.07048	1.1
142.07715	1.2
145.10162	0.9
147.04379	8.0
147.08031	1.8
147.11652	5.3
148.58533	0.6
149.09608	3.1
151.07549	4.7
153.05440	2.1
154.06221	1.1
157.10103	7.1
161.05988	0.6
163.03859	1.1
165.12712	1.5
166.08612	1.8
175.11162	7.7
178.06235	1.0
179.07013	6.7
183.06552	0.6
184.09662	7.6
193.08630	0.9
193.12198	20.7
211.06081	0.6
211.09651	14.5
211.13197	13.3
212.09103	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.8
55.01845	1.7
55.05501	10.9
57.03411	2.8
57.07055	0.5
65.03923	0.6
67.05495	8.7
69.03413	2.2
69.07049	3.9
71.04974	1.6
71.78980	0.7
73.35551	0.6
79.05477	8.2
81.03402	25.5
81.07038	10.9
83.04964	12.0
83.08601	9.5
85.02865	0.8
85.06531	0.7
91.05457	11.2
93.07021	5.0
94.04153	0.6
95.04377	0.9
95.04948	10.7
95.08590	5.0
97.02871	0.9
97.06538	1.2
97.10138	2.5
97.52950	0.5
98.98438	0.5
99.08118	0.8
102.14135	0.5
105.07005	8.2
107.04932	2.9
107.08567	2.6
109.06485	3.8
109.10126	1.8
110.02361	0.7
111.04412	1.4
111.08057	4.4
111.46480	0.6
115.05412	0.6
116.00186	0.6
119.04897	3.6
119.08573	5.2
121.06474	0.9
121.10124	2.2
122.03603	3.7
123.04436	0.6
123.08026	1.1
125.09595	0.9
129.06993	3.1
131.08559	3.4
133.06462	2.6
133.10106	3.9
137.05948	100.0
138.06270	1.1
140.07066	2.0
147.04376	8.0
147.07986	1.1
147.11644	3.8
148.04720	0.6
149.09593	1.6
151.07504	5.1
152.07034	0.9
152.97749	0.5
153.05452	2.0
154.06194	0.8
157.10106	5.3
161.05988	1.3
163.03859	1.3
165.12782	0.8
166.08617	3.5
172.03839	0.6
175.11151	3.8
175.14786	0.7
178.06230	1.4
179.06998	7.3
183.06407	0.7
184.09656	9.2
193.08617	1.4
193.12186	14.9
194.08104	0.6
203.52135	0.5
211.09630	13.7
211.11353	0.5
211.13220	8.2
211.14990	0.5
212.09122	8.9
223.63803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.096
Annotation	3,4-Dimethoxymethylbenzoate
Peak:m/z	Relative Intensity
50.15690	0.3
55.01855	0.3
55.05495	0.4
57.03409	0.4
57.07062	0.3
57.29904	0.2
65.03918	0.4
67.05475	0.4
69.07050	0.4
71.01303	0.8
79.05486	1.1
81.03412	0.4
81.07034	1.0
83.08607	0.3
91.05466	3.1
93.06997	0.4
94.04181	0.9
95.04925	0.7
95.08580	0.5
105.07025	2.3
107.04910	0.7
109.06515	2.1
109.10135	0.5
110.02377	0.5
111.04514	0.2
115.05405	0.5
119.04931	3.9
121.06486	0.6
122.03616	4.3
125.05907	0.3
133.06441	1.8
137.05954	100.0
138.06265	1.2
139.03900	0.3
140.07019	1.2
145.99704	0.3
147.04376	7.1
149.05940	0.8
151.07507	3.9
153.05447	2.3
154.06245	1.3
155.01472	0.3
161.05988	0.4
163.03856	0.9
165.05475	0.3
166.08615	2.0
168.07790	0.4
178.06221	1.2
179.07005	6.9
181.08638	0.4
184.09654	4.1
187.36386	0.3
193.08580	0.6
196.12424	0.3
211.09625	12.6
211.11533	0.5
212.09158	3.0
221.08775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.95231	0.4
57.03411	0.7
65.03925	0.6
67.05489	1.5
69.07063	0.7
69.44141	4.9
79.05482	1.2
79.57111	0.4
79.72247	0.4
81.03382	0.5
81.07041	2.2
85.02887	0.6
91.05460	4.1
93.07040	1.0
94.04156	0.9
94.28485	0.5
95.04908	1.0
95.08595	1.3
98.98412	0.7
99.08095	0.6
103.05431	0.5
105.07026	2.8
107.04950	0.5
109.06512	2.4
109.10165	0.7
110.02361	0.8
116.15712	0.4
119.04905	3.4
119.08569	0.9
121.06408	0.7
122.03636	3.4
123.08002	0.6
133.06499	2.3
137.05956	100.0
138.06279	1.3
147.04393	6.0
151.07491	4.0
153.05482	2.5
154.06143	0.9
161.05975	0.8
163.03870	0.9
165.05457	0.6
166.08556	1.1
178.06339	0.9
179.07001	6.4
181.08598	0.9
184.09660	2.9
193.08667	0.7
193.12260	0.5
203.60837	0.5
211.09628	14.7
211.14856	0.9
211.16672	0.5
212.09018	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
55.01857	0.5
55.05499	0.3
56.96561	1.0
57.03432	0.5
65.03941	0.3
67.05524	0.3
70.91605	0.8
79.05487	1.0
81.03406	0.3
81.07047	1.3
85.02872	0.2
91.05468	2.9
93.07037	0.5
94.04173	0.8
95.04957	0.7
95.08603	0.7
97.99168	0.3
103.05462	0.3
105.07018	2.3
107.04943	1.0
108.05711	0.3
109.06492	2.0
111.04430	0.3
115.05445	0.4
119.04929	3.8
119.08545	0.3
121.06481	0.9
122.03625	4.3
123.04364	0.3
123.08086	0.6
125.05954	0.3
128.39241	0.3
133.06477	2.2
137.05959	100.0
138.06308	1.1
139.03873	0.5
140.07053	0.5
141.76808	0.2
143.04971	0.3
147.04398	7.8
149.05986	0.7
151.03857	0.3
151.07536	4.5
153.05469	2.5
154.04968	0.3
154.06206	1.1
161.05960	0.6
163.03867	1.1
165.05411	0.4
166.08600	0.9
167.07210	0.4
168.07840	0.3
169.09875	0.3
178.06216	1.0
179.07011	6.9
181.08534	0.4
183.06494	0.3
184.09642	2.2
193.08575	0.8
193.12115	0.3
196.07272	0.3
205.98859	0.3
211.09613	13.2
211.14845	0.5
211.16884	0.2
212.09120	2.4
223.93835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01875	0.7
55.05503	1.9
56.96556	2.2
57.03433	1.0
57.07080	0.5
60.48706	0.3
65.03944	0.5
67.05503	2.3
67.06719	0.3
67.36842	0.3
69.03427	0.9
69.07053	1.2
69.64581	0.3
70.06595	0.3
70.38222	0.8
70.38616	0.7
71.04987	1.1
79.05479	2.1
81.03407	3.8
81.07043	4.1
83.04971	2.4
83.08604	1.4
84.96025	0.4
85.02898	0.7
85.06545	0.3
91.05467	4.6
93.07019	1.3
94.04195	1.1
95.04954	2.5
95.08602	2.1
97.02903	0.4
97.06520	0.6
97.10129	0.4
97.99158	0.5
98.06067	0.3
99.04456	0.4
103.05434	0.7
105.07008	4.8
107.04948	0.7
107.08595	1.2
109.06499	3.3
109.10141	1.1
111.04483	0.4
111.08067	0.7
112.15834	0.3
115.05439	0.5
116.00223	1.0
119.04913	3.5
119.08562	1.6
121.06485	0.7
121.10134	0.9
122.03638	3.2
123.04440	0.6
123.08055	1.1
123.11690	2.6
125.05974	0.5
129.07031	0.6
131.08600	0.5
133.06502	1.7
133.10101	1.3
135.11710	0.6
136.07556	0.3
137.05957	100.0
138.06323	1.5
140.07042	1.0
147.04393	7.9
147.08029	0.5
147.11678	1.0
149.05972	0.4
151.03879	0.4
151.07521	5.5
151.11116	1.0
153.05446	2.3
154.06197	0.8
155.03363	0.5
155.08577	0.6
157.10114	0.8
161.05977	0.8
163.03845	1.0
165.05373	0.3
165.09123	0.6
165.12744	0.5
166.08607	1.3
167.07018	0.8
169.10143	0.4
169.42444	0.3
170.05705	1.2
175.11172	1.0
175.14876	0.4
178.06221	1.0
179.07014	7.6
180.10158	1.1
184.09685	3.6
193.08577	1.3
193.10594	0.5
193.12178	2.5
203.95071	0.3
211.06102	0.5
211.07970	0.5
211.09601	13.1
211.13220	1.5
211.14972	0.4
211.16707	0.6
212.09074	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03950	0.9
55.01844	1.5
55.05493	6.1
56.96563	3.4
57.03419	1.6
57.07071	1.8
58.66777	0.8
67.05491	7.7
69.03412	3.8
69.07055	6.5
71.04976	7.1
71.81450	1.5
79.05470	4.7
81.03435	1.2
81.07043	11.2
83.04987	3.6
83.08622	2.8
83.47820	0.9
84.42680	0.8
85.02879	0.8
85.06525	2.0
88.37280	0.8
91.05475	7.3
93.07021	5.9
95.04964	3.3
95.08591	11.5
97.02907	1.2
97.06566	2.3
97.10170	1.3
99.04442	9.5
99.08099	2.2
105.03445	1.3
105.07011	6.5
107.04956	1.2
107.08572	9.4
109.02849	1.3
109.06481	7.3
109.10137	20.4
109.10842	1.2
111.08079	2.1
113.06003	1.4
113.09641	2.1
115.05454	1.1
116.00210	1.3
119.04939	3.8
119.08556	7.6
119.44705	0.9
121.06585	1.3
121.10128	4.1
122.03609	4.7
123.04430	1.2
123.08051	5.7
123.11695	5.7
125.09665	3.2
127.07593	0.8
127.11229	1.0
133.06473	2.0
133.10097	9.2
135.11670	16.2
137.05951	100.0
137.09543	5.2
138.06328	0.8
139.03860	0.9
140.07045	1.0
141.05447	1.0
147.04362	6.8
147.08136	0.8
147.11653	2.2
149.05948	1.5
149.13264	2.6
151.04019	0.9
151.07555	5.6
151.11208	3.4
151.14828	2.9
153.05484	2.3
153.12781	2.1
154.06306	0.9
155.08591	1.0
161.05853	0.9
163.03886	1.0
163.97739	0.9
164.48248	0.8
165.05495	2.2
165.09053	1.5
165.12816	0.9
166.08635	2.7
167.07071	2.2
169.10107	1.1
175.11214	1.2
175.14778	8.9
178.06245	1.7
179.06999	8.3
183.06516	1.2
183.08043	1.0
184.09666	6.8
193.04935	0.9
193.08612	2.6
193.12247	2.2
193.15843	4.4
211.06026	1.3
211.09584	14.3
211.11360	1.4
211.13083	0.8
211.14981	4.4
211.16978	6.7
212.09138	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	210.9402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80506	10.5
61.67715	10.8
70.16186	52.2
70.16592	27.8
70.29364	11.9
77.79439	13.1
83.05437	10.4
97.95773	11.7
98.17985	11.8
104.57259	12.2
105.03687	25.5
120.94504	15.3
164.93567	11.3
210.93990	100.0
211.09991	19.2
211.11868	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
52.51457	0.2
53.03932	0.3
55.01860	0.2
55.05513	1.1
56.96558	2.0
57.03424	0.9
57.07070	0.4
58.51242	0.2
58.66790	0.2
59.92212	0.2
65.03954	0.4
67.05482	1.1
68.43362	0.2
69.03414	0.3
69.07056	0.3
69.80893	0.2
71.04987	0.5
71.78693	0.2
71.79103	0.4
72.41991	0.2
79.05479	1.6
80.05012	0.3
80.15836	0.2
81.03413	0.8
81.07040	2.2
83.04975	0.7
83.08606	0.8
84.96043	0.4
85.02895	3.1
91.05473	3.7
93.07040	1.1
94.04169	1.0
95.04951	1.4
95.07318	0.3
95.08602	1.5
97.02855	0.2
97.06538	0.3
97.10123	0.3
97.99155	0.5
99.04429	0.3
99.08112	0.4
103.05446	0.4
105.07020	3.1
107.04961	0.8
107.08586	0.9
109.06497	2.9
109.07184	0.3
109.10140	1.2
111.04453	0.3
111.08064	0.8
113.06062	0.2
115.05437	0.4
116.00210	0.7
118.04156	0.3
119.04932	3.6
119.08585	0.7
121.06513	0.9
121.10151	0.4
122.03618	3.4
123.04403	0.6
123.08064	0.8
123.11732	0.5
124.65009	0.2
125.05933	0.5
125.09650	0.5
127.03897	0.3
129.07056	0.3
131.08466	0.2
133.06473	1.7
133.10136	0.5
135.08057	0.2
135.11674	0.3
137.05959	100.0
138.06290	1.5
139.03859	0.4
140.07018	1.1
147.04387	6.3
147.07932	0.3
147.11635	0.4
149.05969	0.3
151.07532	4.4
151.11070	0.2
152.07056	0.3
153.05460	2.7
153.09030	0.3
154.06232	1.0
155.08583	0.4
161.05937	0.7
163.03926	0.8
165.05400	0.7
165.06680	0.2
165.09087	0.6
166.08691	1.1
167.07095	0.4
169.10109	0.8
169.12222	1.9
170.10921	0.3
175.11218	0.4
175.14804	0.6
178.06232	0.8
179.07022	7.0
181.08658	0.3
181.10097	0.6
183.06561	0.2
183.11559	0.3
184.09660	5.3
193.08563	0.9
193.10265	0.3
193.12202	0.9
193.15863	0.3
196.12421	0.9
205.98918	0.3
211.09608	12.9
211.11305	0.5
211.13153	1.5
211.14981	2.1
211.16870	0.3
212.09120	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	210.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05503	1.4
56.96550	2.3
60.04508	0.6
62.06081	0.8
64.07829	0.4
67.05486	1.2
68.05024	0.4
69.03421	1.4
69.07050	1.7
70.06594	0.7
71.80650	0.8
72.04513	1.1
72.08150	0.5
72.49865	0.6
75.94546	0.5
79.05486	1.9
80.05010	0.9
81.03378	1.0
83.04977	1.2
83.08591	0.6
84.04475	0.9
84.08139	1.3
84.96015	0.7
85.94574	0.6
86.06058	0.7
87.04509	0.8
89.03908	1.8
91.05463	5.0
93.07036	1.2
94.06554	0.9
95.04932	1.4
97.02887	0.7
97.06511	0.7
99.04464	0.8
103.05454	4.7
105.03393	0.6
105.07012	6.8
107.04945	4.0
107.08587	0.7
108.08089	0.5
109.02859	0.7
109.06483	1.5
109.10149	0.5
109.15218	0.5
110.06029	0.6
111.08085	0.6
116.00227	0.8
117.03334	0.7
117.05732	1.4
117.06964	2.6
118.06517	3.3
119.04874	1.1
119.07307	6.2
119.08582	0.6
120.08086	7.6
121.06476	1.6
121.10159	0.6
122.05991	1.3
123.04449	1.4
128.06215	0.7
129.06990	4.4
131.04913	1.9
131.07303	1.0
133.10118	0.8
134.10464	0.5
135.04375	2.2
136.03838	0.5
136.07565	1.3
137.05956	5.3
142.06529	0.6
144.08064	1.0
145.03424	1.9
145.96591	0.8
146.05983	0.8
146.09625	6.5
147.04375	2.4
149.05977	0.9
150.01891	0.6
150.05408	0.9
151.03915	0.6
151.07527	1.0
152.11499	0.6
155.29620	0.5
163.03876	8.9
163.97682	3.9
164.07025	2.8
164.10690	100.0
165.10995	1.4
167.06952	0.6
168.06509	0.5
168.14729	0.5
169.03464	2.1
174.05489	0.9
174.13585	0.5
178.05891	0.8
179.06944	0.9
181.98756	3.1
182.08115	1.0
183.06593	1.0
186.99287	1.5
187.04483	1.9
188.04657	0.8
192.06587	1.0
192.10161	1.5
192.14642	1.0
193.04959	0.7
205.00435	0.7
205.98750	0.9
210.07750	4.3
210.11226	24.0
210.15396	2.0
211.02345	1.4
211.09599	1.0
215.03984	0.7
233.05049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
67.05466	0.2
69.58195	0.8
69.58621	0.8
78.04704	1.3
79.01411	0.2
79.05465	0.8
81.07053	0.4
83.04940	0.2
90.99947	0.1
91.05437	0.5
92.05773	0.2
93.07024	0.3
95.04939	0.5
96.05733	0.3
104.05775	0.2
104.64449	0.1
106.04125	1.1
107.04914	0.3
109.02856	0.2
109.06506	0.2
119.08548	0.2
121.06467	0.3
122.06039	0.2
122.06824	0.6
123.04408	4.6
124.05212	1.5
134.03581	0.3
135.04414	0.2
137.05943	1.6
149.05962	0.3
151.03882	0.9
152.04677	1.6
163.97652	0.3
167.07004	100.0
168.04193	0.2
168.07379	1.9
178.05753	0.8
179.07031	0.2
181.08557	1.3
181.98700	0.2
210.08832	2.0
210.11009	0.4
210.15392	0.2
232.01642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	1.9
55.01858	1.8
55.05503	22.2
57.03419	1.3
57.07066	2.5
58.54090	1.2
59.04972	2.3
61.38090	1.3
61.45715	1.3
66.84543	1.4
67.05499	7.5
68.62405	1.3
69.03427	10.8
69.07057	14.1
69.96211	3.5
69.96616	6.7
71.04989	6.6
79.05476	7.8
81.03417	1.4
81.06657	1.4
81.07049	16.7
83.04967	27.9
83.08607	15.7
85.02887	1.3
85.06508	3.0
91.05444	6.1
93.07034	12.5
95.04951	50.9
95.08597	25.4
97.06489	7.6
97.10138	2.4
98.20730	2.0
99.04438	9.0
99.08068	4.7
103.05435	1.9
105.07030	10.7
106.04152	2.2
107.08570	37.8
109.06503	14.1
109.10129	21.1
111.08054	5.1
112.53195	1.3
112.94415	1.2
117.06985	1.8
119.08550	5.9
121.06512	7.7
121.10118	34.4
123.08026	7.4
123.11693	6.4
125.05937	1.5
125.09602	13.8
131.08533	6.1
133.10107	15.7
135.08044	11.9
135.11662	6.0
137.09570	5.2
139.11108	6.3
143.08505	1.8
145.10130	3.5
147.11665	6.5
148.08809	1.2
149.05959	4.4
149.09610	10.0
149.13223	22.8
151.11156	100.0
152.11438	2.7
153.09081	16.4
158.10927	2.4
163.14803	8.0
165.12758	8.9
167.14287	22.4
173.13232	15.9
177.05464	3.2
191.12550	2.5
191.14281	42.9
209.08014	2.7
209.15334	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03918	2.1
55.01847	2.0
55.05502	37.0
57.03415	3.2
57.07051	3.8
59.04987	3.6
67.05477	10.4
67.93243	1.4
69.03403	4.8
69.07057	6.3
70.84206	4.5
71.04979	5.9
71.05355	1.6
79.05479	12.4
81.07041	27.3
83.04495	2.6
83.04967	39.5
83.08607	21.5
85.06541	3.4
90.32502	1.7
91.05462	7.0
93.07034	14.2
95.04955	73.0
95.08574	10.0
95.18855	1.6
97.06519	31.9
97.10155	4.2
99.04451	13.9
99.08050	2.2
101.91578	1.3
105.07022	10.2
105.12229	1.4
107.08579	25.9
109.06499	100.0
109.10130	26.7
111.08049	8.3
113.09653	3.3
117.07001	1.7
119.08549	5.5
121.06506	3.6
121.10120	23.5
123.08025	5.7
123.11683	6.2
125.05915	1.6
125.09594	7.0
131.08548	11.3
132.26686	1.6
133.10114	43.6
135.08051	10.7
135.11711	3.1
145.10114	3.6
147.11679	2.4
149.05913	1.9
149.09576	2.7
149.13200	7.5
151.11151	20.1
153.09077	33.8
158.10921	2.8
163.14793	5.7
167.14296	38.6
173.13232	16.8
177.05434	2.7
191.14268	23.1
209.09691	2.6
209.15337	56.6
210.15741	2.5
225.33560	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03064	1.2
53.03912	3.0
53.07428	1.4
55.01842	2.9
55.05500	85.4
57.03428	3.4
57.07058	3.2
59.04987	3.3
63.69985	1.6
65.94002	1.4
67.05489	12.0
69.03400	6.7
69.07038	5.1
69.72940	1.3
71.04971	3.1
71.35363	2.9
77.40388	1.2
79.05473	4.0
81.07027	12.3
83.04963	85.6
83.08606	54.5
85.06517	2.9
91.05448	4.9
93.07027	9.6
95.04937	8.9
95.08570	9.9
97.06509	8.9
97.10130	10.8
99.04433	2.0
105.06991	6.7
107.04959	1.6
107.08573	27.5
109.06510	12.9
109.10140	28.2
111.08063	14.5
113.09647	2.0
119.08552	1.3
121.06468	1.8
121.10112	10.2
123.07970	1.9
123.11687	15.3
125.09604	18.2
131.08521	4.2
133.10136	12.2
135.08008	3.8
137.09525	1.7
142.62679	1.6
145.10078	2.4
147.11659	2.5
149.05901	2.4
149.09532	3.3
149.13223	10.2
151.11159	62.7
152.11499	2.1
153.09033	4.7
158.10815	1.5
163.11224	2.5
167.14287	100.0
168.14577	1.8
173.13232	6.2
177.05400	2.5
191.14241	8.9
209.04288	2.3
209.08104	2.4
209.15329	48.6
224.00655	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01845	4.8
55.05500	100.0
57.03417	3.3
57.07053	3.0
58.47703	1.6
59.04976	7.5
59.12185	1.5
67.05489	12.1
67.11549	1.9
68.82835	1.6
69.03405	6.8
69.07056	10.0
70.40766	7.2
71.04967	5.8
74.40585	1.5
77.41026	1.6
79.05485	10.7
81.07047	17.0
82.06574	10.4
83.04497	3.3
83.04967	58.8
83.08602	65.0
83.56850	1.7
84.08128	3.9
84.72993	1.6
85.02885	2.7
85.06511	6.3
91.05449	9.4
93.07024	34.7
95.04952	46.6
95.08587	11.5
97.06512	12.7
97.10130	5.8
99.04443	8.9
99.08067	2.7
100.11233	33.6
103.05421	3.0
105.07021	11.4
107.08572	45.8
109.06512	22.9
109.10146	32.9
110.06020	7.0
111.04420	2.3
111.08092	10.1
113.05986	2.2
113.09636	3.9
113.78101	2.1
115.07535	2.0
119.08561	5.1
121.06488	11.1
121.10128	74.8
123.08008	3.6
123.11681	14.6
125.06023	2.0
125.09598	14.0
127.08625	2.4
131.04924	1.9
131.08545	6.1
133.10107	24.3
135.08046	5.0
135.11665	4.7
139.08620	6.8
139.11011	3.0
145.02815	2.2
149.05940	5.8
149.13281	9.6
151.11148	56.4
152.11409	1.7
153.09082	16.8
158.10904	2.5
163.03810	1.9
163.07539	2.5
163.11197	2.1
163.14778	14.0
167.14290	69.9
168.14557	2.2
173.13257	7.8
174.18588	1.7
177.05389	11.0
191.06926	4.0
191.10641	2.2
191.14256	17.4
194.02164	2.1
209.04341	4.7
209.08067	5.1
209.15024	46.8
209.16771	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03921	0.7
55.01858	1.3
55.05501	3.3
57.03415	1.1
57.07063	3.9
58.62589	0.4
60.23406	0.5
65.03923	0.6
67.05495	4.2
69.03410	1.6
69.07052	2.1
70.37302	2.7
71.04977	2.8
78.04693	0.7
79.05457	3.2
81.03406	0.8
81.07034	5.1
82.85751	0.5
83.04966	4.1
83.08591	2.2
85.06532	1.1
91.05454	5.2
93.03397	0.7
93.07021	4.8
95.04953	6.5
95.08582	5.2
97.06517	1.6
103.05444	1.5
105.06995	4.4
106.04134	3.0
107.08582	6.9
109.06497	100.0
109.10144	13.0
110.06818	1.5
111.08081	2.4
117.06998	1.3
119.08571	1.8
121.06469	3.5
121.10109	3.8
123.08049	8.8
123.11677	1.0
125.05973	1.0
125.09573	1.3
131.08530	6.4
133.10112	4.3
135.08029	26.1
135.11662	0.8
139.07611	0.6
139.11108	0.7
145.10138	1.5
145.59749	0.5
147.11737	1.0
149.04953	0.6
149.05959	3.2
149.09598	3.3
149.13228	1.8
150.06223	0.6
150.10286	0.9
151.11166	3.1
153.09071	6.0
158.10893	1.8
163.07692	0.6
163.14821	0.6
165.12727	1.8
167.14249	3.3
173.13239	8.1
177.05473	2.3
181.08662	0.7
191.06978	0.6
191.14273	24.1
194.02107	0.5
209.08096	2.3
209.15338	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01859	1.9
55.05497	5.7
57.03432	1.6
57.13797	1.4
59.04990	1.8
60.69090	1.2
67.05488	5.7
67.70980	1.3
69.03413	6.4
69.07052	5.7
71.57562	2.7
79.05482	13.3
81.07043	27.3
83.04976	3.4
83.08591	1.9
91.05453	10.1
93.07036	6.7
95.04970	2.9
95.08594	4.2
97.06513	2.1
105.07007	11.5
107.08575	63.7
107.09299	3.1
109.06495	16.1
109.10120	10.6
111.11682	1.5
115.05448	3.3
117.07021	5.2
119.08567	4.4
120.39487	1.3
121.06493	3.0
121.10139	23.5
122.07275	8.0
123.08060	2.8
123.11693	3.0
125.09631	2.4
131.08537	2.8
133.10107	100.0
134.10432	2.3
135.08023	25.4
135.11699	1.9
137.09590	86.5
143.95218	1.3
145.10121	3.0
147.11673	2.3
149.09630	1.9
149.13220	18.0
151.11151	5.6
151.80270	1.5
153.09148	1.9
163.14790	7.7
167.14261	1.7
173.13245	7.5
177.05473	1.4
191.14287	16.2
209.15306	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	209.1532
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03943	2.8
55.05500	79.6
57.03421	1.7
59.04973	5.2
61.55592	1.4
66.21770	1.5
67.05480	9.2
69.03411	7.7
69.07051	4.5
71.04958	3.2
71.54660	3.6
79.05479	3.8
81.07039	16.7
81.51135	1.5
82.04477	1.3
83.04962	79.8
83.08604	53.1
84.05292	1.5
85.06514	4.8
89.72997	1.6
91.05463	3.9
93.07020	9.8
95.04965	18.0
95.08593	9.5
97.06514	13.9
97.10162	7.9
99.04457	2.7
99.08057	2.4
105.06997	4.6
107.08572	18.3
109.06498	30.8
109.10141	33.1
110.06841	1.5
111.04366	1.7
111.08051	13.8
113.09612	2.3
121.10126	13.5
121.54974	1.5
123.08038	1.9
123.11671	13.5
123.44472	1.7
125.09583	13.4
131.08521	3.8
133.10106	17.3
135.07988	3.2
145.10118	2.1
147.11670	1.7
149.13223	9.8
151.11151	61.3
153.09067	13.0
163.14862	1.9
167.14285	100.0
173.13255	8.6
191.14294	9.9
209.15332	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03927	4.8
55.01853	8.0
55.05503	63.0
57.03413	10.4
57.07058	5.7
59.04992	6.8
61.66644	2.6
62.51082	2.7
65.03927	3.1
67.05511	14.0
69.03397	9.6
69.07061	13.5
69.17619	2.5
70.99179	5.8
70.99556	5.8
71.04977	15.4
79.05485	17.7
80.60947	2.4
81.07037	31.3
83.04491	4.6
83.04964	63.7
83.08146	4.3
83.08601	45.1
85.06512	5.7
86.12994	3.1
91.05455	13.2
93.07040	26.3
93.90204	2.7
95.04947	93.8
95.08594	27.0
95.46318	3.0
97.06507	29.7
97.10144	6.3
99.04450	20.6
99.08064	6.4
105.07008	18.2
107.08575	42.5
109.06498	74.4
109.10144	34.4
111.08045	18.7
119.08530	9.5
121.06503	7.8
121.10133	36.0
123.08069	13.1
123.11655	9.8
125.09618	20.1
131.04874	5.1
131.08537	10.0
133.09143	5.9
133.10101	61.2
135.08000	12.3
135.11653	6.7
145.10074	6.5
147.11652	8.0
149.05937	3.6
149.09613	14.1
149.13246	15.5
151.11143	45.1
153.09090	52.8
156.73195	2.8
158.10860	5.1
163.14786	6.4
165.12682	5.5
167.14304	69.8
168.60361	2.9
173.13251	25.7
176.76915	2.8
177.05399	9.4
191.14281	56.8
209.04352	3.8
209.08041	7.9
209.09813	2.9
209.13318	6.0
209.15334	100.0
218.17163	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
53.03927	1.7
55.05498	33.3
57.07060	1.3
59.04984	3.7
64.55975	1.4
64.66293	1.2
67.05489	3.6
69.03413	4.5
69.07040	8.7
71.04980	2.3
71.34038	2.0
71.34373	1.4
79.05474	5.8
81.07040	8.2
83.04972	34.1
83.08607	23.6
83.32176	1.1
85.06535	1.7
91.05465	5.6
93.07023	26.9
95.04955	41.3
95.08612	6.6
97.06475	2.7
97.10146	5.1
99.04442	7.4
105.07012	4.6
107.08579	31.6
107.48528	1.4
109.06483	8.7
109.10136	11.4
111.08056	5.5
119.08557	4.2
121.10124	100.0
122.10471	2.5
123.08009	2.2
123.11690	3.5
125.09618	7.6
133.10101	7.0
135.11682	3.7
149.13245	5.4
151.11171	29.3
151.12399	1.6
153.09077	11.9
163.14795	19.5
167.14287	42.5
167.15677	2.4
173.13235	3.6
191.14259	13.9
192.62724	1.2
209.15334	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03928	2.9
55.01851	5.7
55.05500	89.8
57.03415	2.8
57.07065	3.0
59.04984	4.2
67.05503	11.3
69.03403	6.1
69.07040	7.0
69.70377	10.4
69.70788	3.0
71.04976	5.7
79.05471	9.1
81.07044	20.4
83.04965	100.0
83.08605	51.4
85.06536	3.6
85.14307	1.8
91.05453	5.6
93.07024	22.1
93.94088	1.5
95.04947	51.1
95.08588	14.7
97.06528	13.6
97.10158	10.1
99.04432	8.1
99.08124	2.0
103.05360	1.8
105.06985	9.6
107.08572	35.6
109.06499	33.3
109.10136	31.1
111.08068	12.7
113.09588	3.5
119.08540	3.3
121.06500	2.3
121.10121	45.2
123.08054	6.5
123.11710	14.3
125.09610	18.3
131.08551	7.3
133.10107	22.7
134.10353	2.1
135.08022	6.9
135.11612	1.9
144.95811	1.6
145.10130	3.1
147.11635	3.2
149.05960	1.8
149.09572	5.8
149.13257	11.8
151.11151	51.3
153.09079	22.4
163.04019	1.7
163.14810	6.4
167.14287	91.3
173.13214	10.9
174.69629	1.5
177.05403	3.1
191.14291	17.2
209.09799	2.4
209.15329	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	209.0805
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03942	7.3
55.01862	31.9
55.05498	34.8
57.03420	3.4
57.07064	3.7
59.04975	2.7
65.03922	11.5
67.05497	19.6
67.25974	2.1
69.03429	9.2
69.07053	14.3
71.04980	10.0
71.81366	2.9
72.19949	1.8
75.04459	4.8
76.43671	2.0
77.03927	2.5
78.04681	9.6
79.05476	17.8
81.03392	4.3
81.07045	19.5
83.04964	39.1
83.08604	17.7
85.02887	9.1
85.06541	4.6
85.68671	2.0
89.03909	7.5
89.06009	4.4
91.05466	47.9
93.03393	23.8
93.07030	37.2
95.04957	46.4
95.08585	12.5
96.82279	2.4
97.06514	18.0
97.10153	2.7
99.04448	6.8
99.08035	2.0
103.05455	22.7
105.03405	3.5
105.04512	2.7
105.06990	18.7
106.04150	69.9
106.76938	1.9
107.04942	11.0
107.08563	34.7
109.02837	4.8
109.06499	22.8
109.10129	16.3
111.04411	4.2
111.08078	7.8
117.03375	5.5
117.07019	4.0
118.04178	3.0
119.04944	6.4
119.08573	9.2
121.06487	83.4
121.08402	2.7
121.10122	26.8
123.04400	6.0
123.08036	10.0
123.11676	8.7
124.05161	4.0
125.05952	13.6
125.09592	12.5
131.04887	8.2
131.08540	7.9
133.02789	2.5
133.10101	19.8
134.03596	13.6
135.04414	5.6
135.08034	16.8
135.11678	8.2
137.05969	13.3
137.09602	7.3
138.03056	2.2
138.06731	3.0
139.07520	8.1
139.11188	2.4
145.02838	10.5
145.10095	12.6
147.04362	3.9
147.11664	11.8
148.05171	9.2
149.05952	100.0
149.09615	11.6
149.13237	11.6
151.03934	2.6
151.07561	5.3
151.11154	25.8
152.08266	2.4
153.05453	9.1
153.09071	25.9
159.04410	2.2
163.03893	3.0
163.07518	7.9
163.11142	12.7
165.05432	2.3
165.12738	8.1
166.06261	4.3
167.07062	3.1
167.14279	37.0
173.13220	12.4
176.04712	2.3
176.12050	2.5
177.05441	53.9
181.06471	2.0
181.07047	2.8
181.08554	25.8
181.98865	2.5
191.06999	15.2
191.10638	7.6
191.14294	25.3
209.04350	13.2
209.06093	3.8
209.07948	35.2
209.09659	4.9
209.11682	4.9
209.15308	49.5
210.84654	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01866	1.1
55.05496	4.5
57.07063	5.8
59.04984	1.2
65.03927	1.3
67.05492	26.0
69.03402	2.9
69.07053	3.2
70.71545	3.4
71.04984	2.2
73.18924	1.0
75.04848	0.9
78.04341	0.9
79.05487	3.5
80.49374	0.9
81.07036	4.6
83.04973	3.5
85.06528	10.7
91.05470	8.0
91.11049	1.1
93.07027	10.2
95.04961	3.5
95.08591	100.0
96.08917	1.4
97.06528	1.2
105.07014	13.7
107.08565	15.6
109.06500	3.5
109.10147	2.3
113.06001	8.9
119.08561	18.9
121.06503	2.5
121.08409	2.0
121.10114	13.9
123.08043	41.6
123.11738	4.5
125.09597	1.1
126.38065	0.9
131.08543	3.5
133.06483	1.1
133.10115	3.2
135.08044	2.0
135.11656	5.7
137.09610	4.4
139.07541	2.0
145.10120	1.3
147.08038	4.2
147.11678	11.6
149.09590	44.7
150.10049	1.1
151.07556	1.3
151.14833	3.5
156.09329	2.1
159.08038	1.7
161.09578	1.6
161.13217	13.8
163.11154	1.7
165.09004	1.1
165.12746	9.6
171.11674	3.9
174.10445	2.5
179.14264	2.8
189.12700	15.9
207.13768	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	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	2.3
55.05502	14.7
55.05751	1.1
57.03416	0.9
57.07066	0.8
59.05005	1.3
62.43370	0.8
66.98394	0.8
67.05515	2.2
69.03418	25.3
69.07061	1.2
70.18080	0.8
70.22122	3.3
71.04978	1.4
76.79226	0.9
79.05463	5.3
81.07045	2.8
83.04974	2.8
84.61613	0.8
85.02896	1.1
91.05452	9.4
93.03425	1.1
93.07019	5.1
95.04944	3.8
95.08591	6.6
103.05447	2.6
105.07011	12.2
107.04935	3.9
107.08571	9.7
107.09217	0.9
108.05719	1.1
109.06498	7.5
109.10107	1.4
117.07029	2.4
119.04929	1.6
119.08563	8.6
120.08144	1.5
120.09404	0.8
121.06484	57.0
121.10124	5.8
123.04433	1.4
123.08051	16.2
123.11700	1.3
128.06241	0.8
129.06938	1.0
130.07777	1.9
131.08543	1.4
133.06468	32.0
133.10121	3.3
135.08041	8.6
135.11674	2.6
137.05971	1.6
137.09613	3.3
143.08545	1.5
144.01984	0.8
145.06551	0.9
145.10109	2.6
147.04414	1.3
147.08051	2.5
147.11699	4.9
148.08813	1.2
149.09587	8.9
151.07558	7.6
155.60657	0.7
156.09323	1.4
161.05942	0.9
161.09598	2.2
161.13266	2.8
163.11157	100.0
164.11551	2.3
165.05449	1.1
165.09065	1.6
165.12817	3.9
165.14093	0.9
171.11655	1.4
174.10321	1.2
175.03909	0.9
178.07683	1.3
179.08620	2.3
179.10699	0.8
189.07483	1.4
189.09105	1.3
189.12729	11.4
192.04051	0.9
207.02934	1.2
207.06470	6.9
207.08200	2.7
207.10210	2.9
207.13766	49.3
219.77255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.79856	0.8
55.05488	2.5
59.04993	2.0
63.51925	0.7
67.05485	4.8
69.03407	3.6
69.07036	2.2
71.04984	4.4
71.80775	1.4
75.72684	0.8
79.05486	4.9
80.12907	0.8
81.03366	1.1
81.07036	5.2
83.04954	3.7
85.02863	1.3
85.06522	1.4
91.05451	6.2
93.07014	6.0
95.04958	2.5
95.08585	13.5
97.06513	2.0
105.07012	13.4
107.04915	1.4
107.08570	9.6
107.18722	0.8
109.02850	0.9
109.06499	7.9
109.10134	3.2
111.08132	1.1
114.74792	0.8
119.04938	4.7
119.08564	10.7
121.02840	1.4
121.06468	3.7
121.10132	10.1
123.08044	19.7
123.11668	2.6
131.08499	2.4
133.06499	4.4
133.10097	4.3
135.08006	1.7
135.11682	1.1
137.05896	1.3
137.09607	5.5
137.13249	1.6
140.59459	0.8
143.08511	2.5
145.10054	1.9
146.03625	1.3
147.04376	2.0
147.08006	4.3
147.11664	8.7
149.02357	0.9
149.09590	100.0
150.09930	2.5
151.07549	4.9
153.06850	0.8
156.09340	3.5
159.08035	1.4
160.08815	1.0
161.05997	2.0
161.09595	3.1
161.13245	9.5
163.11183	1.4
165.12727	6.4
170.54095	0.9
171.11646	6.3
174.10376	3.2
175.03874	1.5
178.07681	1.1
179.06975	1.0
179.08531	2.6
189.05409	1.3
189.09134	2.0
189.12715	24.1
192.04074	1.3
207.02873	0.9
207.06400	10.1
207.08305	4.7
207.09828	1.4
207.13766	62.6
208.14076	1.6
213.75131	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01846	1.4
55.05500	4.6
57.03407	1.1
57.07051	2.8
59.04974	1.8
67.05489	13.0
69.03417	9.2
69.07037	3.7
70.23094	5.6
71.04961	4.3
79.05488	8.2
81.03400	1.1
81.07033	9.9
83.04971	8.1
83.08588	1.1
85.02888	10.8
85.06509	4.2
91.05460	13.5
93.07024	15.4
95.04944	6.2
95.07986	2.0
95.08587	36.4
97.06490	4.5
103.05422	1.3
105.07005	26.7
107.04920	2.9
107.08578	26.4
109.02903	1.3
109.06489	14.5
109.10114	4.5
111.04421	1.1
111.08059	3.8
113.05975	1.7
115.96376	1.1
117.07005	2.1
119.04891	4.1
119.08566	26.6
119.33260	1.0
120.08086	1.4
121.06464	4.7
121.08363	1.3
121.10114	18.2
123.04408	2.6
123.08044	33.9
123.11669	9.9
125.05939	1.5
128.06203	2.8
129.06984	2.1
131.08559	8.9
133.06451	8.1
133.10097	8.2
133.97433	1.7
135.08002	3.3
135.11650	2.9
137.05939	1.9
137.09592	7.1
137.13203	2.2
141.06961	1.2
143.08519	4.3
145.06422	1.1
145.10098	6.4
147.04366	2.8
147.08034	10.1
147.11661	20.6
149.09593	100.0
150.10013	1.7
151.07504	8.7
156.09311	4.6
159.08055	2.2
159.11646	1.0
160.08809	1.9
161.05957	3.5
161.07806	1.0
161.09560	4.3
161.13217	19.7
163.11183	4.0
165.09041	2.9
165.12718	13.7
171.06345	1.1
171.11661	10.3
174.10411	5.8
175.03864	1.8
179.06993	2.0
182.01324	1.1
189.07468	1.4
189.09096	5.3
189.12720	48.1
192.04024	1.6
207.02811	1.4
207.06454	15.0
207.08253	1.7
207.10135	4.2
207.13766	88.5
208.13991	1.2
213.81767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.077
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04471	1.5
65.30785	1.4
71.43272	3.0
74.68816	1.7
76.20926	1.6
100.02462	3.1
101.00845	8.3
116.05312	1.7
118.03415	1.9
118.06513	8.4
119.01893	72.7
120.01998	2.2
121.01643	2.8
124.02416	6.8
124.93813	1.8
130.06496	5.7
137.02919	27.5
137.56792	1.8
142.03471	100.0
143.03502	2.6
146.05969	4.9
150.02661	4.6
156.05028	2.3
160.04526	47.4
160.07585	5.7
161.02971	13.9
165.05069	6.3
179.03957	3.3
183.02948	2.2
183.06187	3.0
184.04543	12.9
188.06985	6.9
191.14226	3.1
201.02391	4.0
202.05446	2.6
203.68568	1.8
206.08086	12.6
206.11826	2.4
207.06416	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0808
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
50.01580	0.2
68.99785	0.5
70.02940	0.9
71.47053	0.4
77.03923	0.2
83.34359	0.2
84.86845	0.2
87.00811	2.7
91.05460	1.9
93.07030	2.5
94.14515	0.2
95.04968	0.4
95.08608	0.3
101.60487	0.2
103.05447	11.8
118.06520	16.6
120.08080	100.0
121.06467	0.4
121.08442	1.1
123.08060	0.3
128.04903	1.3
130.06512	0.2
142.06497	0.2
144.08038	0.2
145.06413	0.3
146.05977	13.4
147.06299	0.3
149.09579	0.5
160.07555	0.3
161.05856	0.3
164.06981	0.2
170.05991	0.2
188.07043	13.0
189.07370	0.2
206.08093	8.4
207.13852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.6
57.07055	5.1
59.04988	1.2
67.05490	28.8
69.03409	3.5
69.07068	2.2
70.77998	3.0
71.04956	2.0
77.03931	1.3
79.05470	3.9
81.07047	3.6
83.04967	3.1
85.06541	10.3
91.05469	6.2
93.07025	11.6
94.90487	1.2
95.04964	3.7
95.08591	100.0
105.07021	12.3
107.04953	1.1
107.08584	18.3
109.06506	4.6
109.10123	1.8
111.08063	1.2
113.06021	7.4
119.08553	19.9
120.09325	1.2
121.06503	1.8
121.10129	12.6
123.08048	50.2
123.11683	4.0
125.09615	1.8
131.08531	4.4
133.06454	2.9
133.10120	4.0
135.11610	6.4
137.09621	5.9
139.07567	1.4
145.10147	1.7
147.08041	5.5
147.11671	11.5
148.82713	1.1
149.09593	51.3
151.14809	4.9
153.77834	1.0
156.09315	2.2
161.09645	2.3
161.13243	17.0
165.09114	2.2
165.12720	11.1
171.11731	2.6
174.10365	2.6
179.14253	1.9
186.35378	1.2
189.12712	19.3
207.13773	33.1
207.15591	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0445
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
55.52596	0.3
71.03850	0.6
71.04185	0.3
83.37598	0.3
90.00030	0.3
104.05001	0.4
118.06538	1.3
119.06831	1.6
132.04428	21.5
132.08043	0.4
133.08414	0.3
136.03934	0.3
145.08432	0.4
146.05986	1.2
147.06334	3.4
160.03937	0.4
160.07559	0.4
160.09470	0.4
171.06296	0.4
177.07811	1.6
178.04962	100.0
179.05353	2.5
188.07027	0.9
189.07372	5.3
191.14374	0.3
206.04459	69.9
206.11732	3.5
206.77589	0.3
207.04750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1947
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03933	1.4
55.05502	9.1
57.07067	5.9
60.04510	1.1
65.03929	1.8
67.05495	7.4
69.03427	0.8
69.07056	15.4
71.08608	0.7
71.18536	1.3
79.05474	8.8
79.63893	0.7
81.07043	46.3
83.08601	4.5
84.04470	0.8
85.04800	0.8
91.05463	3.8
93.03360	1.0
93.07027	38.1
95.04958	1.3
95.08588	27.6
96.08907	0.7
97.02328	0.8
97.02869	4.3
97.10137	5.4
99.04444	1.5
105.07010	2.6
107.08572	26.8
109.02824	3.2
109.10138	25.9
111.11694	2.3
118.06499	1.3
118.88979	0.6
119.08521	1.1
121.02859	2.6
121.10124	100.0
122.10466	1.3
123.08047	1.1
123.11693	10.1
127.03882	1.9
127.05801	1.0
135.11667	19.5
137.13242	0.9
146.06064	1.2
149.02315	28.9
149.13231	37.6
150.02638	0.9
155.91614	0.7
160.07538	1.1
163.14803	4.0
167.03389	0.7
170.05971	0.7
187.11838	1.6
188.06989	0.7
205.08836	1.2
205.12239	1.3
205.19490	27.1
206.08110	2.3
225.27420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.86349	0.9
53.03922	1.1
55.05507	5.3
57.03432	0.9
57.07059	6.5
60.04512	2.5
65.03918	1.5
65.80038	0.9
67.05493	9.0
69.03414	1.5
69.07056	13.4
70.98187	2.0
79.05486	11.0
81.03401	3.1
81.07041	46.8
81.22243	0.8
83.08615	5.5
84.04464	1.9
85.02876	3.1
85.04817	1.0
87.04463	0.8
91.05455	5.4
91.55305	1.0
93.07027	38.4
95.08587	28.6
95.69180	0.8
96.08932	1.0
97.02874	9.5
97.10146	3.2
99.04438	1.9
105.07008	3.5
107.08572	24.5
108.08828	0.8
109.02850	8.0
109.10143	19.8
111.11646	1.7
116.05282	1.2
118.06499	2.8
119.08533	1.6
121.02834	3.0
121.06487	1.6
121.10123	100.0
121.85267	0.9
122.10452	1.6
123.11692	12.5
126.05481	0.9
127.03897	2.5
127.05830	2.7
128.07040	1.4
130.06474	2.3
132.08037	1.2
135.11678	18.8
137.13271	0.9
146.05986	2.4
149.01208	1.7
149.02319	24.0
149.13232	36.7
160.07524	2.0
163.14772	3.3
170.05966	1.9
177.12741	1.6
178.08574	1.2
187.11827	2.4
188.07059	4.1
205.08879	3.5
205.12247	2.3
205.14122	1.9
205.15862	1.1
205.19533	22.6
206.08002	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	205.1946
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
50.22858	0.6
53.03933	0.9
55.01855	0.6
55.05498	7.8
56.31538	0.5
57.07063	11.5
58.34660	0.6
60.04499	0.6
65.03921	5.8
67.05495	8.1
69.03404	1.0
69.07053	14.9
71.08628	1.1
71.31290	0.5
79.05470	8.0
81.03410	1.6
81.07040	39.4
83.08610	4.1
85.02870	1.0
91.05448	4.4
93.03371	1.5
93.07025	35.4
95.04923	1.1
95.08584	26.5
97.02873	3.7
97.10165	4.2
98.03661	0.7
98.20612	0.9
99.04435	1.2
105.06998	3.5
107.08571	24.2
109.02866	2.1
109.10130	22.0
109.10860	1.4
111.04440	0.9
111.11700	2.6
117.06933	0.6
118.06529	1.7
119.08508	1.0
121.02837	8.7
121.03948	1.0
121.10118	85.5
122.10470	1.8
123.11685	11.3
127.03836	0.9
127.05864	1.1
130.06526	0.8
135.11661	17.6
137.13208	0.7
146.05984	1.3
149.02310	100.0
149.13226	35.4
150.02612	4.5
160.07527	0.8
163.14799	3.5
167.03363	1.7
187.11894	0.9
188.06992	1.1
190.04947	1.2
191.14304	1.7
198.72070	0.6
205.08679	1.0
205.12227	0.9
205.19489	27.1
206.08124	2.7
206.19804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03933	2.6
54.66523	1.1
55.05504	14.4
57.06757	1.4
57.07061	13.8
59.87468	1.1
60.04504	3.9
61.04836	1.2
65.03931	3.0
67.05491	16.3
69.03410	3.1
69.07055	29.7
69.86771	7.4
71.08617	2.3
71.51899	1.2
78.64582	1.1
79.05482	13.5
81.03387	3.3
81.07040	57.4
82.07369	2.1
83.08611	11.8
84.04463	1.9
85.02882	4.5
85.04806	1.6
88.02181	1.7
91.05478	5.6
93.07027	47.3
95.08591	44.7
96.08904	1.6
97.02876	13.6
97.04771	1.2
97.10150	9.2
98.03202	1.3
99.04418	3.5
105.07035	5.1
107.08572	50.5
109.02850	10.4
109.06458	1.2
109.09384	2.3
109.10139	44.7
111.11683	4.4
116.05277	1.1
117.06989	1.4
118.06512	5.8
119.08543	2.8
121.02862	4.0
121.03987	1.5
121.06517	1.3
121.10123	100.0
122.10434	2.7
123.11685	23.2
126.05486	1.4
127.03887	4.1
127.05824	4.3
128.07066	2.1
130.06496	3.7
133.10091	1.5
135.11668	40.4
136.11975	1.7
137.13190	3.0
139.03905	1.3
144.08086	1.7
145.10075	1.3
146.06009	6.1
147.11649	1.4
149.02313	38.4
149.13228	63.5
159.11641	1.3
160.07513	3.6
163.14795	7.4
170.06013	2.1
177.12617	2.0
187.11868	2.2
188.07104	7.3
190.11902	1.2
205.04991	1.6
205.08856	3.9
205.12263	3.6
205.14156	7.6
205.15916	4.2
205.19481	60.6
206.08032	5.7
206.19806	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50066	0.4
52.97078	0.5
53.03937	1.0
55.05501	13.8
57.03425	1.2
57.07069	3.5
59.04982	1.6
60.04510	2.5
61.04842	0.5
65.03923	1.4
67.05493	46.4
69.03423	4.8
69.07055	2.1
71.04976	1.7
71.29911	1.2
73.02906	0.5
73.06531	1.2
79.05479	3.8
81.03408	3.0
81.07041	100.0
82.07374	1.1
83.04948	0.7
83.08608	2.8
85.02883	4.2
85.06532	2.7
87.04459	0.6
91.05466	1.6
93.07014	1.9
95.08605	3.4
97.02883	7.1
97.10149	3.1
99.04446	2.3
99.97217	0.5
103.05459	2.3
105.07005	1.1
109.02853	5.2
112.12125	0.4
113.91220	0.5
117.07008	1.2
118.06528	4.9
119.08553	0.6
120.07272	0.9
120.08088	13.1
121.02864	1.2
121.06465	1.1
121.10075	1.1
123.11686	62.2
124.11996	0.9
127.03887	3.4
127.05836	0.8
130.06506	1.1
131.08569	0.8
134.06062	0.5
135.37553	0.5
141.12720	19.3
144.07988	0.5
145.06522	1.2
145.10081	0.9
146.05981	5.5
149.02322	14.3
149.05956	0.8
150.02711	0.7
159.08044	1.0
159.11723	0.8
159.13780	4.7
160.07530	1.1
163.07573	0.8
163.11211	1.2
170.06085	0.6
176.06200	0.8
177.06944	1.0
177.09096	0.5
177.12811	1.2
181.97797	0.5
187.06003	0.7
187.11964	0.7
188.07047	5.1
205.04868	0.9
205.06522	4.9
205.08691	1.8
205.12242	4.5
205.14076	1.1
205.15971	0.8
206.08099	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	205.0491
Annotation	Paniculal
Peak:m/z	Relative Intensity
53.03941	0.5
55.01856	1.9
56.45383	0.4
57.07061	2.8
57.63743	0.4
60.04507	0.9
65.03919	1.0
68.99770	1.5
69.03411	1.6
69.54114	4.9
78.95251	0.5
79.05460	1.9
81.03400	1.4
81.07028	1.6
84.04503	0.6
85.02887	2.0
91.05460	1.1
93.07024	1.7
95.04955	2.9
97.02864	6.5
99.04424	1.5
103.05446	15.2
105.06996	1.1
107.04934	17.0
108.05203	0.4
109.02872	5.1
111.04403	0.5
113.03851	0.6
113.96369	0.5
114.45272	0.4
115.05414	0.5
117.07030	0.6
118.06504	1.7
119.08584	0.8
121.02830	5.8
121.06484	7.1
121.10102	1.0
127.03908	1.9
127.05846	0.8
130.06497	0.9
131.04907	40.6
132.05292	0.9
132.08012	0.5
133.06459	0.5
135.04375	4.1
141.03343	3.3
144.08080	0.9
145.02797	0.5
145.04976	0.6
145.10104	0.7
146.06001	2.8
149.02321	21.5
149.05954	22.8
150.06282	0.6
159.04395	9.4
159.08022	0.5
163.11050	0.5
170.05882	0.8
176.04660	1.5
177.05438	100.0
177.12669	1.3
178.05779	1.8
181.97876	0.9
186.48495	0.5
187.05075	15.0
188.05525	0.5
188.06998	2.7
205.04929	85.0
205.08894	1.8
205.12231	1.8
205.14149	1.6
205.15872	1.4
206.05287	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	205.122
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.66793	0.2
51.02353	0.3
53.03935	3.1
53.32178	0.3
55.01860	0.9
55.05501	0.4
57.03432	0.3
57.07068	2.0
60.04510	1.1
61.02899	0.5
61.04844	0.5
65.03927	0.8
66.46304	0.3
67.05497	0.7
68.55285	0.3
69.03429	2.2
69.07054	0.5
69.61777	3.0
71.04979	0.6
73.02883	0.5
77.03930	0.6
79.05473	0.9
81.03397	2.2
81.07034	0.6
83.04948	0.6
84.04501	0.3
85.02881	2.5
85.06511	0.7
87.04443	0.3
89.84004	0.3
91.05462	16.0
93.07027	57.9
94.07365	0.9
95.04956	6.6
95.08592	0.3
96.04474	0.3
97.02877	4.2
98.03194	0.5
98.21466	0.5
99.04430	1.3
103.05458	2.3
105.04505	1.0
105.06987	2.5
107.08564	1.1
109.02851	2.6
109.06532	0.4
113.03743	0.3
114.05555	0.3
115.05496	0.4
117.07000	1.3
118.06533	3.0
119.08569	1.4
121.02897	1.1
121.06484	100.0
121.10142	1.0
122.06815	1.9
127.03888	1.5
127.07539	0.4
130.06528	0.6
130.07759	0.3
131.04875	0.4
131.08533	1.4
132.04433	0.6
132.08081	0.7
133.06569	0.4
133.10097	0.7
135.08054	1.1
135.11661	0.9
144.08070	1.5
144.09297	0.7
145.06476	0.8
145.10091	1.1
146.05983	5.7
147.08022	0.4
149.02322	12.3
149.05942	0.4
149.09665	0.5
159.08002	0.6
159.09224	0.6
159.11661	4.3
160.07579	0.7
163.11160	1.0
170.05992	0.7
172.08868	0.4
175.07610	0.4
177.09074	0.3
177.12782	1.7
178.04982	1.7
179.63202	0.3
181.97868	0.4
187.05936	0.4
187.11203	1.2
188.07057	6.2
205.04895	0.8
205.08769	1.3
205.12207	19.4
206.04480	1.1
206.08110	0.6
206.12506	0.5
208.25409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0491
Annotation	1,2-Dihydroxy-8-carboxynaphthalene
Peak:m/z	Relative Intensity
53.03938	1.1
55.01860	1.6
55.05498	0.6
56.96561	1.1
57.03433	1.0
57.07067	5.6
60.04516	2.6
60.40852	0.5
61.04840	0.8
65.03918	2.2
66.98473	0.6
67.05488	0.6
68.05003	0.8
69.03426	2.7
69.07047	1.3
69.97968	3.6
71.04969	0.9
72.93787	0.6
77.03925	0.9
79.05471	0.9
79.84714	0.5
81.03403	4.0
81.07054	1.7
84.04495	1.2
84.96059	0.6
85.02877	3.1
85.04816	1.2
87.04464	0.7
91.05460	2.0
93.03384	0.7
93.07029	3.4
95.04956	2.0
95.08591	2.1
96.04485	0.6
97.02877	13.5
97.04823	0.6
97.39363	0.5
99.04462	2.8
103.05448	27.8
105.07005	2.2
107.04913	2.7
107.08583	1.5
109.02856	9.5
111.04433	0.9
113.96413	0.8
114.05466	0.7
115.05431	1.9
116.05322	0.5
118.06524	3.4
119.08559	1.8
121.02833	4.5
121.04043	0.6
121.06450	3.0
121.10120	2.8
123.11668	0.7
126.05508	0.5
127.03870	2.6
127.05856	2.1
128.07024	0.9
130.06528	1.5
131.04903	48.7
131.08542	1.4
131.97409	0.8
132.05249	0.7
132.08069	1.0
135.04343	0.8
135.07999	0.9
135.11664	1.4
139.03883	0.9
143.04897	0.8
144.08078	1.4
145.04921	0.6
145.10094	1.8
146.05974	5.5
147.11638	0.7
149.02307	38.5
149.05951	5.8
149.09648	1.3
159.04382	100.0
159.11711	2.1
160.04758	2.4
160.07582	0.7
161.05937	1.2
163.07518	0.6
163.11255	1.2
169.02809	0.9
170.06003	0.9
177.05438	22.7
177.12666	2.2
177.16335	0.6
181.97798	1.6
187.03854	84.1
187.14777	1.8
188.04222	1.7
188.07014	5.7
190.04951	0.5
205.04918	95.6
205.08752	3.6
205.12444	4.0
205.14125	2.6
205.15691	4.5
206.05273	2.1
206.08051	1.3
224.96347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0491
Annotation	Droserone
Peak:m/z	Relative Intensity
51.02382	0.4
53.03935	1.1
55.01864	1.9
56.96555	0.8
57.07066	3.2
60.04518	1.3
61.04837	0.6
65.03931	1.0
68.99778	0.9
69.03419	1.0
71.20280	1.0
77.03910	0.5
79.05473	1.8
81.03394	1.3
81.07041	1.0
83.04942	0.5
84.04494	0.6
85.02881	1.9
85.04842	0.7
89.63467	0.4
91.05470	1.0
93.07006	1.8
95.04956	3.1
97.02872	5.5
99.04435	1.4
103.05447	15.7
105.06995	1.0
107.04939	18.7
107.08583	0.7
109.02870	4.0
115.05463	0.7
117.03381	0.6
117.06971	0.8
118.06536	1.5
121.02842	4.7
121.06477	6.2
121.10139	0.7
127.03888	1.5
127.05885	0.8
130.06532	0.9
131.04906	37.0
131.97423	0.5
133.06435	0.6
135.04407	5.0
139.03856	0.8
141.03328	2.8
143.04901	0.7
145.10091	0.9
146.06017	2.6
149.02316	17.2
149.05949	22.2
159.04387	11.4
159.11650	0.5
160.05035	0.6
163.03847	0.8
163.11136	0.6
167.03485	0.5
176.04694	0.9
177.05438	100.0
178.05762	2.0
181.97844	0.7
187.03796	4.4
187.05182	15.0
187.07489	0.7
187.14822	0.5
188.07050	2.7
190.11884	0.6
205.04924	86.2
205.12161	2.0
205.14111	1.3
205.15901	0.8
206.05234	2.1
206.08025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01860	1.1
55.05492	0.6
56.96547	1.9
57.03413	0.8
57.07067	4.6
60.04511	1.6
61.02929	0.5
65.03922	1.2
67.56782	0.4
69.03413	1.5
69.07034	1.3
71.04964	0.4
76.97821	0.4
77.03925	0.6
79.05478	0.6
81.03409	2.4
81.07046	0.9
84.04482	1.0
84.96010	1.0
85.02888	2.7
85.04813	0.9
87.04462	0.4
91.05453	0.9
93.03382	0.7
93.07030	1.4
95.04949	1.2
95.08603	0.5
97.02876	8.7
98.03214	0.5
98.20632	0.9
99.04422	2.5
102.04643	0.4
103.05450	23.5
104.05771	0.6
105.06976	0.9
107.08584	1.3
109.02859	7.8
109.10138	0.8
111.04482	0.4
113.03886	0.4
113.96396	0.5
115.05452	1.5
117.06971	0.4
118.04126	0.7
118.06503	1.5
119.08578	0.8
121.02850	4.2
121.06522	2.5
121.10086	0.9
127.03902	2.9
127.05849	1.7
128.07037	0.4
128.22876	0.4
130.06499	1.1
131.04909	42.2
131.08548	0.6
132.05290	0.7
135.08003	0.4
135.11650	0.6
137.06029	0.5
139.03876	0.9
143.04881	1.2
143.99684	0.5
145.06618	0.4
145.10085	1.4
146.05965	1.5
147.08000	0.7
147.11674	0.4
149.02318	30.4
149.05948	3.3
149.08243	0.8
151.58562	1.1
158.01248	0.5
158.96294	0.5
159.04390	100.0
159.11684	0.7
160.04720	2.7
160.07487	0.7
160.59068	0.5
161.05971	0.7
163.11165	1.1
167.03363	1.0
169.02841	0.8
171.05446	0.5
177.05431	11.5
177.12715	1.6
181.97844	0.6
187.03874	85.5
188.04181	2.5
188.06967	2.2
190.04973	0.5
205.04933	90.1
205.08766	2.4
205.12218	2.8
205.14116	2.8
205.15889	1.2
206.05368	2.6
206.08078	1.0
217.32431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0492
Annotation	1,2-Dihydroxy-8-carboxynaphthalene
Peak:m/z	Relative Intensity
51.02376	0.6
53.03942	0.9
55.01861	1.5
55.05496	0.5
57.07058	7.4
60.04511	2.8
61.04852	0.7
65.03934	1.8
67.05499	1.1
69.03410	2.6
69.07059	0.7
71.04991	0.7
71.78912	0.6
72.93733	0.6
73.53108	0.5
74.53429	0.5
77.03912	0.8
78.95243	0.7
79.05479	1.0
81.03394	4.3
81.07037	1.5
83.46404	0.5
83.52689	0.5
84.04488	1.1
85.02878	3.3
85.04842	0.6
87.04440	1.3
91.05469	1.4
93.03328	0.5
93.07021	2.0
95.04961	1.3
95.08585	1.8
97.02869	13.3
97.04800	0.9
99.04451	3.1
100.07577	0.5
102.04729	0.5
103.05447	29.8
105.07034	1.3
106.06571	0.5
107.08558	1.6
109.02853	9.7
109.06536	0.7
109.10125	0.6
111.04432	0.9
115.05409	1.9
116.05322	0.7
117.07005	1.5
118.04144	0.8
118.06530	3.6
119.02047	0.5
119.08572	1.2
121.02842	5.3
121.03687	0.7
121.06492	2.4
121.10120	1.8
123.11695	2.3
126.05466	0.6
127.03909	3.5
127.05831	1.4
130.06520	1.3
131.04904	47.4
131.08514	1.1
131.97343	0.7
132.08101	1.4
133.10091	0.8
135.08049	0.8
135.11676	1.5
139.03893	0.7
143.04913	1.1
144.08167	1.2
144.09276	0.7
145.04979	0.7
145.06650	1.2
145.10107	1.6
146.05998	5.8
147.08006	0.8
147.11658	0.6
149.02315	45.0
149.05928	3.9
149.13226	1.0
158.96246	0.5
159.04387	100.0
159.11682	1.6
160.04764	2.1
160.07555	1.2
161.05974	1.6
162.10323	0.7
163.11168	0.9
163.96767	0.8
167.03436	1.1
169.02751	0.8
170.06088	0.7
171.05478	0.7
177.05440	11.5
177.06950	1.0
177.12729	2.0
181.97890	1.2
187.03870	87.7
187.11876	1.2
188.04221	2.1
188.07040	7.5
190.11916	0.6
205.04924	98.9
205.08829	2.4
205.12212	5.5
205.14130	3.4
205.15863	2.5
205.19443	0.6
206.05325	1.0
206.08127	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0491
Annotation	Paniculal
Peak:m/z	Relative Intensity
53.03934	1.0
55.01852	1.3
57.07051	2.3
60.04520	1.0
65.03913	0.5
67.05489	0.5
68.99784	1.0
69.03423	0.6
78.77188	0.4
79.05473	2.1
81.03400	1.3
81.07030	0.7
84.04475	0.4
85.02888	1.2
85.04837	0.6
91.05482	1.2
93.06995	1.4
95.04944	2.9
95.08579	0.6
97.02875	5.1
97.04769	0.4
98.20690	0.8
99.04432	1.4
103.05447	14.7
105.01707	0.4
105.07014	1.3
107.04936	17.7
109.02879	3.2
109.69446	0.4
113.03926	0.6
114.67269	0.5
117.03368	0.7
118.06498	1.0
121.02858	5.3
121.06481	6.4
121.10134	0.6
127.03911	1.1
127.05833	0.5
131.04907	34.9
132.05177	0.6
135.04398	5.3
137.94936	0.5
141.03369	3.1
145.02792	0.5
145.10112	0.8
146.06003	1.8
149.02313	15.4
149.05957	21.4
150.02625	0.5
159.04381	8.0
160.05133	1.3
163.03944	0.5
163.11137	0.6
174.16618	0.4
176.04675	0.5
177.05444	100.0
177.12701	1.0
178.05830	2.7
187.05016	16.0
188.07069	2.0
205.04927	81.7
205.12228	1.3
205.13942	0.8
205.15904	1.0
206.05278	2.7
206.08109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.7
54.48403	2.8
55.05506	18.6
56.05017	4.9
56.96555	19.3
57.03423	4.4
57.07052	7.1
60.04515	96.0
61.02905	5.6
65.00793	3.9
67.05490	5.7
67.51043	4.8
68.05017	22.9
69.07058	34.2
69.78515	6.2
69.78926	14.6
70.06580	4.7
71.08598	6.5
76.51569	5.5
79.05499	4.4
80.04953	3.1
81.07037	10.9
82.22814	3.5
83.01312	2.8
83.04948	3.5
83.08599	14.8
84.04490	72.2
85.02886	16.2
91.05464	9.2
93.07012	9.7
95.08591	16.2
96.04466	29.5
97.02888	36.8
97.10185	16.5
97.99167	2.7
98.06033	5.7
99.04425	7.2
100.07578	5.1
105.07020	20.0
107.08565	10.7
109.10134	9.0
110.06034	6.6
111.11729	6.4
114.05511	36.1
119.08540	18.1
120.96535	4.1
121.06413	4.1
121.10113	7.5
123.11657	3.1
126.04595	6.2
126.05491	100.0
127.03906	8.3
130.06491	5.2
133.10136	15.5
138.05476	7.4
139.08804	3.6
142.07767	4.0
143.08493	5.0
144.06551	22.3
145.04970	3.8
145.10117	5.8
147.04373	5.1
147.11641	15.8
148.09351	7.7
150.59584	3.3
156.06573	4.0
157.07607	6.2
157.09993	13.1
159.60112	9.2
161.09613	3.7
161.13235	5.7
168.06520	12.5
175.11272	3.0
179.97900	3.1
185.13249	5.4
186.07555	11.6
188.10640	3.8
189.11462	6.0
203.03325	5.9
203.06763	4.2
203.08464	5.2
203.10690	13.6
203.14377	19.5
203.17924	31.9
204.06711	6.0
204.08629	69.1
204.13808	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03937	1.9
55.05494	7.3
56.05011	1.9
57.07067	8.3
58.07376	1.5
60.04515	38.2
61.02905	1.5
62.06077	2.1
63.06392	1.5
63.88381	1.1
67.05492	13.7
68.05027	5.6
69.03408	1.9
69.07053	13.6
70.02222	1.2
70.06566	1.9
71.04978	1.2
75.56467	1.3
79.05477	6.9
81.06586	2.0
81.07040	28.9
81.32668	1.1
83.04964	1.5
83.08583	4.3
84.04491	20.4
85.02869	5.1
91.05456	13.0
93.07021	8.5
95.04985	1.7
95.08587	37.0
96.04471	11.9
97.02876	11.8
97.10123	1.6
98.06035	3.1
105.07012	100.0
106.07313	1.4
107.08566	17.8
109.10137	31.0
110.06009	3.3
114.05502	14.8
117.06963	2.8
119.08554	53.5
120.96458	2.9
121.10112	15.1
123.11652	7.8
126.05490	25.4
127.03939	2.2
130.06485	2.1
131.08516	4.7
133.10104	52.7
134.10481	1.3
135.11636	4.1
138.05482	3.9
143.08609	1.6
144.06526	6.0
145.10130	7.0
147.04370	4.1
147.11658	70.4
157.07646	1.8
157.10120	3.2
158.05995	1.5
159.11646	3.4
160.12465	2.7
161.13248	24.0
168.06525	3.2
175.07562	2.2
175.11176	1.2
175.14803	14.9
179.97784	2.5
185.09596	1.7
185.13289	2.3
185.20895	2.0
186.07579	4.1
188.08224	1.3
189.11374	1.8
194.57867	1.3
203.03371	6.9
203.05154	1.8
203.06938	3.6
203.08647	1.7
203.10696	8.2
203.14520	7.0
203.17920	94.3
203.21960	27.7
204.06728	2.2
204.08621	19.2
204.10503	1.4
204.13800	13.1
204.18288	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.44290	1.0
52.46201	1.1
53.55377	1.1
54.63580	0.9
55.05485	4.7
57.07050	2.9
64.59881	1.1
67.05489	11.8
69.07058	13.5
71.50976	2.5
79.05470	4.3
81.07040	30.6
81.32060	1.1
82.24200	1.0
83.08597	4.3
84.04469	1.8
91.05472	9.2
93.07024	10.1
95.08585	28.1
104.44713	1.1
105.07009	58.0
107.08578	15.4
109.10139	39.5
109.20842	1.0
117.07000	2.3
119.08560	56.8
121.10119	12.3
123.11687	45.3
123.12389	0.8
123.12598	1.5
126.05463	1.8
131.08534	3.2
133.10104	31.3
135.11644	2.6
145.10068	3.2
147.11656	51.7
148.12122	1.1
159.11742	1.6
160.12457	2.8
161.13237	15.5
173.13292	1.2
175.14854	5.0
187.93129	1.1
203.17917	100.0
204.18236	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05494	7.8
57.07052	4.6
57.92633	1.1
67.05497	15.3
69.07059	13.6
69.68316	8.2
69.68732	2.1
79.05460	7.5
81.07041	48.2
83.08602	5.3
84.04482	1.6
91.05463	13.4
92.20412	1.1
93.07017	14.9
95.08593	49.2
97.10151	1.5
98.20687	2.4
98.86110	1.0
105.07014	82.5
107.08576	22.5
109.10140	36.5
117.06963	1.9
119.08566	48.4
121.10150	15.0
123.11697	10.0
131.08537	4.2
133.10110	50.4
135.11670	3.2
145.10132	7.6
147.11664	72.4
159.11681	2.9
160.12442	2.5
161.13232	20.9
174.14070	1.6
175.14810	15.0
203.17923	100.0
204.18250	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.85789	0.7
55.05497	7.2
57.07047	3.3
67.05182	1.1
67.05496	15.3
68.04986	1.1
69.06732	0.9
69.07056	13.0
79.05470	6.4
81.06596	1.7
81.07045	29.2
83.08591	4.3
84.04501	3.8
84.04931	0.9
91.05462	11.6
93.07030	14.4
93.92628	0.8
95.04933	1.3
95.08591	33.7
97.10140	1.0
98.21400	2.4
105.07013	75.4
106.07337	1.0
107.08567	18.3
109.10137	36.5
114.05489	1.2
117.07007	1.3
119.08560	59.2
121.10130	13.0
123.11679	29.0
126.05473	2.4
129.06970	0.9
131.08521	3.4
133.10100	41.1
135.11678	4.2
145.10109	6.0
147.11661	59.9
148.11984	0.9
159.11667	1.7
160.12469	3.0
161.13229	20.5
174.14027	1.0
175.14781	7.9
179.97745	0.9
180.21063	0.7
203.17920	100.0
204.06450	0.8
204.08446	1.9
204.18190	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.60961	1.3
51.74781	1.1
53.03925	1.2
55.05502	8.5
57.07055	1.7
57.20821	1.0
60.04499	4.0
65.03918	1.4
67.05165	2.1
67.05492	18.1
69.07059	11.9
79.05482	10.0
81.06593	1.6
81.07044	25.1
83.08610	4.5
84.04484	5.0
91.05461	24.2
91.57852	1.0
93.07030	17.3
95.08593	43.1
96.04494	2.6
97.02876	1.6
105.07013	58.5
107.07890	2.2
107.08576	23.2
109.10145	40.8
114.05513	1.4
117.06922	2.1
119.08562	41.0
121.10126	25.9
123.11692	19.5
126.05528	7.7
131.08612	1.5
133.10110	30.8
135.11649	4.4
138.05504	1.3
145.10104	4.7
147.11667	100.0
159.11763	1.8
160.12463	2.0
161.13246	17.1
166.32907	1.3
175.14787	6.0
183.97121	1.3
200.30453	1.2
203.06821	1.3
203.17926	95.0
204.08630	3.2
204.13737	2.0
204.18304	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03921	0.8
55.05505	4.3
57.07076	0.9
60.04512	1.5
60.10381	0.6
67.05493	13.5
67.05843	1.4
69.07054	5.3
69.62770	2.7
69.63200	2.9
79.05479	6.1
81.07043	21.0
83.08591	1.9
84.04495	1.2
91.05464	9.6
93.07024	20.4
95.04926	1.0
95.08589	52.2
97.10143	0.9
105.07014	36.9
107.08575	32.2
107.09308	1.3
109.10136	36.7
119.08558	26.7
121.10121	14.1
123.11668	6.3
125.96807	0.6
126.05482	1.6
133.10107	19.4
135.11662	2.3
145.10121	1.5
147.11664	40.2
159.11705	0.7
161.11874	0.9
161.13229	18.3
170.02173	0.6
175.14798	8.1
190.53227	0.6
203.17918	100.0
204.08525	0.8
204.18289	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03927	1.0
55.05503	6.9
57.07074	4.4
60.04499	2.0
65.03930	0.9
67.05494	15.0
69.07058	13.3
70.16788	0.7
70.99261	2.1
70.99608	0.8
71.08630	0.7
79.05486	7.0
81.07043	31.5
83.08621	5.3
84.04472	1.4
91.05466	14.7
93.07031	16.0
95.08591	43.4
97.10143	1.4
105.07016	94.0
107.07896	1.5
107.08578	23.0
109.10141	36.8
114.05507	0.8
117.06930	1.4
119.08564	46.2
121.10123	17.1
123.11684	8.9
126.05505	1.8
131.08528	2.9
133.10112	40.5
135.11652	4.2
142.50522	0.8
145.10152	4.8
147.11665	75.9
148.12019	1.4
159.11694	1.5
160.12473	1.7
161.13237	27.6
175.14806	11.6
203.17924	100.0
204.08638	1.9
204.13795	0.9
204.18213	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
54.05903	0.6
55.05494	5.2
57.07047	1.8
60.04500	2.8
64.76078	0.7
67.05493	10.1
69.07056	15.7
71.03516	1.1
71.03827	1.1
71.28305	0.8
77.30784	0.6
79.05478	7.0
81.07040	27.7
83.08588	3.2
84.04476	2.9
91.04906	1.0
91.05461	15.1
93.07024	15.2
94.34973	0.6
95.04964	0.8
95.08591	28.2
96.04475	1.3
96.35934	0.7
97.02847	1.2
97.10155	1.1
105.07011	47.9
107.08566	16.4
109.10135	25.8
114.05510	1.2
115.88952	0.6
117.07000	1.9
119.08561	44.4
121.10121	13.8
123.11691	6.9
126.05481	3.4
127.35487	0.7
131.08556	3.8
133.10103	36.1
135.11668	3.9
144.06549	1.2
145.10063	7.3
147.11659	74.8
148.12056	1.1
159.11653	2.7
160.12466	6.5
161.13231	21.4
165.82094	0.8
168.06535	0.9
175.14838	3.8
193.96317	0.6
195.22334	0.6
203.17912	100.0
204.08652	2.7
204.18251	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.23240	0.8
55.05499	4.3
57.07053	3.7
60.04522	1.2
67.05167	1.3
67.05495	13.6
69.07056	11.5
71.60072	1.1
71.60399	1.4
73.05518	0.7
79.05480	8.2
81.07045	28.8
83.08609	4.2
84.04491	1.5
91.05473	13.6
93.06498	1.1
93.07037	18.9
95.04958	0.9
95.08594	47.0
97.10138	1.0
105.07018	71.5
107.08574	25.4
109.10141	30.2
119.08566	36.2
121.09252	1.1
121.10133	21.7
123.11690	6.3
126.05490	2.7
131.08592	1.4
133.10110	44.0
133.40767	1.0
135.11682	4.1
145.10080	2.4
147.11664	58.4
159.11661	2.0
160.12494	1.6
161.13249	18.7
162.33316	0.7
174.13943	1.0
175.14801	11.6
180.56935	0.9
203.17929	100.0
204.08623	1.8
204.13835	1.0
204.18340	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	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.16913	0.7
53.03929	1.1
55.01841	0.8
55.05495	7.1
57.07063	5.0
57.75401	0.8
58.03693	0.7
60.04512	18.0
62.49723	0.7
67.05487	12.6
68.04998	3.8
69.07051	10.9
70.66069	2.1
70.66435	1.4
79.05473	7.8
81.07038	24.9
83.04977	0.9
83.08597	3.8
84.04486	12.5
85.02870	2.8
91.05459	15.9
93.06487	1.3
93.07022	13.0
95.08590	35.8
96.04460	5.3
97.02854	7.1
98.06033	2.6
99.04459	1.1
100.07591	1.7
103.05482	0.8
105.07006	69.9
107.07898	1.3
107.08572	19.8
109.06580	0.9
109.10136	32.1
110.06017	2.0
114.05501	7.7
117.06986	1.5
119.08559	33.5
119.10899	0.9
120.96474	1.4
121.06492	1.1
121.10112	14.5
123.11671	5.6
126.05492	22.5
127.03889	1.4
131.08543	2.5
133.10098	35.6
135.11649	2.6
138.05479	2.3
138.11717	0.9
142.07770	1.3
143.08556	0.9
144.06523	5.4
145.10069	3.2
147.04381	1.1
147.07973	1.4
147.11658	70.7
157.10443	1.0
159.11674	2.6
160.12479	1.2
161.09578	1.5
161.11862	1.4
161.13222	24.1
168.06540	2.5
175.14807	8.5
179.97816	1.2
185.13268	1.0
186.07605	2.0
189.06152	1.0
189.11470	1.3
203.03352	1.1
203.06889	1.6
203.10742	3.4
203.14255	3.7
203.17909	100.0
204.06735	1.6
204.08604	17.1
204.13791	6.6
204.18243	2.2
221.80946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
54.71795	1.2
55.05503	7.4
57.07050	5.4
60.04221	1.7
60.04514	26.3
67.05495	13.1
68.05006	2.8
69.07059	15.2
70.06520	2.1
71.14594	3.3
77.03910	1.3
79.05477	7.0
81.06595	2.4
81.07043	35.2
83.08587	4.1
84.04496	8.9
85.02882	3.5
91.05472	13.3
93.07033	11.8
95.08595	35.9
96.04458	5.7
97.02882	7.5
97.10146	1.9
98.21438	1.6
105.07015	86.8
107.08578	19.9
109.10133	32.8
114.05524	8.0
117.07002	3.2
119.08558	57.6
120.96508	1.7
121.10130	16.4
123.11674	12.5
126.05481	13.4
127.03869	1.7
130.06560	1.7
131.08517	4.8
131.96568	1.3
133.10107	46.4
135.11646	3.9
138.05486	1.5
139.41898	1.3
143.08514	1.4
144.06557	3.3
145.04906	1.7
145.10088	8.1
147.04401	2.3
147.08008	1.6
147.11655	68.4
148.12157	1.5
157.10075	3.0
159.11694	3.4
160.12422	2.8
161.09575	2.0
161.13242	22.5
168.06525	1.8
175.14813	8.6
179.97850	1.5
185.13162	1.6
186.07590	1.4
189.11443	1.5
202.07794	6.0
203.03380	2.0
203.05263	2.5
203.06953	3.6
203.08478	23.0
203.10652	6.2
203.14247	4.8
203.17918	100.0
204.06885	2.2
204.08620	13.9
204.13803	6.2
204.18155	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05503	9.2
56.05020	2.6
57.16435	1.8
60.04522	10.8
66.56196	1.9
67.05497	22.4
67.52585	1.9
67.80184	1.8
68.04999	6.9
69.03413	3.2
69.07056	14.7
75.25938	2.2
79.05477	9.7
81.03394	2.5
81.06587	3.5
81.07038	39.3
82.77326	2.0
83.08588	4.3
84.04491	25.6
85.02889	4.5
89.41034	1.9
91.05473	23.5
93.07020	20.6
93.78413	2.0
95.08588	37.3
96.04482	9.4
97.02866	9.5
97.10130	2.3
97.32967	2.0
98.06042	3.7
105.07006	59.6
105.07712	4.2
107.08572	25.9
109.10137	72.3
110.06042	3.7
114.05513	9.6
117.07005	3.3
119.08569	44.6
120.05508	2.1
121.10133	26.6
121.96593	7.6
123.11682	36.9
126.05499	37.2
131.08531	2.6
133.10098	36.4
134.31548	1.8
135.06590	2.5
135.11653	4.5
136.08675	3.0
138.05472	4.4
144.06555	8.0
144.98199	2.2
145.04895	2.2
145.10080	5.5
147.11661	74.6
159.11690	2.8
161.08269	2.5
161.13246	16.9
168.06546	4.5
174.13983	1.9
175.14836	9.5
186.07645	3.5
203.10466	8.2
203.14278	4.0
203.17926	100.0
204.06734	3.0
204.08572	20.9
204.13893	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	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13453	0.6
57.93551	1.1
71.81941	1.0
82.99796	0.8
90.97084	0.6
94.05951	0.6
94.29063	0.6
95.62715	0.7
100.02461	0.9
101.00855	13.5
114.09119	0.9
114.24494	0.6
114.95647	2.2
118.96724	0.9
119.01902	100.0
120.02007	2.1
120.96534	0.8
124.02419	1.6
132.96675	2.5
133.82880	0.7
137.02939	45.5
138.03087	1.0
142.03477	36.3
156.10150	1.0
160.04536	17.7
161.02939	20.8
165.05115	1.2
178.05576	1.3
178.96008	1.5
179.03989	52.3
184.04570	1.6
202.05560	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	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05309	0.7
55.05505	6.6
56.05019	0.7
57.07067	3.9
60.04493	2.7
67.05183	0.9
67.05497	13.7
68.05014	1.2
69.07056	11.8
69.65537	7.5
78.50439	0.8
79.05485	6.6
80.03432	0.8
81.07045	45.5
81.64923	0.8
83.08621	3.7
84.04493	7.5
85.02888	1.0
91.05467	12.6
93.07025	11.4
95.08592	43.1
96.04495	1.6
97.02859	3.0
98.20661	1.4
105.07015	78.0
106.71004	0.9
107.08575	21.2
109.10138	32.7
114.05504	1.1
117.07012	2.1
118.96585	0.9
119.08566	46.1
121.10125	15.6
123.11678	10.6
124.96143	0.8
126.05482	9.0
131.08545	3.2
133.10112	52.1
135.11661	3.7
138.05449	1.1
144.06551	1.6
145.10089	4.6
147.11665	64.1
148.12094	0.9
157.10399	0.9
159.11652	2.9
160.12456	4.0
161.13229	20.6
174.13982	0.8
175.14809	13.0
179.97797	1.0
203.10812	1.7
203.17926	100.0
204.06804	0.8
204.08560	4.0
204.10336	0.8
204.13849	1.5
204.18391	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1845
Annotation	ETHYL DECANOATE
Peak:m/z	Relative Intensity
55.05505	10.1
57.03414	3.8
57.07066	74.4
66.56612	0.9
67.05494	25.2
69.06719	1.5
69.07056	13.7
69.82551	6.1
71.04993	4.9
71.08618	100.0
72.08944	1.0
79.05466	1.2
80.28945	0.8
81.07043	54.2
83.08604	10.5
85.06519	2.0
85.10167	57.6
95.08591	62.1
96.08141	1.7
96.08865	1.0
97.10152	7.0
109.10143	9.6
111.11730	1.0
114.09176	1.3
118.96748	5.7
123.11665	3.2
123.12483	0.9
137.13223	9.0
145.10049	1.0
146.43617	0.8
154.96417	1.2
155.14287	49.2
156.10155	1.8
172.97557	0.9
177.98006	5.2
178.40508	0.8
183.17416	35.8
195.66142	1.1
200.99648	1.1
201.16563	1.4
201.18463	6.1
202.10716	2.1
202.33354	0.8
210.93300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1846
Annotation	ETHYL DECANOATE
Peak:m/z	Relative Intensity
55.05502	9.6
57.03425	3.2
57.07067	73.4
67.05498	22.7
69.07052	11.0
70.84197	3.6
71.04975	5.3
71.08620	100.0
81.07044	48.3
81.61059	1.4
83.08613	11.9
85.06527	2.6
85.09656	3.0
85.10169	55.3
87.11088	1.3
95.08596	55.6
96.94053	1.4
97.10168	8.4
98.20908	2.0
99.98710	1.3
100.36279	1.2
101.23726	1.5
106.55412	1.3
109.10141	10.5
111.11686	2.6
114.25172	1.4
137.13237	6.5
142.30867	1.5
155.14287	39.7
183.17424	29.1
201.18513	6.4
212.76729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1845
Annotation	ETHYL DECANOATE
Peak:m/z	Relative Intensity
51.63153	0.9
53.00293	1.2
53.25162	0.8
55.05505	10.6
55.73595	0.7
57.03419	3.5
57.07069	74.8
62.47620	0.8
67.05498	21.2
69.07059	13.7
69.45891	4.6
69.46315	5.6
71.04993	4.4
71.08623	100.0
72.86837	0.8
73.06544	1.2
79.05495	1.3
81.07047	53.1
83.08607	12.6
85.06528	1.7
85.10172	54.7
93.02995	0.8
95.08598	58.8
97.10162	8.1
109.10148	9.4
111.11730	1.7
122.81982	0.8
123.11713	2.9
137.13225	8.2
155.14293	45.0
164.01483	0.9
177.21286	0.8
183.15779	1.9
183.17424	36.4
201.18427	7.0
218.37556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1689
Annotation	Chokol A
Peak:m/z	Relative Intensity
55.01862	11.5
55.05507	9.7
56.05824	0.9
57.03428	1.9
57.07075	5.0
57.93549	0.8
62.10786	0.8
62.40036	0.9
63.44057	0.7
67.05489	21.2
69.07056	33.2
70.07390	1.1
70.84475	1.9
70.84878	1.6
71.04981	2.6
72.04488	0.9
73.02903	100.0
74.03237	0.9
74.09708	7.7
77.27368	0.8
79.05478	8.6
80.22381	0.7
81.07043	21.6
83.04964	12.5
83.08603	7.4
84.66404	0.7
85.06536	3.2
87.08092	1.6
91.03928	2.1
91.05460	2.2
93.06434	0.8
93.07026	14.8
93.07572	1.3
95.04962	1.1
95.08589	45.8
96.08945	1.1
97.06510	4.2
97.10162	2.1
100.07604	3.3
101.05994	11.0
105.06973	1.0
107.08578	13.8
108.08948	0.9
109.10139	7.9
111.04435	1.5
111.08060	6.3
111.11682	3.7
116.97199	6.8
116.98608	1.4
121.10113	12.2
125.09648	1.5
131.99532	1.8
134.99643	1.4
135.11629	4.4
137.13239	12.1
151.14900	0.8
152.96919	2.1
153.12668	1.0
157.97423	1.1
163.14815	7.9
175.98538	6.7
181.12262	0.8
181.15874	6.5
199.07417	1.5
199.11292	1.0
199.14908	1.7
199.16879	4.2
199.18840	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	199.169
Annotation	Chokol A
Peak:m/z	Relative Intensity
52.72614	0.7
55.01863	12.3
55.05500	8.7
57.03428	1.7
57.07069	7.1
57.93528	0.7
59.05001	0.6
61.23842	0.6
65.03919	0.8
67.05497	18.4
69.07058	32.6
70.07406	0.7
70.51400	3.0
71.04984	2.8
71.08617	1.3
72.04507	1.0
73.02905	100.0
74.03270	0.7
74.09698	5.2
79.05487	9.3
81.07043	25.1
82.07368	0.7
83.04964	13.4
83.08599	6.5
85.06532	2.9
87.08117	1.1
91.03944	1.2
91.05462	1.9
93.07027	15.7
93.69341	0.8
95.04979	1.0
95.08591	45.9
97.06512	3.7
97.10169	2.3
98.97559	0.8
100.07605	2.3
101.04139	0.6
101.06008	9.8
105.06990	0.9
107.08579	16.4
109.06538	0.7
109.10135	8.5
111.04423	8.4
111.08072	5.8
111.11712	3.4
111.12375	0.6
114.70995	0.7
116.97196	4.3
116.98624	0.9
121.10123	11.9
123.11729	1.0
125.06013	2.1
125.09641	2.1
131.99579	1.7
135.08078	1.6
135.11671	4.6
137.13231	12.8
145.10106	1.3
152.96948	1.8
153.12759	1.3
157.10178	1.0
163.11118	1.5
163.14813	7.9
175.98511	5.7
179.08641	0.6
181.12152	3.7
181.15840	8.3
199.00182	0.8
199.16933	4.2
199.18877	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	199.169
Annotation	Citronellyl acetate
Peak:m/z	Relative Intensity
53.03934	1.3
55.01851	2.4
55.05503	19.0
57.03428	6.2
57.07062	11.6
59.34931	0.6
67.05499	7.5
69.03408	2.0
69.07057	18.5
69.51675	7.4
70.07400	0.8
71.01348	5.3
71.04970	2.6
71.08620	5.9
72.04491	1.7
72.18375	0.6
73.02908	28.7
74.09711	11.7
77.71858	0.6
79.05479	8.2
81.07045	9.6
83.04969	18.9
83.08604	7.0
85.06547	0.9
85.10174	0.7
87.04422	1.1
91.05465	1.6
93.07033	7.5
95.04994	0.6
95.08585	7.7
97.06522	2.1
97.10145	2.6
100.07604	3.3
101.06002	2.9
107.08604	4.0
109.10144	1.0
115.07545	4.3
116.97200	3.6
121.10120	3.4
129.09064	1.7
152.96935	0.9
170.97891	0.8
175.98486	3.2
199.00270	0.7
199.16911	100.0
199.18819	35.1
200.17322	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	199.169
Annotation	Chokol A
Peak:m/z	Relative Intensity
54.18269	0.7
55.01865	12.7
55.05502	7.4
57.07070	3.8
67.05496	20.6
69.07060	35.1
70.07394	0.7
70.34156	3.0
71.04986	2.6
71.08620	1.0
73.02908	100.0
74.09705	3.7
75.04470	0.6
79.05482	10.8
79.05915	0.9
81.07041	21.6
83.04964	13.9
83.05466	0.7
83.08608	6.3
85.06542	2.8
87.08080	0.8
91.03987	1.6
91.05483	2.1
93.07031	13.1
95.04978	1.0
95.08594	44.5
97.06516	3.9
97.10162	2.1
100.07604	1.1
101.05996	9.2
105.07002	0.8
107.08581	13.1
109.10141	7.0
111.04420	0.7
111.08077	4.6
111.11732	2.1
113.09578	0.7
116.97232	3.5
121.10130	10.3
122.10560	0.6
124.86282	0.6
131.99577	0.6
135.11676	3.5
137.13243	11.1
148.64151	0.7
149.11166	0.7
152.96970	0.9
153.12688	0.8
161.34416	0.7
163.14781	6.1
165.16620	0.7
175.07623	0.6
175.98511	3.6
176.14366	0.7
181.15837	6.9
199.15085	1.2
199.16963	4.6
199.18910	14.0
203.44991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01848	1.8
55.05503	16.6
55.19973	0.5
57.03430	6.0
57.07067	11.2
60.08361	0.4
67.05496	9.1
69.03414	2.0
69.07060	19.2
69.48842	4.8
70.07399	0.6
71.01338	3.7
71.04987	3.0
71.08624	5.4
72.04509	0.7
73.02908	32.8
74.09705	6.7
79.05483	9.0
81.07053	8.4
83.04969	18.5
83.08614	6.1
85.10173	0.9
86.60256	0.5
87.04447	1.8
91.05471	1.6
93.07037	8.1
93.61975	0.4
95.04913	0.6
95.08596	7.6
97.06496	2.2
97.10175	2.5
100.07601	1.3
101.06001	2.6
107.08563	3.7
109.10152	1.0
115.07535	4.4
116.42582	0.4
116.97201	2.1
121.10088	2.9
129.09091	1.8
152.96906	0.8
163.14819	0.5
175.98511	2.0
199.16925	100.0
199.18793	12.7
200.17278	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1689
Annotation	cis-5-dodecenoic acid
Peak:m/z	Relative Intensity
52.96713	0.7
53.03930	1.3
55.01847	1.6
55.05499	17.4
57.03427	6.8
57.06788	0.8
57.07062	12.4
57.61742	0.6
65.90348	0.7
67.05486	8.0
69.03410	2.5
69.07056	21.2
71.01349	5.3
71.04956	2.2
71.08620	6.3
71.23512	1.9
73.02901	38.1
75.14782	0.7
79.05061	1.0
79.05478	9.1
81.06670	0.8
81.07040	10.1
83.04498	1.5
83.04964	20.0
83.08592	6.2
85.06508	0.9
87.04456	1.7
87.91917	0.7
88.20610	0.7
90.85141	0.7
91.05467	1.8
93.07024	8.1
95.04944	0.9
95.08578	7.7
97.06482	3.4
97.10120	2.5
100.41919	0.7
101.05997	2.3
107.08559	4.0
109.10177	0.9
111.08032	0.9
115.07542	6.0
121.10107	3.2
129.09087	1.4
130.74898	0.7
139.40833	0.7
199.16893	100.0
200.17207	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1689
Annotation	Citronellyl acetate
Peak:m/z	Relative Intensity
50.91930	0.4
53.03923	0.8
55.01847	1.8
55.05501	16.0
56.05815	0.6
57.03423	7.1
57.06789	0.7
57.07061	11.9
57.28427	0.5
58.07381	0.5
66.14777	0.5
67.05488	9.0
68.28886	0.5
69.03407	2.1
69.07055	18.6
69.78112	3.0
71.01336	4.5
71.04961	2.1
71.08614	6.4
72.04507	0.7
73.02901	33.5
74.09702	6.2
79.05020	0.6
79.05476	8.3
81.06589	0.8
81.07036	10.4
83.04964	21.4
83.08600	7.3
85.10168	1.5
87.04447	1.6
91.05461	1.8
93.07027	7.2
95.04930	0.7
95.08585	7.4
97.06490	2.9
97.10149	2.1
99.08075	0.5
99.64520	0.5
100.07600	2.2
101.06017	3.0
107.08570	4.0
109.10090	1.0
111.08012	0.7
115.07546	4.6
116.20361	0.5
116.97198	1.8
121.10121	2.7
129.09111	1.1
152.96849	0.5
175.98468	2.3
199.00214	0.9
199.16907	100.0
199.18774	12.7
199.38530	0.5
200.17194	3.2
212.60347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1689
Annotation	Citronellyl acetate
Peak:m/z	Relative Intensity
50.75358	0.8
53.03933	1.4
55.01844	2.4
55.05501	22.5
57.03434	6.7
57.07065	14.7
63.82671	0.8
67.05498	10.0
69.03401	2.3
69.07056	24.1
70.07017	4.2
71.01344	4.3
71.04964	1.9
71.08611	5.8
72.04470	0.8
73.02904	37.6
74.09700	10.5
79.05486	10.3
79.95251	0.8
81.07038	9.9
83.04961	21.0
83.08604	6.9
87.04410	1.7
91.05447	2.4
93.07023	8.3
95.04948	0.9
95.08592	8.3
97.06530	3.9
97.10149	2.5
97.59100	0.7
98.97553	1.6
100.07594	3.4
101.06004	2.3
103.01349	0.8
107.08584	4.5
111.08091	1.3
111.11678	1.2
115.07526	3.9
116.97215	8.0
121.10133	2.3
127.07475	0.9
129.09073	1.6
131.99515	2.3
134.99677	1.0
143.08556	1.1
144.82756	0.8
152.96875	2.4
175.98529	10.0
192.59941	0.8
199.00099	1.8
199.16896	100.0
199.18814	39.1
200.17235	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	198.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
57.03413	0.6
57.07064	0.6
58.06594	0.4
60.08152	25.0
64.01859	0.3
68.05013	5.7
69.03407	0.6
69.07059	1.2
69.98940	1.8
72.08127	0.5
73.02914	0.7
83.08612	1.0
85.02886	1.4
95.06071	100.0
96.06423	0.8
97.02872	0.6
97.10134	0.6
98.21347	0.3
100.02473	0.5
110.07175	0.3
111.05556	1.0
118.03509	0.4
119.01865	0.4
120.03440	0.4
122.07180	0.3
127.03914	0.5
131.01874	0.4
134.06001	0.4
138.05484	0.5
139.04962	0.5
139.05872	0.5
143.01857	0.4
145.04948	0.5
147.01329	0.3
152.07040	1.4
154.13361	32.6
155.13716	0.5
161.02971	0.4
165.08974	0.4
170.02992	0.5
173.02956	0.6
180.06496	0.7
182.08099	1.7
185.02893	0.6
198.05284	0.7
198.07492	0.7
198.12370	11.0
198.18495	21.1
199.10776	0.5
211.50299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56796	0.3
53.03941	3.0
55.01854	1.4
55.05501	4.0
56.05846	0.8
56.96550	0.6
57.03415	0.5
57.07063	1.5
57.93559	3.5
58.07389	0.6
61.01508	0.3
65.03933	3.1
67.05495	3.9
68.36252	0.3
69.03411	0.9
69.07059	8.0
70.07362	0.4
70.69193	1.1
70.69538	0.4
71.01334	0.4
71.04967	0.9
71.08608	0.4
72.04498	1.0
73.02898	2.1
74.09705	8.9
75.94601	2.8
77.03922	0.3
79.05480	1.6
81.03397	0.8
81.07040	1.9
81.99550	0.4
82.06572	0.4
82.87186	0.3
83.04970	1.5
83.08604	3.0
84.08141	0.3
84.08933	0.9
85.02898	0.7
85.06523	0.5
86.06081	0.4
86.09674	0.4
89.06012	0.3
90.96933	0.4
91.05450	1.6
93.03394	0.8
93.07023	1.9
93.95654	1.4
95.04952	26.0
95.08571	1.2
96.05304	0.4
97.02892	2.1
97.06516	1.0
97.10129	0.8
98.96185	1.0
98.97572	1.9
100.07593	2.8
104.83738	0.3
105.04486	1.4
105.07007	0.6
107.04938	0.8
107.08575	1.5
109.02915	0.5
109.06499	0.7
109.10149	0.6
110.03620	1.3
110.91541	0.3
111.04414	3.8
111.08055	0.6
111.11695	2.3
115.07528	0.4
116.97205	41.1
116.98588	2.6
119.04903	0.7
120.02015	0.4
121.02840	2.5
121.10121	0.9
123.04414	13.5
125.02335	10.9
125.05959	0.7
131.99532	10.2
134.95810	2.7
134.99634	4.0
135.08044	0.7
136.07549	0.5
137.05960	1.2
139.03873	1.4
139.07533	0.5
139.98784	1.8
140.04660	100.0
141.05022	1.2
141.80486	0.3
143.08533	0.4
148.96176	3.6
152.96901	15.4
153.00739	0.8
153.05481	0.7
153.09048	0.7
153.96704	0.5
154.06357	0.3
154.08595	0.6
155.01152	0.4
155.07007	18.2
157.97449	3.0
158.99637	0.3
163.03941	0.4
163.07481	0.4
164.07027	0.6
166.02580	0.9
167.03394	1.8
170.97943	3.4
171.11606	0.3
173.08037	2.2
174.99994	0.4
175.98508	40.3
176.98753	0.5
177.00623	0.5
181.04939	5.5
181.08481	0.8
182.08122	3.0
184.03685	0.4
184.07309	0.6
187.04329	0.4
187.54477	0.5
193.99599	1.0
196.40869	0.3
198.18504	0.5
199.00121	2.3
199.04164	0.6
199.05975	2.9
199.07666	0.6
199.10997	0.5
199.16904	3.6
199.18843	39.8
209.54364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1533
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03963	1.0
54.90226	0.9
55.05490	3.7
56.53975	0.9
56.73478	0.7
57.03416	0.8
57.07067	7.1
60.62816	0.7
62.64185	0.7
64.13428	0.7
67.05495	13.8
69.07059	12.7
70.95854	4.3
70.97863	1.5
71.04974	3.0
71.08598	1.1
72.93781	1.8
79.05482	4.7
81.07043	71.4
83.08604	2.2
91.05470	3.0
93.07026	3.1
95.04947	0.9
95.08591	72.3
105.07018	1.8
107.08571	4.1
109.10139	71.7
111.98473	4.8
113.05971	0.9
119.04892	1.2
127.11169	13.1
127.45474	0.8
129.99515	2.6
132.95824	5.6
133.10095	3.2
135.11656	2.8
137.05901	1.0
137.09666	4.7
137.13231	100.0
138.13599	1.1
143.84920	0.8
150.96875	12.1
151.03873	1.6
151.97079	0.8
155.97408	7.4
161.09595	1.0
173.98462	11.5
178.07851	1.0
179.09219	0.9
179.10611	4.4
180.06587	1.0
180.78537	0.7
184.39496	0.8
197.00204	0.8
197.09810	1.3
197.11703	5.0
197.15349	1.6
198.18506	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	197.1534
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
55.01625	2.2
55.01863	25.5
55.05501	20.4
57.03429	100.0
57.07052	4.8
59.04986	4.9
64.63887	1.6
65.03906	2.4
67.05495	56.2
69.03412	3.5
69.07058	14.2
70.71323	1.8
70.71650	4.2
70.95847	15.9
71.01285	1.7
71.04966	6.7
71.08626	7.8
72.93777	8.1
73.02892	3.4
75.04452	2.9
75.25800	1.6
76.60481	1.4
77.47169	1.9
79.05482	35.2
81.07043	47.2
83.04971	18.2
83.08620	9.7
85.06535	11.5
88.96867	2.9
91.05465	18.5
93.07026	18.1
95.04956	5.6
95.08593	35.1
97.06524	11.5
97.10132	5.8
97.91994	1.7
99.08071	6.8
99.10767	1.4
105.07021	20.6
107.08574	41.6
108.22574	1.5
109.06518	11.2
109.10146	22.4
111.04343	1.6
111.08086	7.7
111.98460	14.2
113.09562	2.3
113.96375	2.8
119.08565	21.1
120.83729	2.0
121.10101	8.9
123.08023	5.3
123.11662	6.5
125.05967	1.5
125.08683	2.0
125.09612	40.4
129.99483	7.1
132.95825	17.1
133.10104	19.0
135.11668	10.2
137.05891	2.1
137.09637	3.7
137.13249	10.3
141.12723	2.6
150.96867	46.4
151.03847	2.6
153.01042	1.8
155.97395	19.3
158.18796	1.6
161.09604	2.7
161.13249	24.4
161.14529	2.9
169.10289	1.7
173.98473	41.1
179.10670	8.2
179.14275	17.4
197.00046	4.0
197.05983	2.4
197.09999	1.6
197.11591	9.2
197.15417	14.2
197.17122	2.9
198.18500	76.9
207.89685	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1169
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03932	0.6
55.01866	1.5
55.05499	2.0
57.03415	0.6
57.07084	0.6
61.02911	2.0
67.05489	3.3
69.03415	1.9
69.07043	1.0
69.76153	1.4
69.76570	2.3
70.95855	5.5
71.04967	1.3
72.93773	2.4
73.02894	1.6
77.03899	0.6
79.05479	6.8
81.07040	7.6
83.04957	0.7
83.08592	0.6
87.04478	0.7
88.96874	1.2
90.94828	0.5
91.05457	11.8
93.07028	18.1
95.04946	2.7
95.08584	4.5
97.06512	1.7
103.05460	0.6
105.07007	27.1
107.08573	100.0
108.08907	1.7
109.06492	4.0
109.10133	6.4
111.04465	0.5
111.08031	0.5
111.98458	6.0
112.80329	0.5
113.96366	0.7
115.05384	1.3
117.07008	1.5
118.07784	0.8
119.04899	1.9
119.08565	14.6
121.06494	2.7
121.10126	16.7
122.10458	0.5
123.08032	2.3
123.11692	3.5
125.05975	1.0
125.09600	1.6
128.06206	1.1
129.99469	3.2
130.05324	0.5
131.08517	3.4
132.95822	7.0
133.06454	1.3
133.10103	63.2
134.10432	1.3
135.08047	1.0
135.11659	2.7
137.06001	2.6
137.09593	3.0
139.07512	4.5
141.06924	0.6
141.09091	0.5
143.08524	2.2
146.07207	1.4
149.08449	0.8
149.09584	10.3
150.96861	16.9
151.03862	1.3
151.07510	3.2
151.11154	21.2
154.07735	0.7
155.97391	8.1
161.09592	18.7
162.09915	0.5
167.10645	31.8
168.10971	0.7
168.97865	0.6
169.10075	1.0
173.97040	0.8
173.98460	13.2
174.98720	0.7
179.10641	44.6
180.10986	0.8
197.00043	1.0
197.11687	79.2
198.11984	1.8
198.18472	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	197.1169
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03930	1.0
55.01851	2.9
55.05503	6.8
57.03411	2.2
57.07066	2.4
59.04974	3.5
60.29710	0.9
65.03911	1.1
65.29349	0.9
67.05496	13.3
69.03407	2.1
69.07035	3.6
70.66557	4.0
70.95845	10.4
71.04958	1.8
72.93764	3.9
73.02896	1.3
79.05495	7.1
81.03387	1.0
81.07059	9.7
83.04965	4.5
83.08593	2.5
85.06523	1.1
88.96864	2.4
90.94769	1.3
91.05469	19.4
93.07030	25.2
94.07824	1.1
95.04954	15.7
95.08579	6.9
97.06512	3.0
105.03345	1.5
105.07015	28.5
107.04914	1.4
107.08578	65.1
108.08941	0.9
109.02855	1.0
109.06499	10.5
109.10143	9.6
111.04431	1.3
111.08081	2.0
111.98472	9.1
113.05994	1.1
117.06976	1.8
119.04919	2.6
119.08561	11.4
121.06466	5.6
121.10097	2.6
123.04389	3.2
123.08045	2.3
123.11673	3.6
125.05983	6.6
125.09606	2.3
127.03905	2.8
129.99480	7.1
131.08557	1.6
132.95810	12.3
133.10106	67.1
135.08055	2.5
135.11670	55.0
137.05931	8.5
137.09619	5.8
143.08519	1.0
146.07277	1.9
147.04366	3.3
150.96864	27.6
151.03969	2.1
151.07513	2.3
151.11171	6.1
155.97397	12.4
157.33144	1.0
161.09596	36.8
161.13216	3.2
162.09956	1.5
168.97893	1.5
169.08597	1.3
173.98470	24.9
174.98613	1.0
179.10638	100.0
180.10988	2.1
197.00096	1.6
197.07930	2.6
197.11699	87.2
198.11902	1.4
198.16713	2.0
198.18506	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1169
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.43704	1.1
55.05492	3.9
57.07057	2.3
59.04985	1.8
67.05474	4.0
69.03419	1.5
69.07038	2.1
70.95852	1.5
71.30702	2.5
73.82978	0.9
79.05467	4.3
81.07033	4.6
83.08600	1.3
85.06525	1.4
87.09238	0.9
91.05463	14.1
93.07024	18.9
95.04955	6.7
95.08591	2.5
105.07014	23.4
105.88760	1.1
107.08573	53.7
109.06474	3.3
109.10124	5.2
111.08019	1.6
111.98364	1.5
117.07043	1.2
119.04923	2.7
119.08556	7.5
120.09344	1.4
121.06465	4.8
123.04410	2.4
123.11662	2.9
131.08530	3.0
132.95795	2.4
133.06471	1.4
133.10112	55.2
135.08023	2.1
135.11668	51.6
137.05928	2.9
137.09607	4.0
143.08528	1.3
146.07219	1.4
150.96863	3.8
151.04018	1.1
151.07539	1.2
151.11111	4.8
155.97446	1.9
157.95389	1.2
161.09593	28.3
173.98448	3.7
178.43733	1.2
179.10640	100.0
180.10965	1.9
197.11693	95.9
198.12178	1.2
198.18504	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	197.1169
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03941	1.0
55.01858	7.6
55.05500	13.7
57.03437	0.8
57.07075	1.2
67.05492	6.2
69.03416	2.5
69.07047	2.1
70.95853	5.9
71.04977	1.5
71.40612	1.4
72.93773	2.7
79.05488	4.5
81.07043	24.0
83.04964	2.7
83.08577	1.1
85.06536	1.3
88.96913	1.0
89.86531	0.5
91.05470	5.0
93.07039	7.0
95.04943	2.4
95.08578	3.1
97.06509	5.6
97.10160	0.9
99.04443	6.1
105.03362	1.5
105.07009	8.6
107.04942	1.2
107.07887	1.1
107.08575	14.7
109.06499	10.3
109.10128	8.4
111.04418	2.2
111.98468	6.0
113.05933	0.6
119.04998	0.8
119.08556	5.9
121.06474	2.4
121.10164	1.1
121.75418	0.6
123.04430	1.1
123.08060	1.4
123.11703	1.5
125.05970	64.3
125.09620	0.9
126.06273	1.2
127.03901	23.2
128.06206	1.8
129.99513	3.5
132.95808	6.1
133.10106	15.2
135.08018	1.0
135.11629	4.9
137.05954	100.0
137.09569	12.6
138.06302	1.9
139.07471	0.8
143.08516	4.9
150.96869	15.9
151.03905	2.5
151.07512	1.7
151.11118	3.0
153.08989	0.7
155.97401	7.3
161.09570	13.9
161.13260	0.7
164.03455	0.7
166.53130	0.8
167.10654	1.0
169.10222	0.8
173.98457	16.3
179.10640	28.4
179.14212	1.4
180.10965	0.7
197.00038	1.5
197.05998	0.8
197.07976	1.4
197.11697	28.5
198.18498	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	197.0806
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.03182	0.4
53.03939	0.4
55.01857	1.8
57.03419	0.3
65.03921	1.6
67.05497	1.6
69.07058	0.3
69.79728	2.5
70.95850	4.8
72.93786	1.7
73.02902	21.9
81.07056	0.6
85.02917	0.4
85.72723	0.3
88.96902	0.6
91.03955	0.6
91.05456	2.9
93.03411	0.6
93.07062	0.7
95.04963	1.9
95.08604	1.1
98.20651	0.4
105.06991	0.6
107.08604	1.2
108.02085	1.5
109.02886	0.8
109.06521	0.4
109.10147	0.6
110.03634	2.4
111.04436	2.2
111.98456	4.7
113.96375	0.4
119.04910	2.5
123.04382	0.5
123.08062	0.8
124.97147	0.3
125.05967	18.8
129.99469	2.3
132.95818	5.9
133.02869	0.6
133.10127	1.4
135.11679	0.7
136.01497	0.4
137.05933	1.7
137.09579	0.5
141.05437	4.5
147.04382	5.5
149.05954	3.4
150.96864	12.8
151.03880	100.0
151.04938	6.3
151.07442	4.7
151.97049	0.4
152.04272	0.9
155.97394	6.1
161.09624	1.0
168.98071	0.5
169.10429	0.4
173.98460	11.8
179.07007	23.7
179.10463	1.8
196.99997	0.8
197.06445	0.4
197.08044	10.8
197.09883	0.6
197.11574	1.6
198.18503	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	195.1378
Annotation	4-Hexyloxyphenol
Peak:m/z	Relative Intensity
53.03922	0.2
55.01851	0.5
55.05495	0.6
57.07065	1.5
59.04959	0.2
61.36496	0.1
65.03925	0.2
65.39655	0.1
67.05502	0.8
69.03407	0.2
69.07040	0.5
71.01350	1.4
71.04974	0.2
71.81413	0.2
76.67494	0.2
79.05493	1.0
81.03393	0.4
81.07024	0.7
83.04956	0.4
83.08587	0.4
84.08121	0.2
89.03893	1.1
89.06019	1.7
91.05447	0.7
93.07027	1.1
95.04942	0.6
95.08585	1.1
97.02888	2.0
97.06499	0.4
98.45970	0.2
103.05460	0.2
105.06993	0.2
107.04943	1.3
107.08578	1.1
108.04427	0.2
109.10149	1.5
110.03648	8.1
111.04430	6.0
111.08046	0.6
112.96709	0.2
113.96355	0.2
117.03364	2.5
118.03531	0.4
119.08598	0.2
121.06480	0.4
121.10107	0.8
123.04440	1.3
123.07964	0.2
123.11733	0.2
124.05107	0.2
125.05929	0.2
125.09602	0.4
131.75902	0.2
131.96123	0.5
131.97444	0.4
133.02806	0.9
133.08577	0.4
133.10095	0.3
134.03558	0.4
135.04395	1.3
135.08031	0.4
135.11630	0.6
139.03839	0.2
139.07495	0.5
145.02827	4.7
148.97305	0.6
149.05949	1.6
149.09592	0.4
149.13219	0.7
149.97182	1.3
150.05376	0.2
151.14764	0.2
153.05371	0.2
153.09085	0.3
154.97739	0.3
159.11679	0.2
163.03883	11.1
163.07562	0.4
164.04228	0.4
167.07031	0.4
167.14287	0.5
167.98264	0.2
168.10252	0.2
171.98967	0.5
172.98811	1.2
177.05452	7.7
177.08937	0.2
177.12698	0.4
177.16411	0.5
178.05841	0.3
180.07347	0.3
180.09155	0.2
186.05421	0.3
188.28110	0.2
195.02873	1.2
195.06633	1.9
195.13780	100.0
196.09378	0.2
196.14140	2.5
196.16901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03939	2.4
55.01853	2.9
55.05497	5.6
55.18940	1.0
57.03418	1.7
57.07058	3.5
62.01545	1.0
65.03936	1.8
67.05500	4.8
67.74399	1.0
68.99776	43.0
69.03416	3.4
69.07047	6.8
69.96156	1.1
70.78807	0.8
71.04970	2.2
71.81001	1.8
71.81368	1.0
72.28201	0.8
73.69106	0.8
78.04681	1.1
79.05483	17.0
80.04973	0.9
81.03403	2.6
81.07046	10.2
83.04963	4.4
83.08594	3.8
84.08143	1.8
85.06487	1.2
85.10172	15.4
89.03905	15.9
89.06015	9.0
91.05465	12.2
93.07024	11.4
95.04945	6.9
95.08588	7.1
97.02860	1.0
97.06525	3.9
97.10120	1.0
99.04392	1.2
99.08072	1.9
103.05437	12.2
105.04454	1.2
105.07012	12.3
106.04177	1.2
107.04933	63.9
107.07878	1.8
107.08577	22.7
109.06501	4.3
109.10151	2.9
109.98930	1.0
111.04424	4.1
111.08060	2.7
111.11768	1.1
113.96372	1.7
115.05442	6.5
117.03355	36.6
117.07039	3.0
118.03687	1.3
118.94536	0.9
119.08578	2.5
120.05720	1.3
121.02841	1.6
121.06491	4.4
121.10126	8.4
123.04403	1.4
123.08028	1.0
125.05989	3.9
125.09617	26.0
127.99964	1.1
130.96275	2.0
131.04933	2.3
131.08536	2.5
131.96126	1.7
131.97401	1.5
133.01088	0.9
133.02866	2.7
133.06470	1.1
133.08582	1.3
133.10097	2.3
134.03629	6.0
135.04422	12.3
135.08029	29.4
135.11664	8.1
137.02257	1.3
137.05949	2.6
137.09563	2.0
137.13286	2.1
138.06573	1.5
138.09113	1.3
139.07520	1.5
139.11244	1.2
143.05353	1.1
145.02821	74.7
145.07535	1.3
146.03130	1.7
147.04440	1.3
148.97308	6.6
149.02313	1.1
149.05959	23.3
149.09592	5.2
149.13231	2.9
149.97142	6.3
152.04518	1.0
152.06163	1.9
153.05470	2.0
153.09077	93.6
153.97853	2.5
154.06342	1.3
154.09447	2.1
154.97679	1.1
158.05861	1.3
159.11612	1.4
162.03079	1.5
163.03873	30.9
163.07529	39.0
164.04245	1.1
165.05521	1.1
165.06956	1.7
165.16011	1.0
167.07005	7.4
167.08534	4.5
168.10121	2.3
171.98956	6.4
172.98758	3.0
177.05438	100.0
177.09053	3.8
177.12689	2.8
177.16412	6.6
178.05780	2.9
180.07762	1.9
180.09299	1.4
186.05499	4.0
195.01003	1.9
195.02850	10.4
195.06538	11.1
195.08170	6.0
195.10150	37.1
195.11691	2.0
195.13817	4.0
195.15733	4.4
195.17444	3.2
196.16902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	2,4,5-Trimethoxystyrene
Peak:m/z	Relative Intensity
53.03933	1.5
55.01862	2.1
65.03933	0.6
67.05496	1.9
69.03387	0.7
69.07066	0.8
70.01779	2.2
70.02198	1.0
78.04698	0.8
79.05479	11.7
81.03407	0.8
81.07044	1.8
83.18628	0.5
86.22045	0.6
89.03881	3.6
89.06013	3.0
89.50430	0.5
91.05463	7.5
93.07025	3.0
95.04946	6.8
95.08595	1.7
98.20769	1.0
103.05449	11.0
105.03352	0.8
105.07015	11.1
107.04933	100.0
107.08569	4.3
108.05304	1.0
109.02821	0.6
109.06464	1.2
109.98925	0.8
110.03671	0.6
111.04431	1.2
111.59256	0.6
115.05419	7.3
117.03355	7.3
117.06992	2.6
119.04910	1.0
120.05709	3.3
121.06477	1.9
121.10101	1.4
123.04410	1.7
124.05186	1.6
125.05979	1.7
125.09602	0.6
130.96350	0.8
131.04897	2.3
131.96129	0.7
133.02811	3.4
133.06471	1.6
133.10100	0.7
134.03604	1.3
135.04385	3.4
135.08023	26.7
135.11641	1.2
137.05992	1.5
137.13240	0.7
139.03835	1.5
145.02824	14.5
145.06549	0.6
145.07588	2.0
146.03107	0.8
147.04355	2.7
148.05194	0.7
148.97366	1.5
149.05946	4.7
149.09608	0.8
149.13141	0.5
149.97195	3.2
151.03838	1.1
152.04651	1.7
153.09163	0.6
153.97871	0.7
154.06224	7.3
154.97708	0.7
163.03876	27.2
163.07510	40.2
164.04189	0.9
164.07988	0.8
165.05450	1.2
167.07008	43.2
171.98973	1.3
172.98798	1.5
177.05437	25.4
177.08932	1.0
177.16336	1.0
178.05869	0.8
180.07762	8.2
184.25867	0.6
186.05615	0.6
195.02919	3.4
195.06444	3.6
195.10124	55.4
195.13840	2.2
195.15704	4.6
196.10445	0.7
196.16917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
52.67537	0.3
53.00296	0.6
53.03934	1.1
55.01865	1.0
57.03437	0.5
65.03925	0.5
67.05499	1.0
68.96328	0.4
69.07050	0.5
71.04976	0.4
71.48070	0.7
74.53683	0.3
74.71655	0.3
79.05476	9.2
79.49628	0.3
80.05775	0.3
81.07054	1.6
89.03902	2.3
89.06008	1.0
91.05460	6.2
93.07029	2.1
95.04951	4.5
95.08573	0.5
103.05449	8.0
105.04497	0.9
105.07011	10.5
106.04134	0.4
107.04936	100.0
107.08578	2.4
108.05272	1.3
109.06503	0.8
110.03635	0.3
115.05431	7.4
117.03350	4.5
117.06995	2.8
118.76694	0.3
119.04917	0.4
120.05699	2.6
121.06495	1.0
121.10123	0.7
124.05177	0.6
125.05945	0.8
129.48027	0.4
131.04860	0.7
131.08476	0.4
133.02811	0.6
133.06448	0.7
134.03610	0.6
135.04404	1.3
135.08032	26.3
135.11655	0.7
137.05974	0.6
137.13283	0.5
139.03911	0.5
145.02823	8.5
145.06517	0.5
145.07596	1.1
147.04378	0.9
148.05119	0.5
148.97298	0.6
149.05931	2.2
149.09612	0.5
149.97232	0.4
152.04645	0.7
153.97903	0.5
154.06250	0.9
154.67223	0.4
163.03893	3.3
163.07513	53.2
164.07930	1.0
165.05467	0.6
167.07007	6.3
167.08336	0.3
171.98857	0.5
177.05435	12.7
177.16417	0.6
180.07826	2.1
186.05470	0.4
195.02876	1.5
195.06433	1.4
195.08290	0.8
195.10132	13.5
195.13806	0.6
195.17488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00302	0.8
53.03935	0.5
55.01853	1.8
55.05519	0.5
56.41004	0.4
57.03417	1.1
61.87275	0.3
63.68325	0.4
65.03930	0.7
67.05488	1.0
68.10540	0.4
69.07065	0.6
69.91208	2.4
77.03918	0.5
78.04692	0.6
79.05482	11.2
81.03397	0.5
81.07047	1.4
89.03904	3.3
89.06000	0.7
91.05461	7.5
93.03385	0.8
93.07034	2.8
95.04949	5.1
95.08596	1.1
98.21358	0.5
103.05450	10.4
105.04468	0.7
105.07014	12.7
106.04160	0.7
107.04935	100.0
107.08571	2.2
108.05246	1.5
109.02901	0.5
109.06480	0.8
110.03592	0.6
115.05437	7.8
117.03371	6.1
117.06993	3.0
119.04961	0.8
119.08544	0.4
120.05714	2.9
121.06490	1.5
121.10112	1.2
123.04386	0.8
123.07990	0.5
124.05182	1.5
125.05975	1.2
130.96255	0.7
131.04897	1.2
131.08554	0.5
133.02832	1.0
133.06480	0.7
134.03598	1.4
135.04401	2.0
135.08029	27.2
135.11639	1.2
136.08450	0.5
137.05952	1.2
139.03882	1.6
145.01686	0.8
145.02821	12.1
145.06499	0.7
145.07588	1.3
147.04398	1.8
148.05235	0.5
148.97360	0.6
149.05930	5.2
149.97194	0.6
151.03801	0.7
151.39333	0.4
152.04652	1.0
153.97835	0.6
154.06221	4.8
159.11661	0.4
163.03865	5.0
163.07518	48.4
164.07971	0.6
165.05447	1.1
167.07022	25.9
171.98972	0.8
172.98790	0.6
177.05447	20.7
180.07753	5.5
186.05440	0.5
195.02856	2.2
195.06538	2.2
195.10136	35.6
196.10434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01852	2.1
55.05497	3.3
57.03414	1.0
57.07056	0.9
59.04993	0.8
65.03927	4.7
67.05493	3.6
68.96336	1.3
68.99777	12.0
69.03419	2.2
69.07063	4.4
69.96173	0.7
70.06558	0.8
71.04964	1.5
71.81312	1.1
78.04691	0.9
79.05474	11.6
81.03404	1.7
81.07037	6.7
83.04966	2.3
83.08598	0.7
85.02885	1.0
85.06529	4.8
85.10184	3.7
89.03896	10.0
89.06007	4.4
91.05461	7.8
91.41581	0.6
93.03380	5.4
93.07028	8.6
95.04955	5.6
95.08595	5.9
97.06510	2.0
97.10163	0.8
99.04406	0.8
99.08075	1.5
103.05448	22.6
103.06139	1.1
105.04459	0.8
105.07005	12.6
106.04115	0.9
107.04937	33.8
107.08572	16.0
109.02872	1.8
109.06490	2.6
109.10146	2.3
109.98907	1.5
111.04425	6.3
111.08047	1.7
113.96416	0.7
115.05434	3.5
117.03359	19.0
117.06985	1.9
119.08566	1.3
120.05704	2.3
121.02850	0.9
121.06510	4.6
121.10120	6.4
121.59882	0.7
123.04421	1.0
123.08072	0.9
124.05202	2.1
125.05954	2.2
125.09608	9.1
130.96288	1.0
131.04884	4.3
131.08586	1.5
131.96123	2.1
131.97304	0.6
133.02858	0.7
133.06458	1.2
133.08545	1.2
134.03615	2.8
135.04401	8.9
135.08026	26.0
135.11656	6.8
137.05965	0.9
137.13206	1.1
138.06575	1.1
139.03871	24.6
145.02818	44.9
145.06479	1.3
146.03149	0.7
147.04352	1.4
148.05128	1.1
148.97325	3.0
149.05971	13.0
149.09590	2.2
149.13208	2.2
149.97157	6.7
152.06175	1.4
153.05455	14.3
153.09079	25.2
153.97839	1.0
154.06216	100.0
154.97717	1.9
155.06656	1.1
158.05995	0.8
159.11665	1.9
162.03052	1.2
163.03882	21.0
163.07506	46.5
164.04144	0.7
165.06943	1.2
167.07027	6.0
167.08557	2.4
167.24879	0.7
167.98230	1.0
168.10210	1.1
171.98912	3.5
172.98755	4.2
177.05438	59.4
177.09027	2.3
177.12756	2.4
177.16396	7.3
178.05794	2.0
180.07729	1.2
186.05498	2.1
195.01271	0.7
195.02939	4.5
195.04399	0.7
195.04977	0.9
195.06459	6.9
195.08095	6.3
195.10136	22.4
195.11545	0.9
195.11900	1.5
195.13794	3.4
195.15715	2.2
195.17386	1.4
196.16940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	2,4,5-Trimethoxystyrene
Peak:m/z	Relative Intensity
53.00302	0.5
53.03940	1.2
55.01860	1.4
55.05497	0.4
57.03418	0.3
57.07082	0.5
65.03932	1.0
67.05498	1.0
68.99776	0.3
69.03405	0.2
69.07064	0.5
70.13854	1.3
71.95284	0.3
78.04702	0.7
79.05480	11.8
81.03399	0.7
81.07039	1.1
83.04965	0.6
83.08618	0.3
84.08143	0.3
89.03893	1.6
89.06023	2.3
91.05464	7.9
92.02642	0.3
92.06269	0.5
93.03390	0.8
93.07031	1.9
94.04176	0.3
95.04952	5.4
95.08601	0.9
98.21379	0.3
103.05449	12.0
105.04520	0.4
105.07013	13.6
106.04181	0.9
107.04936	100.0
107.08569	2.7
108.04607	0.3
108.05239	1.3
109.06478	0.8
109.10131	0.3
110.03634	0.7
111.04421	1.3
111.08091	0.4
115.05440	8.2
116.06244	0.7
117.03374	3.5
117.06998	2.9
119.04914	1.2
119.08578	0.3
120.05708	3.1
121.06493	1.1
121.10127	0.8
122.03589	0.4
123.04414	2.1
124.05205	2.1
125.05968	2.5
131.04898	1.9
131.96115	0.5
133.02802	1.8
133.06473	0.7
133.08582	0.6
134.03632	0.8
134.07253	0.4
135.04393	1.7
135.08032	27.1
135.11673	0.9
136.08389	0.3
137.05988	1.5
137.13243	0.3
138.06627	0.3
139.03862	2.2
139.07494	0.3
143.58897	0.3
145.02826	6.6
145.06483	0.7
145.07614	1.6
147.04402	2.6
148.05157	0.8
148.97354	0.7
149.05952	2.6
149.97191	1.0
150.06561	0.3
151.03891	1.2
151.07498	0.6
152.04657	1.0
152.08287	0.3
153.05403	0.5
154.06227	8.0
154.97720	0.4
161.05971	0.4
162.06717	0.5
163.03880	13.1
163.07515	39.3
164.04231	0.3
164.08011	0.6
165.05458	2.0
165.06844	0.5
167.07010	42.8
168.07465	0.6
168.10120	0.3
171.98915	0.5
172.98805	1.0
177.05440	11.0
177.16354	0.9
180.07793	9.0
180.09100	0.3
186.05508	0.6
195.02885	3.1
195.06519	2.2
195.10133	55.3
195.13792	5.4
195.15735	0.9
196.10463	0.9
196.16745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03942	2.9
55.01857	2.1
55.05502	2.6
57.03412	0.8
57.07059	1.6
65.03935	2.4
67.05495	2.2
68.96321	0.8
69.03418	1.1
69.07057	2.9
71.04979	2.8
71.78666	0.8
71.79060	1.0
71.94122	0.8
79.05484	21.1
81.03413	1.7
81.07041	18.6
83.04976	1.4
85.06504	0.7
87.04440	0.8
89.03898	5.0
89.06021	9.4
91.05469	12.0
93.03414	0.8
93.07029	23.5
95.04945	9.2
95.08594	4.3
100.02448	0.8
103.05456	11.1
105.04524	1.4
105.07023	15.1
107.04938	100.0
107.08578	23.9
107.09306	0.9
108.05270	1.7
109.06504	7.6
109.10152	1.7
111.04454	1.9
111.08056	1.4
113.96397	1.0
115.05427	8.2
117.03359	12.0
117.06990	2.3
118.03562	0.9
119.04922	0.9
119.08575	1.4
120.05711	2.1
121.02854	1.1
121.06477	2.5
121.10117	2.7
123.04408	2.1
123.08042	1.1
124.05186	1.8
125.05975	3.3
131.04898	1.2
131.08530	1.0
131.96109	1.9
133.02837	4.4
133.06522	1.0
133.08589	2.1
134.03638	1.6
135.04411	6.3
135.08035	26.3
135.11668	16.9
137.05954	2.5
137.09578	2.4
137.13271	1.4
138.06557	0.9
139.03856	1.5
139.07533	1.4
143.15677	0.8
145.02826	23.3
145.07596	1.7
147.04373	1.8
148.05103	0.9
148.97324	2.4
149.05957	7.9
149.09515	1.4
149.13242	1.0
149.97118	4.6
151.03905	1.1
152.04657	1.8
152.06104	0.9
153.12735	2.1
153.97845	0.9
154.06207	6.9
154.97681	1.2
159.11629	1.0
163.03883	47.0
163.07512	42.1
164.08037	1.0
165.05519	1.1
165.06952	1.0
167.07011	38.2
168.07423	1.0
168.10085	1.5
171.98880	1.7
172.98775	2.7
177.05438	41.4
177.12723	1.8
177.16388	1.8
180.07802	9.0
180.09285	1.4
186.05464	1.6
195.02879	9.3
195.06479	8.9
195.08235	3.1
195.10117	55.7
195.11613	2.9
195.13789	4.2
195.15686	2.9
195.17343	1.6
196.10248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.70833	0.4
53.00298	0.7
53.03929	1.6
55.01864	2.2
55.05505	1.5
57.38266	0.4
65.03928	1.6
67.05494	0.7
68.96287	0.5
69.03399	0.5
69.07052	1.5
71.14793	0.9
71.15166	1.1
78.04704	0.9
79.05477	13.8
81.03401	0.8
81.07026	1.4
83.04963	0.9
89.03894	4.6
89.06010	1.7
89.18255	0.4
91.05458	8.0
92.05751	0.5
93.07037	2.4
93.07530	0.5
95.04945	6.1
95.08604	1.2
99.04412	0.6
99.85200	0.4
102.66515	0.4
103.05446	11.6
105.04453	0.7
105.07014	14.3
107.04936	100.0
107.08559	3.2
108.05264	1.8
109.06490	1.3
109.98866	0.6
110.03604	0.6
111.04425	1.8
111.08075	0.5
115.05437	9.2
116.06238	0.5
117.03358	9.2
117.07009	4.3
119.04912	1.1
119.08560	0.4
120.05684	2.8
121.02814	0.7
121.06483	1.9
121.10125	1.0
123.04409	2.1
124.05196	2.3
125.05992	2.2
130.48759	0.4
130.96236	0.4
131.04909	1.5
131.08566	0.5
133.02768	0.9
133.06512	1.4
134.03633	1.5
135.04387	2.8
135.08028	27.2
135.11664	1.1
137.05939	1.4
137.09634	0.6
138.03073	0.5
138.06619	0.6
139.03882	2.0
145.02826	16.6
145.06488	0.9
145.07567	1.7
147.04367	2.3
148.05151	0.8
148.97321	1.3
149.05951	5.9
149.09613	0.7
149.13182	0.6
149.97174	1.4
151.03848	1.3
151.07484	0.7
152.04675	1.4
153.01807	1.6
153.05440	0.7
153.12761	0.7
153.97890	0.6
154.06215	7.7
161.05937	0.7
163.03870	6.3
163.07520	43.5
165.05428	1.5
167.07011	40.4
168.07396	0.6
171.98865	1.1
172.98801	0.7
177.05443	26.3
177.09015	1.0
180.07777	8.4
195.02892	3.8
195.06403	2.5
195.10136	59.1
196.10493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	Methyl caffeate
Peak:m/z	Relative Intensity
53.03923	1.1
69.07056	0.4
69.55864	2.4
79.05475	2.5
81.07056	0.7
89.03897	1.0
89.06017	0.5
91.05453	0.6
92.02613	0.7
93.07012	0.8
95.04959	2.6
95.08578	0.6
97.07285	0.3
99.01430	0.3
105.03369	0.7
107.04932	2.1
107.08575	2.5
117.03355	2.8
118.11394	0.3
121.01731	0.3
121.06443	0.3
121.10109	0.7
133.02829	8.5
134.03647	0.6
135.04399	7.4
135.08035	1.1
135.11670	0.5
138.18950	0.3
145.02823	5.2
149.05908	1.7
149.97191	0.6
163.03877	100.0
164.04176	2.3
167.06970	0.5
177.05440	7.6
195.06494	1.0
195.10196	1.4
195.13922	0.3
195.15781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.37949	0.3
51.02374	0.3
51.72880	0.3
53.03936	0.6
55.01866	1.0
55.05502	0.7
57.07063	0.4
58.53690	0.3
63.02369	0.4
65.03915	0.6
67.05495	0.9
68.96325	0.8
69.03432	0.7
69.07060	2.8
70.06571	0.5
70.16950	0.8
70.17373	1.4
70.94253	0.4
71.04977	1.0
78.04698	0.6
79.05480	2.0
81.03396	1.0
81.07061	1.1
83.04959	0.9
84.08145	0.4
89.03900	17.1
89.06013	1.7
91.05480	3.3
93.03396	0.5
93.07024	2.7
94.09046	0.4
95.04962	1.6
95.08592	1.1
97.02882	0.6
97.06490	0.4
103.05463	1.2
105.07021	1.4
106.04159	1.2
107.04935	2.5
107.08570	2.4
109.02835	0.7
109.06497	1.4
109.98915	1.1
111.04419	1.7
117.03360	37.0
117.06987	0.4
118.03660	0.6
119.04910	0.6
119.08605	0.6
121.06496	1.9
121.10140	1.6
124.05180	0.6
125.05971	0.8
127.03945	0.5
127.99930	0.5
130.96286	1.2
131.08551	0.7
131.96092	0.7
133.02818	0.5
133.10110	1.0
134.03606	5.9
135.04398	7.4
135.08034	1.4
135.11644	1.2
137.06003	0.5
137.09630	0.6
139.07457	0.4
145.02821	75.5
146.03148	1.6
147.04388	1.2
148.97348	3.2
149.05957	18.1
149.09607	1.2
149.13249	1.0
149.97133	1.8
151.07530	0.5
153.05441	4.7
153.97871	1.5
154.97711	0.5
158.05975	0.4
159.11641	0.8
162.03082	1.9
163.03871	13.4
167.07018	0.8
168.10187	0.7
171.98918	2.4
172.98779	0.6
177.05438	100.0
177.12692	1.3
177.16351	1.1
178.05748	2.0
186.05530	2.4
195.01135	0.6
195.02809	2.4
195.06525	4.2
195.08173	0.9
195.10126	1.3
195.13759	0.8
195.15587	0.6
195.17352	0.5
196.06052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03932	1.9
55.01839	1.6
55.05500	11.3
57.03413	4.0
57.07059	4.2
59.04980	2.2
67.05499	11.5
69.03397	2.9
69.07055	43.9
69.68914	1.3
70.45277	7.4
71.04955	5.3
79.05482	16.6
80.86962	1.5
81.07041	32.5
83.04942	4.4
83.08236	1.5
83.08602	17.0
85.06497	3.1
91.05472	12.7
93.07025	25.0
95.04945	13.5
95.08587	37.9
97.06516	28.4
97.10139	2.9
99.08041	2.8
103.05431	5.6
105.06313	2.9
105.07012	49.0
107.08575	36.5
109.06493	56.7
109.10132	28.0
111.08042	6.4
111.11703	11.1
115.05418	6.5
118.04124	6.0
119.07719	3.1
119.08559	48.8
121.10108	14.0
123.08043	42.7
123.08960	1.9
123.11649	8.4
131.04910	1.6
131.08525	2.7
133.02850	1.6
133.06471	25.4
133.10104	100.0
134.06815	1.9
134.10413	2.7
135.11667	71.8
136.12144	2.1
137.05972	3.1
137.09584	19.7
142.54938	1.5
145.10037	1.7
147.11667	11.0
149.13219	5.1
151.11136	4.8
151.14795	2.5
161.05959	25.0
165.09077	4.3
175.14790	84.8
176.15144	2.0
178.02548	2.0
193.04904	11.1
193.07039	1.8
193.08548	11.4
193.15849	98.8
194.08067	1.6
194.15967	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	195.065
Annotation	Scytalone
Peak:m/z	Relative Intensity
53.03948	0.7
57.20774	0.4
59.07827	0.4
63.14988	0.4
69.07037	0.4
71.22948	0.7
71.23293	0.6
78.04700	0.7
79.05461	1.2
81.79808	0.4
82.62856	0.4
89.03898	16.4
89.61536	0.4
90.04275	0.6
91.05458	2.0
93.04771	0.4
95.04960	0.8
103.05465	1.2
105.07017	0.8
106.04170	1.3
107.04922	4.5
111.04434	0.7
112.48599	0.4
115.05424	0.4
117.03358	33.6
118.03711	0.8
121.06481	1.3
125.06001	0.6
134.03616	5.3
135.04384	5.4
135.08041	1.6
145.02820	71.5
146.03111	1.5
148.97214	0.5
149.05952	18.0
154.06197	0.6
156.51982	0.5
158.05981	0.8
162.03114	1.7
163.02612	0.7
163.03870	7.9
163.07468	2.0
167.06949	2.3
177.05437	100.0
178.05763	2.6
186.05438	1.2
195.06497	2.9
195.08051	0.4
195.08553	0.4
195.10139	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	193.1584
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.98926	0.4
53.03942	0.9
55.05500	4.3
57.07066	4.2
59.04988	1.6
67.05492	10.3
68.25167	0.4
69.03419	1.8
69.07051	9.9
70.70612	0.8
71.04994	0.8
79.05468	4.1
81.07041	10.2
83.04967	3.5
83.08607	3.6
85.06518	2.7
91.05464	8.4
93.07028	9.9
95.04966	1.9
95.08588	26.8
96.08937	0.7
97.06530	0.7
99.08092	0.7
103.05464	1.2
105.07008	19.3
107.08572	12.8
109.06501	3.2
109.10136	29.2
111.04413	1.0
111.08031	1.1
112.49001	0.5
115.05452	1.0
117.07007	1.6
118.04142	1.1
119.08559	57.2
120.08866	1.0
121.10116	7.7
123.04377	0.5
123.08041	5.5
123.11671	2.4
125.09612	0.7
131.08546	2.3
133.02820	1.2
133.06474	4.8
133.10101	62.7
134.10802	1.5
135.07999	0.5
135.11664	26.3
136.07518	0.5
136.11984	0.7
137.05980	1.3
137.09590	10.9
145.10083	3.9
147.06497	0.4
147.08073	0.5
147.11650	16.3
149.13228	6.0
150.06778	0.6
151.11139	1.4
151.14790	5.2
159.11751	0.6
160.12463	2.7
161.05968	5.7
165.09047	1.0
165.16295	0.5
166.08568	0.7
173.13261	1.2
175.14789	100.0
176.15144	3.0
178.02611	0.9
193.04921	7.5
193.06670	0.8
193.08562	3.1
193.12160	1.2
193.15840	24.5
194.08031	0.9
194.11768	0.6
194.15448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
52.23781	0.9
55.05508	8.7
57.07058	5.5
59.04981	1.5
59.36743	1.0
64.65431	0.8
65.03922	2.1
67.05492	13.5
69.03411	1.6
69.07059	25.8
70.84132	2.6
70.84526	1.7
71.52934	0.9
79.05499	6.2
81.03397	4.1
81.07045	13.2
83.04940	1.6
83.08606	14.0
85.06520	2.7
91.05456	10.1
93.07022	13.9
95.04926	6.1
95.08591	38.5
97.06509	3.6
103.05410	2.2
105.07012	25.7
107.08584	14.0
109.06502	8.5
109.09393	1.7
109.10136	34.3
110.10461	1.3
111.04424	1.3
111.08036	1.3
111.11672	5.3
111.75916	1.3
115.05441	2.4
117.07018	1.5
119.08559	55.7
121.10107	8.7
123.08057	5.2
123.11705	2.9
129.05441	1.2
131.08525	3.2
133.02855	2.4
133.06456	6.9
133.10104	64.1
135.08041	1.0
135.11667	27.8
137.05991	1.1
137.09576	11.5
145.10117	3.5
147.11667	19.6
149.02299	1.7
149.05954	1.4
149.13242	6.0
151.14790	6.5
160.12442	2.9
161.06000	7.1
165.05551	1.7
165.06972	6.8
165.09053	1.5
165.16458	1.4
173.13327	1.1
175.14798	100.0
176.15167	2.7
178.02632	1.2
193.04932	14.7
193.06500	2.1
193.08374	5.1
193.12198	1.7
193.15874	27.1
194.15359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.1
57.07053	3.2
57.53845	0.9
59.14768	0.8
65.03931	1.3
65.61417	0.9
65.80517	0.9
67.05489	9.3
67.08537	0.8
69.07053	9.5
69.68381	6.9
79.05477	3.9
81.03404	3.8
81.07030	7.7
82.91287	0.8
83.08624	2.4
85.06538	2.4
91.05453	8.2
93.07021	7.2
95.04951	4.6
95.08585	24.8
103.05418	1.6
103.63572	0.8
103.88541	0.9
105.07018	17.8
107.08579	9.3
109.06500	4.0
109.10142	22.4
111.04385	1.2
115.05441	1.4
117.06935	1.1
119.08556	53.8
121.10110	3.7
123.08045	2.4
123.11721	1.4
127.68985	0.8
131.08557	3.0
133.02798	1.9
133.06479	6.0
133.10101	62.8
134.10497	1.0
135.08041	0.9
135.11670	17.3
137.05969	1.2
137.09613	9.2
140.02408	0.9
145.10103	2.6
147.04411	1.1
147.08011	1.3
147.11647	16.7
149.02361	2.0
149.13275	5.1
151.11177	1.2
151.14806	3.9
152.16281	1.0
160.12473	2.9
161.05937	5.8
165.05492	1.0
165.06961	1.1
173.13330	1.4
175.14789	100.0
176.15158	3.6
193.04932	8.5
193.08615	1.9
193.12209	2.2
193.15865	17.9
194.15318	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.23416	1.7
53.03944	1.9
55.05500	9.5
60.41283	1.9
67.05476	8.0
67.12781	1.6
69.07058	31.5
70.87135	5.0
70.87495	3.1
71.04981	21.4
79.05474	7.0
80.13593	1.7
81.07037	21.6
83.08610	3.6
85.06523	11.4
91.05451	6.6
93.06490	2.8
93.07035	29.6
95.04952	30.3
95.08585	21.7
97.06503	4.0
97.10147	9.8
99.08047	9.6
105.07010	13.7
107.07880	2.8
107.08578	30.8
109.06508	100.0
109.10169	16.1
110.06844	2.2
111.08038	7.6
111.11700	3.1
119.08562	24.9
121.10119	7.3
122.03629	2.4
123.08029	7.6
123.11704	25.9
123.47184	1.7
133.10132	21.6
135.11682	36.9
137.09590	14.7
147.11653	7.0
149.13217	12.8
149.96989	2.0
150.03102	13.4
151.11169	3.8
155.56247	1.9
175.00143	1.7
175.14801	52.3
176.15112	1.7
178.02621	4.0
193.04979	23.3
193.14091	4.4
193.15858	87.8
194.16017	1.8
195.03998	2.1
198.51572	1.8
212.20079	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.05620	0.9
51.95203	0.9
53.03926	1.2
54.46651	0.8
55.05493	5.2
57.07064	3.3
57.74752	0.9
59.04999	1.5
67.05495	8.9
69.03408	1.2
69.07056	9.7
69.26232	0.8
71.25850	1.7
79.05483	4.1
81.07036	9.6
81.27854	0.8
83.04944	1.9
83.08600	3.1
85.06544	2.3
91.05447	8.5
93.07022	6.9
95.04955	3.0
95.08584	24.5
103.05447	2.7
105.03395	1.0
105.07008	21.6
107.04958	1.0
107.08582	9.2
109.06515	2.3
109.10136	25.2
115.05444	2.1
117.06992	1.4
119.08557	59.5
121.10093	5.1
123.08076	3.7
123.11674	1.8
131.08540	1.9
133.02826	2.1
133.06465	7.7
133.10104	69.7
134.10828	1.4
135.11668	17.7
137.05917	1.2
137.09573	9.2
145.10089	4.2
147.11658	20.0
149.13245	5.4
151.02138	1.1
151.14821	5.9
160.12462	3.2
161.05951	10.9
162.15363	1.0
175.14789	100.0
176.15158	1.7
178.02472	1.3
178.08174	1.8
193.04935	9.9
193.06468	1.3
193.08578	4.7
193.10529	5.3
193.12244	2.4
193.15865	17.0
194.05440	0.8
194.07123	1.0
194.07971	0.8
194.15353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Thymyl acetate
Peak:m/z	Relative Intensity
50.68864	1.0
52.58507	1.0
53.03927	4.2
55.01852	3.7
55.05504	5.7
55.16850	1.0
57.03415	1.5
59.04976	3.0
60.72636	1.0
65.03919	2.6
67.05498	10.2
69.03411	3.5
69.07055	4.7
70.05437	5.1
71.04964	2.1
75.70895	1.0
77.03915	0.9
79.05479	28.4
81.03390	4.3
81.07040	19.4
83.04974	2.5
83.08617	1.1
85.06506	1.7
87.04450	2.1
91.05468	31.8
92.06285	1.5
93.07030	27.8
95.04949	11.1
95.08595	8.3
97.06501	2.6
103.05454	14.5
104.06233	2.0
105.03365	1.3
105.07014	100.0
106.07373	1.7
107.04944	7.0
107.07890	1.8
107.08572	27.9
108.04482	1.6
109.06493	17.0
109.10137	27.8
111.04404	4.8
115.05434	6.7
117.06992	4.7
118.04138	9.3
119.04925	2.2
119.08571	12.7
120.05689	3.4
121.06488	8.6
121.10130	4.8
122.07278	4.7
122.62305	1.1
123.08040	4.0
123.11675	19.3
124.05214	1.9
129.05470	1.4
131.04927	1.9
131.08505	5.2
132.05688	2.3
133.02844	4.9
133.06467	48.2
133.10107	36.0
135.04410	5.5
135.08040	13.8
135.11693	8.2
137.05960	18.7
137.09599	4.0
146.97397	2.5
147.04411	1.6
147.07919	1.3
147.11655	8.4
148.05168	2.9
148.07587	1.4
149.02307	2.3
149.05988	2.6
149.09627	1.5
150.06732	17.3
151.07480	2.2
151.11156	36.6
161.05974	7.1
165.05495	2.1
165.09102	30.7
169.56636	0.9
169.98965	1.9
175.03886	1.4
175.07494	2.5
175.11147	2.8
175.14792	17.5
178.02577	3.7
178.06242	2.4
178.07808	0.9
184.60890	0.9
188.66055	1.0
193.03160	2.1
193.04924	25.5
193.06857	1.4
193.08566	43.0
193.10170	2.1
193.12157	9.9
193.13867	1.6
193.15883	7.1
194.08011	2.7
194.15393	5.0
200.20052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0856
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
50.09259	1.2
50.51806	1.1
51.02343	1.1
51.95681	1.1
52.62554	1.2
53.03926	3.1
55.01856	4.2
59.04985	2.7
65.03915	1.5
66.04707	1.7
67.05482	2.1
69.03432	1.6
69.07038	1.3
70.91609	2.3
70.91921	1.5
76.94051	1.1
79.05483	27.6
81.03410	2.0
81.07024	3.9
83.04935	1.5
87.04468	1.2
90.04693	1.3
91.05458	15.8
92.06221	1.8
93.07012	4.2
94.04189	1.3
95.04967	7.1
95.08578	2.9
97.97560	1.4
103.05456	20.3
104.06225	2.8
105.03440	1.2
105.07014	100.0
106.07355	2.2
107.04951	13.2
107.08587	2.0
109.06490	5.7
109.10140	1.7
111.04429	2.7
115.05432	8.3
117.06998	2.2
118.04147	18.5
119.04913	5.4
119.08571	2.2
120.05729	6.3
121.06521	7.2
121.43756	1.3
122.03610	1.7
122.07310	6.5
122.98725	1.4
123.08083	2.3
124.05212	2.7
131.04890	2.1
132.05672	2.8
133.02832	3.0
133.06470	71.6
133.10062	2.0
134.07242	3.5
135.04381	8.0
135.08005	9.1
137.05956	26.2
147.07947	1.7
147.11676	1.3
148.05162	5.5
149.05925	3.9
150.06738	28.9
151.07434	1.5
161.05972	8.5
165.09093	54.6
166.09491	1.9
175.14749	2.6
178.06232	4.8
193.04932	9.1
193.08575	65.4
193.10344	3.0
193.15817	2.3
193.17673	1.4
194.15404	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	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.9
55.01850	3.4
55.05484	7.2
57.03409	2.1
57.07044	5.0
65.03904	3.0
67.05491	13.0
67.28177	1.8
69.03410	15.8
69.07058	15.0
69.57561	9.7
69.57985	4.8
71.04971	4.9
79.05476	26.6
81.07045	17.9
83.04980	8.3
83.08579	2.4
85.06509	3.3
91.05461	52.6
93.07023	27.1
95.04943	6.3
95.08586	13.6
97.06499	5.6
98.21456	3.9
103.05437	7.5
105.06316	2.9
105.07010	58.8
107.04946	3.6
107.08569	62.1
109.02859	4.7
109.06496	9.0
109.10104	4.8
111.08066	3.8
112.15128	1.7
115.05423	7.5
116.06213	6.8
117.06991	28.5
118.06512	2.3
119.08554	48.0
121.06507	7.7
121.10130	40.6
123.08015	8.2
123.11671	4.8
123.84530	1.9
128.06210	5.3
129.06975	21.2
130.07733	8.8
131.04886	7.4
131.06937	3.2
131.08542	65.8
133.10110	31.3
135.08029	27.0
135.11652	7.6
143.08531	40.8
144.09319	12.1
145.06462	5.9
145.10100	41.7
146.05984	6.6
147.07945	1.8
147.11644	26.3
148.08759	2.1
149.05917	3.3
149.09558	12.6
149.13248	24.3
157.10057	2.3
158.10889	30.4
161.09599	3.4
161.13153	2.0
163.07506	6.5
163.11142	2.4
163.14775	3.8
173.05850	2.0
173.13232	55.9
176.04735	9.8
176.11894	2.3
177.07800	6.7
191.03331	5.3
191.06996	78.9
191.10655	11.4
191.14270	100.0
192.07521	1.7
192.10144	13.3
192.14540	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	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03928	0.5
53.05753	0.4
55.01860	0.8
55.05499	2.2
57.07055	0.7
59.04994	0.5
67.05492	2.1
69.03415	9.7
69.07057	4.9
70.77121	1.1
70.77489	0.9
71.04964	1.0
79.05468	1.9
81.07030	1.9
83.04502	0.5
83.04967	8.4
83.08607	1.1
85.06514	0.9
90.25172	0.4
91.05453	3.3
93.07046	3.4
95.04922	0.6
95.08583	2.8
97.06505	1.4
100.12276	0.5
103.05470	2.1
105.07008	4.6
107.04918	1.0
107.08574	16.0
109.02840	0.5
109.06493	1.5
109.10162	0.8
110.68412	0.4
114.65048	0.4
115.05415	0.8
117.07017	1.1
118.04128	0.4
119.08536	3.0
121.06476	3.9
121.10126	7.4
123.08038	1.3
129.06975	0.7
130.07793	0.6
131.04887	1.7
131.08546	8.0
133.10114	8.8
135.08026	10.6
135.11633	2.1
136.08775	0.7
137.09595	0.6
143.08519	2.3
144.09299	0.9
145.06404	0.7
145.10092	3.9
147.08023	0.7
147.11674	4.2
148.05171	0.9
149.09605	3.9
149.13190	3.0
158.10918	5.5
161.09576	3.0
163.07523	2.0
163.14832	1.0
173.05867	0.8
173.13223	12.2
176.11943	2.0
177.61218	0.4
186.46162	0.4
191.03334	1.5
191.06969	2.6
191.08582	1.8
191.10773	2.4
191.14279	100.0
192.14598	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01860	1.6
55.05503	4.4
57.07058	1.6
67.05492	3.4
69.03418	15.7
69.07056	7.7
69.99756	4.7
71.04968	1.0
79.05476	4.1
81.07040	3.5
83.04968	15.0
83.08601	2.0
85.06509	0.8
91.05473	7.6
93.07028	5.9
95.04944	1.6
95.08585	3.8
97.06502	2.3
103.05456	5.9
105.07003	7.7
107.04917	2.5
107.08578	25.0
109.06480	2.8
109.10126	0.8
111.08051	1.6
115.05451	0.9
116.06204	0.8
117.07005	1.9
118.04140	1.6
119.08555	6.7
121.06483	6.2
121.10136	11.6
123.08051	1.5
129.06958	1.5
131.04858	4.5
131.08556	11.9
132.05669	0.8
133.02812	1.3
133.10106	13.7
135.08035	16.1
135.11626	2.5
136.08813	1.2
143.08531	3.7
144.09323	0.8
145.06525	0.9
145.10104	5.0
147.11658	7.5
148.05161	3.8
148.08752	0.8
149.09570	5.6
149.13232	5.0
150.57245	0.8
158.10892	8.4
161.09579	5.1
163.07559	5.1
163.14812	1.7
173.13223	17.9
176.11990	3.4
191.03366	1.4
191.06995	5.0
191.08618	1.8
191.10612	2.5
191.14279	100.0
192.14609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18713	0.7
50.26098	0.7
53.03920	0.9
55.05492	2.4
57.07055	3.3
59.04984	0.8
64.51801	0.7
67.05489	2.3
69.03404	2.9
69.07032	2.1
71.18360	2.2
79.05482	4.3
81.07047	4.1
83.04963	2.3
83.08581	1.2
85.06515	1.0
91.05469	11.9
93.07030	7.5
95.04934	1.0
95.08588	3.3
97.06507	1.4
103.05461	1.5
105.07018	17.5
107.08575	15.1
109.06490	2.4
109.10120	2.4
115.05440	2.0
116.06185	1.9
117.06992	12.6
119.08561	15.7
121.06466	2.9
121.10118	7.7
123.08053	1.6
123.11691	1.4
129.06970	9.9
130.07741	3.7
131.04878	2.9
131.08542	58.5
132.09077	0.7
133.10089	10.8
135.08005	9.3
135.11641	1.1
143.08543	12.2
144.09317	10.8
145.06435	2.3
145.10095	55.4
146.05948	5.1
147.11664	18.2
149.05942	2.9
149.09575	2.3
149.13219	8.7
156.09186	0.8
158.10887	18.1
163.07539	1.4
163.14803	1.8
171.11627	1.1
173.05894	1.1
173.13228	100.0
174.13596	1.4
176.04648	4.1
177.07813	6.2
186.22237	0.7
191.06990	40.8
191.10632	5.6
191.14270	30.0
192.10141	11.8
192.91637	0.7
205.89850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01837	1.6
55.05494	4.4
57.03422	1.6
57.07056	1.3
58.48941	1.0
67.05477	3.9
69.03415	3.2
69.07054	5.7
69.93494	6.3
69.93909	2.9
71.04970	3.7
71.09800	1.2
79.05487	6.3
81.07027	6.3
83.04975	2.3
83.08592	4.1
85.06519	4.4
91.05454	14.5
93.07030	10.2
93.24030	1.1
94.61462	1.1
95.04951	3.6
95.08585	7.9
97.06507	6.7
98.20675	2.5
99.08073	1.2
105.06318	2.3
105.07012	34.6
106.06526	1.6
107.08574	25.3
109.06484	5.4
109.10126	4.8
116.06213	1.3
117.06995	4.6
119.08562	19.4
121.06466	4.5
121.10135	15.4
123.08065	4.4
129.06987	5.1
130.07753	1.7
131.07524	1.2
131.08545	41.1
133.10104	100.0
134.10448	2.1
135.08028	12.7
135.11685	1.8
136.79523	1.1
143.08549	8.7
144.09323	4.2
145.10092	25.0
147.11641	16.5
148.08873	1.4
149.09605	6.1
149.13245	19.1
158.10876	15.4
163.11154	2.4
163.14839	4.1
171.11646	1.8
173.13231	74.4
174.13547	1.9
191.07001	3.9
191.14282	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	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.11420	1.2
53.17086	1.2
55.05488	5.5
57.07059	2.7
59.46626	1.4
62.56433	1.3
67.05493	7.2
69.03419	19.9
69.06680	1.4
69.07056	21.5
71.04979	2.9
71.54564	3.1
79.05485	10.7
81.03392	1.5
81.07042	8.2
83.04987	6.1
83.08595	3.1
85.06510	3.5
91.05465	16.9
92.88621	1.2
93.07029	14.8
95.04933	3.9
95.08596	10.6
97.06483	5.2
103.05432	2.1
105.07011	25.1
107.04940	2.4
107.07890	2.2
107.08576	28.9
109.02866	1.9
109.06487	6.0
109.10120	5.8
110.07143	1.7
111.08045	3.9
115.05425	3.1
116.06196	2.3
117.06991	6.5
119.08556	20.3
121.06470	4.8
121.10119	20.7
123.08033	8.0
123.11652	2.8
128.06244	1.7
129.06979	7.4
131.07625	2.4
131.08540	31.5
133.10098	39.0
135.08035	28.2
135.11642	4.1
137.09621	1.8
143.08522	11.9
144.09306	5.5
145.06415	1.7
145.10101	22.0
146.05907	2.2
147.08014	1.5
147.11650	13.2
149.09621	10.4
149.13232	11.1
158.10887	12.8
160.04993	7.4
161.09608	2.3
163.11099	1.7
163.14801	4.4
173.13232	46.6
176.11960	2.1
191.03307	3.1
191.06911	8.4
191.08490	2.9
191.10619	4.9
191.14278	100.0
192.10214	1.6
192.14590	1.3
209.98395	1.2
210.29977	1.4
210.31888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.07
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
52.11332	0.3
53.03960	0.4
55.01888	0.9
55.05279	0.3
55.05526	1.1
55.82830	0.3
57.03448	0.6
57.07088	0.3
57.93978	0.3
60.86054	0.3
67.05517	1.0
69.03440	1.4
69.07082	1.0
69.82684	1.6
69.83102	0.6
71.04980	0.3
79.05489	2.0
81.03407	0.3
81.07058	1.4
83.04955	0.6
83.08595	0.4
85.06554	0.5
90.94820	0.3
91.05470	3.9
93.07032	2.2
95.04966	1.1
95.08614	1.3
96.70856	0.3
97.06546	0.4
97.23869	0.3
98.97620	0.5
103.05437	4.7
105.07016	4.2
106.06525	0.4
107.04931	4.3
107.08575	4.0
109.02882	0.6
109.06527	0.9
109.10168	0.9
115.05434	3.1
116.06273	0.4
117.07001	15.1
119.05020	0.3
119.08563	3.2
120.08074	0.5
121.06480	2.3
121.10108	2.7
123.08076	1.1
123.11693	0.8
127.05445	0.9
129.06982	1.1
130.06549	0.3
130.07632	0.4
131.04906	41.3
131.08537	7.5
132.05275	0.6
133.10112	6.5
135.08009	1.9
135.11673	0.7
140.89319	0.3
141.03825	0.3
143.08502	1.1
144.09337	0.8
145.06459	100.0
145.10095	5.7
146.05792	0.6
146.06880	2.0
147.08012	0.5
147.11639	3.3
149.05951	16.3
149.09550	0.7
149.13226	2.5
155.04884	0.6
155.06020	6.4
158.10883	2.7
159.08142	0.3
160.35330	0.3
163.03885	0.6
163.07529	0.8
163.11168	0.5
163.14810	0.5
167.97162	0.3
173.05865	1.5
173.09540	0.6
173.13231	9.7
179.04648	0.8
191.03291	1.3
191.05266	0.6
191.06963	9.6
191.08678	0.5
191.10606	2.2
191.14281	9.1
192.06526	0.7
192.10115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76138	0.7
55.01843	0.9
55.36727	0.6
55.90005	0.7
56.05022	2.0
57.03433	1.8
57.07067	7.5
58.06582	4.9
59.05007	1.0
60.04520	11.8
60.08173	0.8
61.02924	0.9
64.30025	0.6
65.03911	0.8
67.05492	14.7
68.05003	0.8
69.03409	2.8
69.07063	4.4
69.87875	3.8
70.06580	8.2
71.04984	3.5
71.06068	0.6
72.08159	0.9
72.93746	0.9
73.02892	1.1
73.11833	0.7
74.48558	0.7
75.86610	0.7
79.05456	1.2
81.03413	0.9
83.04958	0.9
84.04502	2.7
84.08128	61.6
85.02895	1.4
85.06529	100.0
85.08475	2.1
86.06061	1.5
86.06866	1.9
86.09689	9.9
87.04473	0.8
87.09455	1.2
87.10012	11.4
88.03973	2.4
90.94830	1.6
91.05473	1.4
93.07008	0.8
93.72866	0.7
94.06561	0.8
95.04951	2.4
97.02866	2.0
98.21404	1.5
99.04432	1.2
100.02454	0.7
102.05548	4.8
102.09165	77.4
105.06998	1.8
106.02906	3.3
107.04911	1.3
107.08573	0.9
109.02871	0.8
111.90556	0.7
112.01123	0.7
112.07607	1.7
113.06002	0.9
114.05497	1.1
116.04933	0.8
116.98560	0.7
117.07020	0.9
119.01937	0.9
120.08043	1.4
121.06470	0.9
126.05416	1.0
126.09122	1.9
126.12751	5.3
130.04997	3.4
130.06490	0.8
130.08713	0.8
131.07025	1.6
133.10172	1.0
135.04410	0.9
135.08070	1.0
137.02310	1.4
141.79140	0.7
144.06531	2.4
144.10175	97.6
144.13823	15.3
145.10457	2.6
146.05954	1.7
148.06001	1.3
148.09663	25.3
149.09665	1.0
149.96078	1.5
157.03494	1.2
158.12866	1.9
162.05457	6.3
163.03951	0.7
163.07487	0.9
167.05513	1.7
167.97142	2.3
172.06201	1.0
172.07524	3.7
172.13301	0.9
173.13176	0.9
185.02963	0.9
190.04942	6.9
190.06882	1.0
190.08540	7.9
190.10707	6.1
190.12489	1.2
190.14362	6.2
191.03284	1.3
191.06958	1.9
191.08459	0.7
191.10712	2.5
191.14270	2.8
201.29074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0496
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
53.03946	0.2
53.89252	0.2
55.01848	0.3
55.57808	0.2
56.05031	0.2
56.96555	1.2
57.03376	0.3
60.65452	0.3
62.63792	0.2
65.03931	0.3
69.03416	0.7
69.58427	1.8
69.58855	0.8
70.24294	0.3
72.19832	0.2
73.02906	0.4
81.03417	0.4
81.07010	0.3
84.04494	0.3
84.08146	0.3
85.02888	1.1
87.04448	0.4
89.03915	0.9
91.05475	1.4
93.07021	0.4
93.21493	0.2
95.04961	0.5
97.02859	1.0
98.97551	1.2
103.05457	0.5
105.07027	0.6
106.02879	0.9
106.03540	0.3
107.04940	0.6
107.08597	0.5
109.02880	0.4
115.05406	0.3
116.04954	2.1
116.98582	0.9
117.07029	0.4
118.06528	0.4
119.08537	0.4
120.04408	0.3
120.08070	0.5
120.08878	0.6
121.02843	2.0
121.06494	2.5
130.06509	0.5
131.04924	0.3
131.08563	0.3
133.10095	0.4
134.05981	0.8
134.99625	0.5
135.08043	0.5
144.04446	0.8
144.06458	0.3
144.08035	0.6
145.06473	0.7
145.10086	0.5
146.05962	0.5
146.99632	0.3
147.06812	0.3
147.11632	0.3
149.02371	0.6
149.05902	0.3
149.09555	0.3
158.99623	0.7
162.05479	100.0
163.03873	0.5
163.05901	1.9
163.07211	0.3
167.05513	0.8
169.01743	0.3
169.03458	0.3
172.03847	0.7
172.07538	2.1
172.12062	0.3
175.06317	0.7
177.00699	0.7
179.04672	1.2
187.02766	0.7
190.04970	47.0
190.08539	5.1
190.12852	1.0
190.55399	0.3
191.03448	0.6
191.05284	1.0
191.07074	0.7
191.10651	0.3
191.14299	0.4
197.34401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.123
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
53.03939	0.2
55.01866	1.5
55.05490	1.0
56.05009	0.7
56.96541	0.4
57.03423	2.3
57.05800	0.2
57.07055	0.7
58.06590	1.1
59.04977	0.6
60.04505	0.9
60.05632	0.2
60.07876	0.3
60.08152	4.5
61.02903	0.4
67.05494	1.8
67.12574	0.2
68.35648	0.2
68.99770	0.8
69.03413	2.0
69.07053	10.6
70.06577	3.6
70.07401	0.3
70.59306	0.2
71.01329	0.6
71.04969	0.9
71.05322	0.2
71.78145	0.3
72.08139	1.3
73.02892	1.4
74.06052	0.3
74.07186	1.1
79.05466	0.4
81.03394	0.6
81.07041	0.5
82.06538	0.2
83.01310	0.7
83.04977	1.9
84.04489	3.5
84.05280	0.3
84.08124	12.1
85.02875	1.8
85.04819	0.8
85.06529	5.2
85.08469	0.2
86.09686	100.0
86.41151	0.2
87.04449	1.8
87.09999	1.2
89.02389	0.4
90.01814	0.2
91.05444	0.5
95.04956	0.6
97.02876	0.8
97.06496	0.3
97.10156	0.4
98.98457	0.6
99.04417	0.5
101.02354	2.7
101.05994	0.4
102.05511	0.7
102.09164	4.0
103.02390	0.4
103.03934	0.3
105.06984	1.5
106.02917	0.3
107.04954	0.5
107.08591	0.3
109.02870	0.3
111.00804	1.1
111.04424	0.9
112.04793	0.2
115.02335	0.2
115.03902	3.0
115.05424	0.5
115.09447	0.3
116.07059	1.2
116.97209	0.2
117.06968	0.3
118.06532	0.5
118.87047	0.2
119.01888	0.7
119.06863	1.1
119.08576	0.8
119.84461	0.2
120.04344	0.2
121.01676	0.4
121.03455	0.4
124.75903	0.3
125.05993	0.3
125.09600	0.4
126.05518	0.2
126.09128	0.3
126.12708	0.2
127.03884	0.5
128.06197	0.5
129.01775	1.0
129.02821	0.2
129.05438	0.7
130.04964	2.2
130.08617	4.2
131.08571	0.3
132.04442	0.3
133.03444	0.2
133.06514	0.3
133.10126	0.5
134.05975	0.4
134.99666	0.3
135.08029	0.2
139.00229	1.8
143.03474	0.5
143.04903	0.3
143.06897	0.2
143.08794	0.8
143.11748	0.6
143.12706	0.3
144.06531	0.3
144.07625	0.3
144.10176	4.7
144.11247	0.5
144.13809	0.8
145.03467	0.4
145.06502	0.4
145.08423	0.9
145.10094	0.7
146.06024	0.8
147.01439	0.3
147.06335	2.4
147.08087	0.3
147.11668	0.5
148.09676	1.0
156.09337	0.6
157.01291	2.7
159.02928	0.2
159.11623	0.3
160.05162	0.3
161.02925	0.6
161.05913	1.2
161.09615	0.4
161.13272	0.3
162.05530	0.6
163.02788	0.2
171.02849	0.6
171.06534	0.5
171.11656	1.3
172.03992	0.3
172.07581	0.5
172.09659	1.7
172.15303	0.4
174.06801	0.2
174.10362	0.4
175.02415	0.4
177.06129	0.4
185.02963	0.4
189.05382	0.7
189.06744	1.2
189.09265	1.4
189.12337	3.6
189.16020	2.5
189.17694	0.5
190.04967	0.6
190.08653	0.8
190.10799	0.5
190.12457	0.3
190.14255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1118
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
55.01848	3.7
55.05503	24.9
57.03428	31.0
57.07066	60.2
61.02904	16.1
61.80800	2.2
64.91630	1.9
67.05476	7.0
68.03178	1.7
69.03417	14.6
69.07053	22.9
70.13313	4.5
70.13701	4.5
71.01324	6.3
71.04973	5.4
71.08601	2.0
73.02899	12.9
79.05486	19.8
81.03383	2.9
81.07040	37.3
83.04954	9.8
83.08607	11.3
85.02896	14.9
85.06525	39.1
87.04470	2.6
90.01768	2.2
91.05466	7.2
93.07010	12.9
95.04951	3.3
95.08575	7.7
97.02876	3.2
99.08067	7.4
105.07007	4.6
107.08545	6.6
109.06489	4.3
111.04408	4.7
111.08065	11.6
119.08595	3.2
125.09592	5.4
127.07527	100.0
129.05486	2.3
129.09103	5.5
133.10100	3.4
141.09076	5.9
145.10100	2.1
147.06335	5.0
149.02301	9.3
149.09563	2.8
153.09077	24.9
171.10266	9.7
171.11536	3.4
189.09093	4.1
189.11171	4.0
189.12654	6.0
189.16347	4.6
190.08701	4.7
190.10460	1.9
207.56638	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
53.27439	0.6
55.01857	6.5
55.05498	8.3
56.05017	1.4
56.96545	0.9
57.03413	1.3
57.07069	0.7
59.04984	0.7
59.67896	0.6
59.99081	0.8
61.02913	0.9
67.05492	5.9
67.97664	0.7
68.50504	0.6
69.03419	8.5
69.07044	1.7
70.02946	0.8
70.06570	1.9
71.01337	1.1
71.04971	3.5
71.80920	0.9
72.08141	3.8
79.05472	3.8
81.03407	7.4
81.07040	27.0
82.06566	0.9
83.04952	3.1
83.08157	1.2
83.08612	17.0
84.04485	8.5
84.08154	3.1
85.02884	5.3
85.06535	4.4
86.03227	1.1
86.09698	1.4
87.04433	1.2
88.01690	1.1
88.02203	14.2
88.97692	0.7
91.05475	6.7
93.07018	1.7
95.04951	3.1
95.08607	3.2
96.08116	1.3
97.02852	2.5
97.06491	1.9
98.09678	18.7
98.98413	0.7
99.04424	2.8
103.05443	1.4
105.07005	2.1
107.08543	2.1
108.08093	3.6
109.02859	3.3
109.06499	7.5
109.10141	2.9
111.04443	1.0
111.08009	1.2
113.05975	1.0
114.05540	1.1
114.09136	1.2
115.05438	2.6
116.06208	1.0
117.07018	2.9
118.05730	1.3
118.06518	16.1
123.04398	1.4
123.08064	2.5
123.11663	1.6
124.07557	0.9
125.09625	0.9
126.05464	1.7
126.09133	31.6
127.03952	4.2
127.04803	1.0
127.05847	1.2
127.07529	2.3
128.02287	1.7
128.06180	0.8
128.07071	1.4
129.06976	1.6
131.04916	2.3
131.08543	7.3
133.06491	0.8
133.10188	0.8
136.06151	1.1
141.05434	1.9
141.06934	4.2
141.09070	1.2
142.06548	2.2
142.08617	3.8
142.12257	1.2
143.07281	2.7
143.08492	0.6
144.05678	1.5
144.08093	5.7
144.09164	1.2
145.06496	1.2
145.10124	1.5
146.05983	24.9
151.03838	0.9
151.07545	1.5
151.08641	5.5
151.11139	1.7
159.06898	1.0
159.08038	10.6
159.11707	1.1
160.07553	1.0
163.97749	1.6
169.04944	2.1
169.09700	100.0
170.05957	3.2
170.10049	1.5
170.11722	0.7
172.08882	0.9
173.00755	3.6
181.98711	1.2
182.03200	1.2
182.16496	0.7
187.02293	1.4
187.03764	4.8
187.05916	2.6
187.07547	12.9
187.10829	13.3
187.12671	4.2
187.14537	1.3
188.07048	8.4
188.09120	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	187.0001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01299	6.9
53.03928	8.3
55.01857	8.4
55.05497	21.5
55.93534	18.9
60.04523	8.8
61.02915	8.5
67.05491	20.2
69.03417	56.1
69.91630	33.8
69.92037	16.7
70.06570	27.7
71.04989	14.0
72.93764	13.2
73.94569	9.0
79.05469	13.0
81.03409	56.2
81.07025	41.8
82.06561	12.4
83.04980	14.9
83.08598	31.2
84.04512	38.7
84.08149	17.8
85.02893	40.5
85.06532	13.4
88.02206	100.0
89.94034	14.1
90.94817	17.8
91.05457	17.8
95.04958	18.9
95.08563	8.5
97.02869	25.5
98.20464	8.7
98.98483	20.3
99.04445	21.2
108.95833	13.5
109.02866	25.0
109.06503	20.4
109.10143	19.1
112.89583	81.6
113.96427	10.5
114.05524	18.7
114.09150	9.1
116.07092	22.6
118.06534	63.4
119.01923	9.0
123.08054	13.1
123.94542	16.0
125.02300	8.8
125.96104	11.4
126.05439	9.9
127.03915	18.4
127.07564	12.2
128.07043	12.7
128.95148	9.2
128.98720	12.7
131.04991	11.3
131.08530	18.9
138.68129	7.8
140.99422	8.8
141.05446	9.7
141.07140	11.5
142.08621	31.6
143.11763	8.6
144.08043	23.6
145.10098	8.0
146.06003	67.8
150.96857	8.6
157.45830	8.0
159.06941	11.4
159.08067	53.0
159.11586	8.0
169.04974	17.2
173.00803	47.0
187.02339	15.2
187.03841	15.0
187.06024	25.3
187.07639	55.9
187.11079	19.4
187.12662	24.5
187.14490	17.1
188.07028	26.4
188.09128	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	187.0001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	24.2
56.05013	30.2
57.03418	14.8
60.04514	16.9
62.69191	10.1
67.05497	27.4
69.03412	26.7
69.07065	10.9
70.06570	69.4
70.62426	10.4
71.30228	22.6
71.30594	10.7
72.08140	37.1
81.03396	40.5
81.07012	18.4
82.06560	15.3
83.04967	24.4
83.08585	13.7
84.04484	43.8
84.08123	59.9
85.02895	34.2
86.09688	18.5
87.27077	9.6
88.02212	31.5
95.85897	8.9
97.02868	31.8
99.04408	13.5
100.07613	20.8
101.06025	15.5
109.02880	9.8
114.05518	32.1
114.09167	23.4
116.07086	100.0
118.06525	15.2
118.46895	10.1
119.01952	14.4
123.00725	12.8
127.03932	13.7
128.07082	52.4
130.08699	12.4
136.06105	51.7
140.78410	10.7
141.10170	14.4
142.08636	67.9
143.11800	18.9
146.06004	27.9
146.08073	42.0
159.08084	21.7
173.00804	24.0
187.05898	11.6
187.10828	43.4
188.07025	11.4
188.09108	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01850	0.8
55.05482	0.7
56.04997	0.9
57.03432	1.2
58.06568	0.6
60.04520	3.7
60.09979	0.5
67.05494	6.3
68.05024	1.2
69.03394	1.7
69.07056	28.0
70.06567	1.2
70.07377	0.6
70.91525	1.8
71.04960	0.8
74.06044	0.9
75.29145	0.5
79.05484	4.1
80.05000	0.9
81.03397	1.5
81.05789	2.6
81.07035	1.6
82.06558	0.8
83.04958	0.7
83.08549	0.6
84.04478	3.5
84.08118	2.0
85.02888	9.9
86.09695	0.6
88.02171	0.6
89.03893	4.1
93.05749	0.9
94.06556	7.9
95.04960	4.7
96.08108	11.8
96.78394	0.5
97.02848	1.0
97.06514	9.3
98.06032	1.8
99.04456	0.9
103.00580	1.0
103.05473	0.5
106.06508	0.6
108.04450	0.9
110.07133	1.7
112.02145	1.2
112.07594	2.5
113.06006	0.6
114.05520	10.9
117.03371	4.3
119.01917	0.6
121.00782	1.4
121.01645	6.1
122.06002	29.3
123.04465	1.0
123.08019	0.9
124.03976	0.6
124.07574	6.9
125.05966	1.9
126.05495	9.4
127.03890	1.3
130.06488	2.1
135.04378	0.8
136.06163	1.1
138.05415	0.6
139.01773	2.4
139.02692	1.8
140.04198	1.6
140.07036	100.0
141.05479	2.6
141.07382	2.0
142.08618	1.1
144.03218	1.4
144.06583	1.2
145.02806	6.0
150.05504	0.8
156.07683	1.1
158.06021	2.3
158.08148	0.7
163.01640	2.6
168.06535	10.1
168.10150	0.8
169.04942	0.7
181.02791	6.3
186.05544	4.5
186.07596	17.5
186.11172	2.5
187.03958	0.6
187.07677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1897
Annotation	2-Dodecanone
Peak:m/z	Relative Intensity
53.03946	2.1
55.05503	69.6
56.05864	0.5
57.07067	11.3
61.02925	0.4
64.17640	0.4
67.05486	1.5
69.03413	0.5
69.07057	100.0
70.06593	0.7
70.07391	1.5
70.10902	0.8
70.11306	1.7
70.39787	0.3
71.08619	6.2
79.05481	0.7
81.07033	1.1
83.04971	0.6
83.08606	44.8
84.04494	2.2
84.08939	0.8
85.02892	5.1
85.10171	4.4
93.07039	0.5
95.08557	0.7
97.10153	41.5
98.06052	0.8
98.10486	0.9
99.04437	0.6
101.95002	0.4
102.96845	0.7
107.08586	0.5
109.10139	0.4
111.11703	14.8
112.07572	0.8
112.12019	0.5
114.05515	7.0
120.97867	1.1
121.00751	0.4
121.06566	0.4
121.10102	0.4
125.13259	0.8
125.82083	0.4
126.05495	6.2
127.03879	0.6
138.98885	0.9
139.01799	0.8
140.07033	1.7
140.10724	0.5
140.77985	0.4
143.08557	0.5
144.06483	0.5
156.09256	0.5
157.10109	0.7
168.10051	0.6
185.05862	0.6
185.09348	0.7
185.10831	0.7
185.13255	1.0
186.05449	0.5
186.07561	3.4
186.11198	1.2
186.18500	0.7
186.22113	1.6
198.01843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0602
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
65.03940	1.0
67.05511	0.5
71.59312	0.8
82.06581	0.7
82.99834	0.5
86.09689	1.2
88.17665	0.3
88.84492	0.3
92.04988	1.3
96.04506	0.5
101.00844	5.1
104.10728	0.4
109.05276	0.3
110.06038	1.3
119.01897	30.7
120.02023	1.1
120.04452	1.5
124.02428	0.8
124.03925	0.3
124.99984	0.5
125.06009	0.3
137.02934	11.6
138.05469	6.8
142.02470	0.6
142.03476	6.6
143.01854	0.7
143.03607	0.4
146.27106	0.3
148.03903	71.1
149.04272	1.1
160.04535	2.1
161.02948	3.7
166.04965	100.0
167.05339	1.9
179.03987	4.7
184.06009	19.4
184.09631	1.0
196.17940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
71.64303	100.0
75.76557	53.5
167.02155	60.3
180.45619	53.6
195.83342	55.5
198.19925	63.5
202.46021	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	185.117
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
50.80681	2.0
52.56752	2.2
53.00290	2.0
53.03931	4.0
55.01846	4.2
55.05502	13.0
57.03422	5.4
57.07068	4.8
59.04989	5.0
63.12644	2.4
67.05495	12.6
69.03418	5.5
69.07056	100.0
71.01329	2.3
71.04990	12.3
71.81398	2.8
72.08132	15.8
74.06062	2.1
75.23931	1.9
79.05489	17.0
79.07993	1.9
81.03421	9.7
81.07040	33.4
83.04970	9.5
83.08599	5.6
84.04498	5.7
85.02897	12.6
85.06532	5.4
86.09694	24.7
87.04483	2.7
89.03896	3.7
91.05462	8.9
93.07030	35.2
95.04957	9.1
95.08603	16.1
96.04533	2.2
97.02881	4.5
97.06506	12.3
97.10126	4.8
99.04440	97.2
101.05968	4.1
102.96856	2.6
105.06994	12.1
107.04947	2.4
107.08598	18.5
109.06497	30.7
109.10141	5.6
111.04427	9.5
111.08060	21.1
112.07587	3.5
113.05989	3.3
114.05500	12.6
115.81527	2.0
117.03365	6.0
119.08593	2.3
120.97899	3.2
121.00768	2.5
121.06459	10.5
121.10120	61.8
123.08044	9.4
123.11677	11.5
125.02358	3.8
125.05975	12.0
125.09610	9.5
126.05494	10.5
127.03893	4.7
129.05490	2.6
129.07043	3.1
131.08543	8.2
138.98921	3.5
139.01788	6.0
139.03877	4.4
139.07516	5.1
139.11145	17.9
140.07021	5.6
142.07788	3.9
145.02821	6.6
149.07101	2.5
149.09592	28.7
157.10138	3.1
158.05960	2.6
163.01830	5.9
167.03433	2.1
167.07039	9.2
167.10648	83.7
170.10860	2.8
181.02853	14.0
185.04459	4.7
185.11732	92.9
185.13066	4.2
185.16556	3.6
186.05490	4.0
186.07632	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	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78337	0.1
57.60159	0.1
60.00613	0.3
69.21431	0.1
70.99035	0.3
82.99794	1.1
92.76169	0.1
100.02454	0.2
101.00858	16.8
101.94953	0.2
102.00954	0.5
118.03511	0.3
119.01897	100.0
120.01969	3.3
121.02306	0.3
124.02389	1.3
129.80688	0.1
133.03470	0.3
137.02930	35.9
138.03015	1.3
139.03365	0.4
142.03471	26.7
143.01915	0.3
143.03644	1.8
144.03168	0.3
160.04524	8.1
161.02928	11.2
161.04546	0.9
162.03056	0.4
165.05052	1.0
179.03979	17.9
180.04108	0.3
181.04523	0.2
184.04477	0.7
202.05531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1741
Annotation	Codlemone
Peak:m/z	Relative Intensity
50.92714	2.0
51.38171	1.8
53.03933	8.5
53.13545	2.5
55.01858	2.5
55.05501	45.4
57.03423	52.8
57.07069	23.8
67.05491	100.0
69.03411	21.5
69.06674	3.9
69.07051	63.2
70.03706	7.1
70.04124	6.9
71.04980	12.4
71.08616	14.1
79.05460	15.0
80.68781	2.0
81.03385	3.6
81.07040	96.6
83.04964	6.4
83.08607	22.2
85.02882	6.7
85.06526	9.1
93.07027	6.4
94.06528	2.5
95.04951	16.3
95.08588	87.2
97.10157	6.7
98.98450	51.0
99.04424	8.7
99.08073	3.7
101.95000	4.3
105.03369	27.8
107.08579	2.5
109.10134	39.6
111.04430	5.3
118.96746	4.4
119.08511	2.8
119.96027	3.3
123.04374	13.4
123.11688	7.6
124.07458	2.9
127.01572	11.4
129.05455	4.5
137.05917	3.6
137.09628	4.3
137.97133	3.8
141.05478	2.4
142.03539	2.7
155.04649	4.2
155.07043	4.8
155.08322	2.2
155.98103	2.5
160.98682	3.1
165.05441	2.8
166.05008	2.3
166.08612	2.3
183.06471	4.3
183.07970	4.5
183.09489	7.5
183.11653	6.6
183.13541	2.4
183.17493	2.3
184.09596	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	182.1537
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.01856	0.8
55.05500	5.7
57.03412	1.1
57.07064	2.7
58.02950	21.4
59.05000	0.4
65.03921	0.4
67.05492	14.1
69.03405	1.4
69.07055	45.8
69.51018	3.7
70.06577	1.7
70.07398	0.5
71.04976	0.6
71.08621	0.9
72.08142	0.5
74.06052	1.5
79.05469	3.8
80.09509	0.4
81.07040	14.1
82.06561	0.5
83.04959	1.6
83.08603	6.0
84.08129	6.9
85.06506	0.4
86.06043	1.3
90.87019	0.4
91.05445	3.5
93.06479	0.6
93.07025	6.7
94.07316	0.4
95.04961	2.4
95.08592	4.3
97.06510	3.0
97.10175	0.4
98.06027	2.3
98.09686	2.1
98.97543	0.5
98.98435	1.1
100.02458	0.7
100.07598	4.7
100.09379	0.4
100.56185	0.4
105.03365	0.8
105.06387	0.3
105.07011	11.0
107.08572	14.3
108.08923	0.4
109.06503	1.8
109.10134	36.3
110.10432	0.7
112.07586	1.9
114.09145	12.6
116.98615	0.7
119.08543	1.2
120.82721	0.4
121.10135	1.8
123.04412	0.7
123.08035	0.6
123.11683	5.8
124.11166	0.4
125.13251	0.6
126.03989	0.5
126.09130	12.6
126.12758	1.2
127.01579	0.5
128.10684	0.6
131.08536	0.6
133.10104	27.6
134.10393	0.8
135.11665	13.1
136.07530	1.2
137.13220	0.7
138.12747	15.8
139.13072	0.5
140.04570	0.4
140.10654	1.1
140.14290	0.7
140.94870	0.4
147.11671	4.1
151.11150	10.4
153.12714	9.8
154.08629	1.7
154.15872	1.1
164.11510	0.6
164.14304	1.7
165.12773	1.8
182.08015	1.1
182.15373	100.0
183.15724	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	182.081
Annotation	Tyrosine
Peak:m/z	Relative Intensity
55.01852	1.8
59.18816	0.5
60.30299	0.6
65.03925	1.2
68.09402	0.5
69.03398	1.0
71.79535	0.9
79.05484	3.2
87.15624	0.5
91.05463	22.7
94.06556	5.3
95.04951	10.8
95.06866	0.6
96.23578	0.6
97.02855	0.5
103.05432	0.8
107.04940	1.2
108.08112	1.7
109.06498	1.0
111.04345	0.7
118.06528	1.3
119.01923	1.2
119.04922	27.0
121.06493	1.4
122.06019	1.1
123.04408	40.4
124.03947	0.6
124.04773	0.6
125.05981	3.2
128.97990	0.5
131.01917	1.0
136.07552	100.0
137.05948	0.9
137.07869	2.3
147.04379	14.8
148.04686	0.5
153.05460	2.1
164.05745	1.0
164.07054	2.8
165.05453	31.2
166.05756	1.3
173.02905	0.6
178.59435	0.6
182.04182	0.7
182.05777	12.6
182.08110	17.5
182.11646	0.7
195.97957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1584
Annotation	(Z,Z,Z)-3,6,9-Dodecatrien-1-ol
Peak:m/z	Relative Intensity
53.03938	1.8
55.01859	8.8
55.05500	20.7
56.96555	10.7
57.03413	4.2
57.07066	13.8
58.78661	1.2
65.03918	2.7
67.05493	70.1
69.03410	1.5
69.07054	17.2
70.97715	3.7
71.04970	4.8
76.08453	1.5
79.05481	29.9
81.07040	56.5
82.23774	1.3
83.04960	20.1
83.08602	13.5
85.06537	8.3
89.03876	2.7
91.05460	12.0
93.07030	47.0
95.04947	5.6
95.08591	100.0
96.08911	2.3
97.06512	13.4
97.10162	7.4
98.97569	65.9
98.98218	3.3
103.05463	1.9
105.07012	6.5
107.04952	2.4
107.08569	38.8
108.08048	1.4
109.06514	2.1
109.10133	35.1
111.04395	2.7
111.08064	11.8
116.97205	4.7
116.98601	82.8
117.03367	3.3
117.07049	1.4
119.08562	1.8
121.06460	4.4
121.10127	33.8
123.04419	2.2
123.08050	3.3
123.11658	1.5
125.05984	8.2
125.09599	5.5
126.09132	1.6
134.99634	75.1
135.04381	10.0
135.08029	3.0
135.11699	8.3
136.07559	6.0
137.05960	3.1
137.07213	1.4
137.13240	9.5
139.11147	2.4
140.00194	4.6
143.83435	1.3
145.02786	6.8
148.05182	1.5
149.05959	1.8
153.00699	12.1
153.05455	1.8
154.08618	10.0
158.01237	13.2
163.03883	24.4
163.07489	1.6
163.09659	2.1
163.11134	9.0
163.14799	15.3
164.07091	4.1
176.02272	2.9
181.04907	9.0
181.06294	2.5
181.08626	9.6
181.10011	2.4
181.12218	9.3
181.15837	61.4
182.08080	5.0
182.16177	2.1
199.26866	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01859	8.8
55.05500	20.7
56.96555	10.7
57.03413	4.2
57.07066	13.8
58.78661	1.2
65.03918	2.7
67.05493	70.1
69.03410	1.5
69.07054	17.2
70.97715	3.7
71.04970	4.8
76.08453	1.5
79.05481	29.9
81.07040	56.5
82.23774	1.3
83.04960	20.1
83.08602	13.5
85.06537	8.3
89.03876	2.7
91.05460	12.0
93.07030	47.0
95.04947	5.6
95.08591	100.0
96.08911	2.3
97.06512	13.4
97.10162	7.4
98.97569	65.9
98.98218	3.3
103.05463	1.9
105.07012	6.5
107.04952	2.4
107.08569	38.8
108.08048	1.4
109.06514	2.1
109.10133	35.1
111.04395	2.7
111.08064	11.8
116.97205	4.7
116.98601	82.8
117.03367	3.3
117.07049	1.4
119.08562	1.8
121.06460	4.4
121.10127	33.8
123.04419	2.2
123.08050	3.3
123.11658	1.5
125.05984	8.2
125.09599	5.5
126.09132	1.6
134.99634	75.1
135.04381	10.0
135.08029	3.0
135.11699	8.3
136.07559	6.0
137.05960	3.1
137.07213	1.4
137.13240	9.5
139.11147	2.4
140.00194	4.6
143.83435	1.3
145.02786	6.8
148.05182	1.5
149.05959	1.8
153.00699	12.1
153.05455	1.8
154.08618	10.0
158.01237	13.2
163.03883	24.4
163.07489	1.6
163.09659	2.1
163.11134	9.0
163.14799	15.3
164.07091	4.1
176.02272	2.9
181.04907	9.0
181.06294	2.5
181.08626	9.6
181.10011	2.4
181.12218	9.3
181.15837	61.4
182.08080	5.0
182.16177	2.1
199.26866	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03933	0.9
55.01874	1.3
55.05502	3.7
57.03411	1.0
57.07068	31.7
59.04978	2.7
67.05498	2.1
69.03401	1.7
69.07065	4.4
71.04210	2.2
79.05483	9.1
81.03413	7.9
81.07048	6.7
83.04968	64.6
83.08586	1.2
83.27702	0.7
91.05462	3.0
93.07034	7.2
95.04955	18.3
95.08598	2.2
97.06516	33.6
99.05531	2.9
105.07004	4.6
107.04924	3.3
107.08575	9.3
109.06511	0.9
111.04404	1.8
116.97225	0.9
116.98572	1.4
117.07018	2.3
119.08543	3.4
121.06510	2.9
121.10136	12.7
122.06049	0.7
125.05971	100.0
126.06342	0.8
130.07793	1.6
135.04422	1.1
135.08057	1.8
135.11638	6.4
136.07501	1.0
145.10103	11.5
152.32997	0.7
163.03853	1.2
163.11156	89.9
164.11542	3.0
181.08597	1.5
181.12210	43.8
182.01035	1.2
182.08073	2.0
182.12607	1.6
182.19019	1.2
190.92676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1583
Annotation	(Z,Z,Z)-3,6,9-Dodecatrien-1-ol
Peak:m/z	Relative Intensity
53.03927	1.4
55.01854	1.9
55.05501	24.9
56.96302	1.0
56.96559	14.6
57.03411	2.5
57.07063	13.4
57.93559	1.1
59.04983	2.0
65.03901	1.3
67.05492	12.2
69.03401	1.1
69.06673	1.1
69.07055	17.6
71.04973	5.3
71.08611	3.7
71.95242	2.2
79.05478	10.4
81.03394	3.1
81.06586	1.6
81.07040	23.0
83.04961	18.5
83.08151	1.4
83.08604	19.6
85.06523	3.7
85.10200	1.1
89.03860	1.0
91.05447	4.1
92.34778	0.9
92.91592	0.9
93.07023	17.3
95.04950	7.6
95.08591	17.5
97.02850	1.5
97.06516	15.8
97.10155	12.5
97.98403	0.9
98.97566	55.5
99.08060	2.0
105.03032	0.9
105.07016	1.9
107.04947	3.6
107.08572	22.7
109.10130	6.9
111.04358	1.3
111.08054	5.6
116.97203	5.0
116.98596	78.9
117.06982	1.4
117.98929	1.6
119.08529	1.5
121.06473	2.7
121.10135	20.4
122.05979	1.0
122.10497	1.6
123.08028	2.2
123.11683	3.9
123.12525	0.9
125.05968	20.8
125.09591	3.5
134.99632	100.0
135.04433	4.6
135.08043	1.9
135.11665	7.0
136.00005	1.6
136.07538	3.7
137.05957	1.3
137.13248	1.1
139.03888	0.9
139.11127	1.3
139.98804	1.4
140.00146	8.2
145.02837	2.6
145.10110	2.5
153.00696	21.8
154.08582	1.8
158.01234	24.0
163.03871	8.1
163.07573	1.0
163.11154	20.9
163.14799	24.4
164.06985	1.7
164.11470	1.0
176.02245	4.5
181.02786	3.0
181.04907	5.1
181.06290	1.6
181.08566	5.2
181.09912	1.4
181.10519	1.3
181.12206	17.3
181.15833	21.8
181.17436	1.3
182.00919	1.9
182.04327	1.3
182.08009	1.7
196.08350	1.1
201.09674	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1219
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01857	0.8
55.05489	1.1
56.96540	0.5
57.03410	0.5
57.07046	1.2
59.04981	1.9
61.48415	0.3
63.76926	0.3
67.05471	1.3
69.03404	1.3
69.07051	2.6
69.44333	1.1
69.44753	2.0
79.05472	4.5
81.06584	0.5
81.07034	5.1
83.04959	1.3
83.08598	0.5
87.04470	0.4
87.62551	0.3
91.05477	1.8
93.07021	10.4
95.04930	0.8
95.07987	0.6
95.08588	10.3
97.06509	1.8
98.97561	6.0
105.07021	1.9
107.04913	0.9
107.08568	20.6
108.08891	0.4
109.06514	0.5
109.10107	1.5
111.04398	0.8
111.08035	0.9
116.97229	0.5
116.98590	5.6
117.06966	0.4
119.08545	2.5
121.06477	2.7
121.10120	12.0
122.10459	0.3
123.08011	2.1
125.05974	3.0
125.09597	0.4
130.07745	0.5
133.10153	0.3
134.99625	4.1
135.08061	0.6
135.11664	28.9
136.12007	0.6
137.09523	0.4
137.13203	1.0
139.07513	6.1
140.00172	0.4
145.10097	7.3
146.10472	0.4
153.00653	0.4
153.12704	1.3
158.01213	0.9
163.03818	0.6
163.11148	21.8
163.96379	0.3
164.11528	0.8
181.12192	100.0
182.12520	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	181.122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
53.86450	0.8
54.61132	0.8
55.01844	2.0
55.05480	2.7
56.96545	1.3
57.07065	32.0
59.04973	3.4
67.05502	1.3
69.03402	1.3
69.07037	3.3
79.05478	10.8
81.03403	7.3
81.07037	5.7
83.04965	61.5
84.05303	1.4
85.06529	1.6
89.06541	0.8
91.05462	2.4
93.07020	8.0
95.04388	1.1
95.04951	18.2
95.08599	1.1
97.06512	33.0
98.97565	7.3
105.07021	4.7
107.04923	2.9
107.08559	8.8
109.06490	1.5
109.10181	0.9
116.97199	1.3
116.98614	7.0
117.06983	2.6
119.08529	3.3
121.06469	2.9
121.10117	12.8
121.45295	0.7
122.25520	0.7
123.08006	1.4
124.69100	0.8
125.05967	99.5
126.06290	2.0
129.72047	1.0
130.07785	1.7
133.10167	0.7
134.99619	7.6
135.11674	4.6
140.00175	1.1
145.10104	8.7
153.00786	0.8
158.01176	1.4
163.03844	1.6
163.11150	100.0
164.11491	3.1
167.17490	0.8
181.04906	1.5
181.06398	0.7
181.08557	3.3
181.12190	43.0
182.08000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03946	0.9
55.01863	1.3
55.05513	2.0
57.07066	33.9
59.04998	3.4
67.05495	1.8
69.03423	1.1
69.07040	3.4
79.05482	10.8
81.03402	6.9
81.07040	5.1
83.04966	57.6
90.46201	0.8
91.05469	1.9
93.07039	6.4
95.04950	19.6
95.08592	0.9
96.25263	0.7
97.06513	29.2
98.20705	1.7
105.07024	4.0
107.04940	3.0
107.08575	7.9
109.06512	0.9
116.98559	0.7
117.06979	1.3
119.08547	2.6
121.06492	2.2
121.10126	9.4
123.08057	1.1
125.05972	100.0
126.06272	1.8
130.07761	1.6
135.08035	1.0
135.11676	4.0
143.08505	1.0
145.10094	8.8
163.03882	0.9
163.11156	98.5
164.11520	3.1
181.04927	1.4
181.06390	1.0
181.08607	2.0
181.12209	41.9
182.08081	0.8
182.12535	0.8
182.18971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02377	0.7
51.58947	0.6
53.03929	1.6
55.01859	2.4
55.05503	3.2
56.96547	2.5
57.03430	1.6
57.07066	34.0
59.04991	3.2
65.03915	0.8
67.05493	3.0
69.03420	2.2
69.07060	4.8
69.98887	3.6
71.04969	1.0
79.05476	12.2
81.03412	6.6
81.07045	6.1
83.04967	64.8
83.08610	1.2
85.02903	0.7
85.06535	1.1
89.03915	0.9
90.77221	0.7
91.05468	4.3
93.07030	9.5
95.04954	21.7
95.08596	2.3
97.06518	33.3
98.34300	0.6
98.97562	15.5
105.07024	4.9
107.04937	5.4
107.08585	12.2
109.06464	1.2
109.10126	0.6
113.43211	0.7
116.97340	0.8
116.98602	18.6
117.03341	1.1
117.06998	2.4
119.04919	0.8
119.08559	3.8
119.68163	0.6
121.02863	0.7
121.06506	4.6
121.10131	18.1
123.04427	0.9
123.08038	4.2
125.05972	97.4
126.06333	1.8
130.07774	1.7
134.99640	16.4
135.04411	4.5
135.08043	2.2
135.11667	7.0
136.07581	1.6
137.52802	0.6
139.07545	0.8
139.11171	1.2
140.00192	0.9
145.02846	1.5
145.10101	9.7
148.05182	0.8
149.05948	1.5
153.00681	2.8
154.08600	0.9
158.01225	2.4
163.03885	12.6
163.07491	2.0
163.11160	100.0
164.07039	0.9
164.11493	2.5
181.04977	4.0
181.06343	1.2
181.08725	3.5
181.12207	43.2
182.08224	1.1
182.12572	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
58.59006	0.3
63.02357	0.4
66.52525	0.3
69.03433	0.3
70.96957	0.9
70.98356	0.3
79.05474	2.3
88.17345	0.3
89.03901	10.7
91.05461	1.1
95.04942	0.5
98.97550	1.3
100.14679	0.4
106.30560	0.3
107.04938	4.6
111.04446	0.6
116.98585	0.8
117.03359	14.7
119.04932	0.4
121.10096	0.3
134.99651	0.7
135.04393	31.7
136.04726	0.7
139.03874	0.8
142.47650	0.3
145.02823	19.7
146.03189	0.6
163.03874	100.0
164.04204	3.1
164.97626	0.3
173.16066	0.3
181.04942	1.0
181.15976	0.3
185.40759	0.3
187.01399	0.3
204.30806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0491
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.05207	0.2
53.00295	0.3
53.03928	0.5
53.74122	0.2
58.17472	0.2
63.02363	0.4
70.06096	1.8
79.05478	1.8
89.03901	12.1
91.05460	0.9
95.04963	0.5
98.21526	0.3
98.97556	0.8
107.04931	4.3
111.04407	0.8
116.98593	0.3
117.03360	13.6
118.03719	0.3
119.04905	0.4
121.06439	0.3
121.08396	0.4
135.04391	33.3
136.04706	0.7
139.03902	0.7
145.02823	20.3
146.03114	0.5
163.03873	100.0
164.04201	2.8
181.04930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1219
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.27521	0.6
55.01848	1.6
55.05500	2.5
57.03407	1.1
57.07064	31.6
59.04982	3.1
66.01534	0.7
67.05482	1.9
67.56378	0.6
69.03412	0.7
69.07059	3.7
69.52081	2.8
69.52508	4.8
79.05479	7.8
81.03407	5.6
81.07042	4.7
83.04964	54.5
85.06534	0.9
86.77034	0.7
91.05481	3.8
93.07043	5.6
95.04947	18.6
95.08609	0.9
97.06513	32.4
98.97559	7.5
105.07017	3.9
107.04917	2.0
107.08567	9.2
109.06480	1.1
116.97240	1.6
116.98593	7.6
117.07018	1.8
119.08559	2.5
121.06465	3.5
121.10122	11.4
123.08068	1.2
125.05965	97.2
126.06329	1.4
130.07742	2.2
134.99588	4.9
135.11676	5.6
140.00185	1.1
143.08624	0.9
145.10094	8.3
153.00705	1.0
154.08588	1.2
158.01204	2.1
163.03876	2.0
163.11154	100.0
164.11497	2.5
174.34320	0.9
181.04781	1.2
181.08638	1.4
181.12202	40.9
193.84976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45325	0.6
53.03935	1.9
55.01863	12.0
57.03432	11.9
60.04502	1.1
61.02910	5.3
63.56092	0.7
67.05502	1.4
69.03418	40.3
70.03738	0.6
70.06567	0.6
71.04967	4.1
71.80267	0.9
72.04511	3.5
73.02897	7.1
75.04458	0.8
79.05477	2.6
80.04999	2.5
81.03410	6.8
81.07061	1.1
83.01309	0.8
83.04971	1.5
84.04494	1.6
84.08135	1.0
85.02891	100.0
86.03224	0.7
87.04446	1.7
88.03963	1.6
89.03906	1.1
91.03967	0.8
91.05470	1.6
92.05836	0.9
93.07039	1.7
94.06575	1.2
95.04967	2.1
96.04483	1.3
97.02876	24.5
99.04442	9.4
101.02368	8.2
103.03950	1.3
103.05510	0.7
105.03444	0.6
105.06953	0.9
106.06547	4.6
107.04958	1.3
107.08591	1.0
108.04469	12.4
109.02869	5.1
110.06071	0.8
112.07587	4.1
114.05517	0.9
115.03895	6.1
117.03426	1.0
119.08578	0.7
120.05270	0.8
120.08097	2.3
121.06497	2.5
121.10126	2.2
122.06019	0.9
123.08056	1.1
124.03959	0.8
125.05949	1.2
126.05482	0.8
127.03895	72.7
128.04254	1.4
128.91208	0.7
134.05997	6.7
134.09560	0.9
135.04402	4.2
135.08148	0.8
135.11719	0.7
136.07542	0.8
137.05920	0.8
138.05470	0.8
138.09102	1.5
139.03926	0.8
144.06526	0.8
145.02867	1.9
145.04936	34.1
148.04730	1.1
152.07043	8.6
153.01085	0.7
153.05446	1.0
156.97574	0.9
162.05418	1.3
162.09096	7.2
163.03877	8.7
163.05972	5.4
163.11163	0.9
174.98569	0.8
180.03894	2.0
180.06435	7.3
180.08673	1.6
180.10051	6.8
181.02557	0.7
181.04951	2.5
181.06451	0.7
181.08513	1.4
181.12242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03934	3.4
53.46181	1.6
55.01860	9.7
55.05500	16.2
56.96557	2.9
57.03417	5.7
57.07052	5.6
65.03905	3.6
67.05493	98.5
69.03423	7.4
69.07051	14.4
69.40759	1.5
71.04974	6.2
71.08645	2.2
71.31307	3.9
79.05483	17.7
81.03403	3.0
81.07040	60.8
81.80176	1.6
83.04963	3.1
83.08601	4.5
85.02890	2.0
88.02197	1.9
88.74612	1.6
91.05460	20.7
92.05824	1.8
93.07033	27.7
95.04947	17.3
95.08588	100.0
98.98445	4.6
105.07013	21.1
107.04897	2.3
107.08571	14.2
108.04477	1.7
109.06501	7.9
109.09386	3.2
109.10136	56.2
117.06977	2.7
119.04910	13.1
119.08566	21.5
120.08070	2.5
121.06499	4.4
121.10121	6.0
123.04410	7.7
123.08051	13.3
133.02809	3.4
133.06476	4.7
133.10101	12.8
134.05972	3.1
135.11670	4.9
136.02132	2.9
136.05157	1.7
136.07414	1.7
137.05969	2.8
137.09592	15.3
137.13220	1.6
139.01553	3.2
147.04382	19.8
151.03838	2.0
151.11107	3.1
151.14796	12.4
161.05984	11.6
161.09604	3.8
161.13264	7.9
162.09146	5.9
164.04047	5.2
179.03357	29.5
179.06467	24.4
179.08583	3.4
179.10487	9.1
179.14265	37.8
180.06506	3.4
180.10181	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03930	2.9
55.01867	13.5
55.05498	17.6
56.96553	3.0
57.03434	3.6
57.07060	6.8
59.04988	2.4
60.32410	1.8
67.05496	44.5
69.03416	3.9
69.07064	13.5
71.04990	4.1
71.81854	2.4
79.05482	26.8
81.03431	2.1
81.07045	100.0
83.04951	3.5
83.08607	5.1
85.59136	1.6
91.05459	20.6
93.07040	22.0
95.04958	20.9
95.08595	71.5
97.06493	4.1
98.98450	6.8
103.05442	2.1
105.07014	28.4
107.04896	3.5
107.08607	11.6
107.09190	2.5
108.04485	2.5
109.06508	16.6
109.10136	27.8
111.08102	2.4
111.10174	2.2
117.07004	2.4
119.04926	12.7
119.08556	16.6
121.06461	2.1
121.10146	8.5
123.04414	10.7
123.08044	18.9
123.11684	2.4
133.02864	5.8
133.06461	6.9
133.10100	16.8
134.06012	4.1
135.11664	4.5
136.02144	3.2
137.05977	4.1
137.09578	5.2
146.03554	2.0
147.04367	16.3
147.07988	2.1
151.07536	3.6
151.11171	3.0
151.14819	4.9
152.07066	2.3
161.05959	10.1
161.09613	5.0
161.13210	11.7
162.09163	2.8
164.04031	4.1
177.80244	1.8
177.94504	1.7
179.03366	32.6
179.06274	29.8
179.08574	3.0
179.09096	3.5
179.10591	17.8
179.14259	32.2
179.15855	2.4
180.06573	6.5
180.10190	5.4
181.18208	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.53569	1.2
53.03933	1.5
53.34852	1.1
55.01859	11.6
55.05500	7.7
56.96555	9.5
57.03424	6.3
57.07054	3.3
59.04982	2.0
62.23440	1.1
64.32452	1.2
65.03923	2.8
67.05494	27.4
69.03420	6.2
69.07063	9.0
70.92444	3.0
71.04965	5.9
73.02895	2.1
79.05069	1.9
79.05479	24.0
81.03407	1.8
81.07044	48.8
83.04971	9.4
83.08588	3.2
85.02879	2.8
85.06522	4.0
86.06018	1.4
87.04406	1.2
91.05466	39.5
93.07030	39.0
95.01397	1.0
95.04961	14.5
95.08591	63.0
96.08958	1.4
97.02853	2.2
97.06522	10.6
97.10177	1.2
98.98444	2.6
99.08076	1.6
105.03370	3.8
105.07015	44.6
106.06586	2.0
106.07278	1.1
107.04921	2.8
107.08570	16.3
108.04459	4.1
108.05769	1.4
109.06496	9.4
109.10140	10.6
110.05998	1.5
111.04397	1.5
111.08056	4.2
112.07565	4.2
114.70828	1.1
115.05443	1.6
116.00191	1.1
117.06941	2.9
119.04148	1.6
119.04931	21.9
119.08566	55.3
120.05743	1.3
120.08096	3.2
120.08865	1.4
121.06482	3.5
121.10123	21.0
123.04408	11.2
123.08051	14.5
123.11684	2.4
124.07545	1.6
131.08511	1.7
133.02827	7.8
133.06474	10.4
133.10110	35.5
133.11115	2.4
134.05981	2.8
135.04385	3.6
135.11673	35.3
136.02107	1.2
136.05182	2.6
136.07520	1.5
137.05983	6.0
137.09564	4.4
137.13257	6.7
138.05518	1.3
138.09070	1.6
139.01541	2.3
146.03601	2.9
147.03406	1.8
147.04390	35.3
149.05943	1.4
151.03914	5.3
151.07538	3.2
151.11150	3.7
151.14796	1.4
152.07021	2.9
161.05956	14.0
161.09605	5.0
161.13235	85.9
162.05508	1.9
162.09096	10.6
162.13583	2.4
164.04015	2.7
165.05447	2.3
178.07834	1.4
179.03358	43.5
179.06796	20.8
179.08635	2.1
179.10675	17.9
179.14278	100.0
180.03658	1.8
180.06499	4.4
180.07874	7.1
180.10078	7.2
180.14653	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03923	1.8
55.01855	5.3
55.05500	11.7
55.62564	0.8
57.03429	5.5
57.07066	9.0
59.04979	2.8
65.03914	2.1
66.31711	1.1
67.05492	25.4
69.03419	5.5
69.07056	17.9
70.41144	3.6
71.04981	2.0
71.08624	4.7
71.29076	0.8
74.40836	0.9
79.05492	6.2
81.03377	1.3
81.07039	21.2
83.04963	34.7
83.08598	5.1
85.06523	4.2
91.05459	14.3
93.07027	12.9
95.04949	18.2
95.08589	77.3
96.05305	1.1
96.08930	1.4
97.06520	1.9
97.10145	2.9
98.21317	1.2
103.05422	1.2
105.03362	1.1
105.07010	16.4
106.06567	1.1
107.04897	1.9
107.07882	1.6
107.08570	20.5
108.04423	2.0
109.06495	20.8
109.10136	36.9
110.07137	0.9
111.08033	2.5
112.07630	1.0
112.92937	0.8
117.06978	1.4
119.04911	6.9
119.08559	22.3
121.06467	3.6
121.10130	21.3
123.04421	5.1
123.08044	40.0
123.11648	7.5
129.68864	0.8
131.08611	1.0
133.02811	3.4
133.06474	3.6
133.10107	14.8
134.05989	1.0
135.08032	1.2
135.11670	20.8
136.08824	1.0
137.05960	14.6
137.09586	19.4
137.13245	5.4
143.08484	1.9
147.03293	1.2
147.04390	12.5
151.03864	2.1
151.07497	1.8
151.11157	2.8
151.14789	33.6
152.07018	2.5
152.15128	1.0
161.05972	8.2
161.09560	6.8
161.13228	17.9
162.09102	1.2
167.56729	0.8
177.33392	0.8
179.03352	14.3
179.07132	8.7
179.10721	12.5
179.14273	100.0
180.06558	2.0
180.10158	2.0
180.14647	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.34275	1.8
55.01839	2.1
55.05504	21.9
56.85832	1.7
57.03428	20.4
59.04986	3.8
67.05491	8.8
69.03413	10.2
69.07058	12.5
70.19508	8.6
71.04978	5.6
72.04486	3.4
79.05480	18.5
81.03394	1.6
81.07049	34.6
82.42240	1.6
83.04958	6.3
83.08604	4.3
84.89794	1.5
85.06522	4.2
91.05463	20.8
93.07027	43.8
94.99606	1.6
95.04959	6.5
95.08586	38.0
97.06496	4.3
105.07012	32.4
107.08581	61.0
109.06502	58.3
109.10114	10.2
119.04893	2.7
119.08550	30.0
119.53564	1.6
121.10129	70.1
123.08050	33.3
123.11687	2.6
125.09612	31.9
131.08551	2.0
133.10110	43.5
133.11119	2.3
135.11667	29.4
137.09604	6.6
137.13208	8.5
147.04387	6.1
151.11104	2.4
161.09586	4.6
161.13235	79.1
162.09109	2.2
162.13580	3.2
179.03358	7.1
179.06500	3.1
179.10710	24.2
179.14279	100.0
180.06427	2.1
180.10110	1.9
180.14642	4.3
189.59395	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53569	1.2
53.03933	1.5
53.34852	1.1
55.01859	11.6
55.05500	7.7
56.96555	9.5
57.03424	6.3
57.07054	3.3
59.04982	2.0
62.23440	1.1
64.32452	1.2
65.03923	2.8
67.05494	27.4
69.03420	6.2
69.07063	9.0
70.92444	3.0
71.04965	5.9
73.02895	2.1
79.05069	1.9
79.05479	24.0
81.03407	1.8
81.07044	48.8
83.04971	9.4
83.08588	3.2
85.02879	2.8
85.06522	4.0
86.06018	1.4
87.04406	1.2
91.05466	39.5
93.07030	39.0
95.01397	1.0
95.04961	14.5
95.08591	63.0
96.08958	1.4
97.02853	2.2
97.06522	10.6
97.10177	1.2
98.98444	2.6
99.08076	1.6
105.03370	3.8
105.07015	44.6
106.06586	2.0
106.07278	1.1
107.04921	2.8
107.08570	16.3
108.04459	4.1
108.05769	1.4
109.06496	9.4
109.10140	10.6
110.05998	1.5
111.04397	1.5
111.08056	4.2
112.07565	4.2
114.70828	1.1
115.05443	1.6
116.00191	1.1
117.06941	2.9
119.04148	1.6
119.04931	21.9
119.08566	55.3
120.05743	1.3
120.08096	3.2
120.08865	1.4
121.06482	3.5
121.10123	21.0
123.04408	11.2
123.08051	14.5
123.11684	2.4
124.07545	1.6
131.08511	1.7
133.02827	7.8
133.06474	10.4
133.10110	35.5
133.11115	2.4
134.05981	2.8
135.04385	3.6
135.11673	35.3
136.02107	1.2
136.05182	2.6
136.07520	1.5
137.05983	6.0
137.09564	4.4
137.13257	6.7
138.05518	1.3
138.09070	1.6
139.01541	2.3
146.03601	2.9
147.03406	1.8
147.04390	35.3
149.05943	1.4
151.03914	5.3
151.07538	3.2
151.11150	3.7
151.14796	1.4
152.07021	2.9
161.05956	14.0
161.09605	5.0
161.13235	85.9
162.05508	1.9
162.09096	10.6
162.13583	2.4
164.04015	2.7
165.05447	2.3
178.07834	1.4
179.03358	43.5
179.06796	20.8
179.08635	2.1
179.10675	17.9
179.14278	100.0
180.03658	1.8
180.06499	4.4
180.07874	7.1
180.10078	7.2
180.14653	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0699
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
50.18848	0.3
53.03929	0.8
55.01859	2.8
55.05492	0.6
57.03421	0.6
57.07041	0.6
59.04977	0.6
65.03918	2.7
67.05479	1.7
69.03410	1.5
70.06570	0.7
71.25363	0.4
71.25705	0.9
73.02895	0.6
76.03258	0.4
77.03895	0.4
79.05487	2.3
80.05020	0.4
81.07027	1.5
84.04445	0.4
84.08119	1.4
84.70251	0.4
84.75568	0.4
85.02863	2.4
89.03898	1.0
91.05465	44.6
92.05791	0.6
93.07027	0.5
95.04953	3.2
95.08583	0.5
97.02866	1.1
98.98438	0.6
105.03352	2.2
105.07012	2.9
106.06544	1.1
107.04941	1.5
107.08564	0.9
108.04446	1.4
108.05695	0.5
109.02869	0.8
109.06499	0.9
115.05440	0.5
118.04156	0.7
119.01912	1.3
119.04922	83.2
120.05233	1.9
121.06495	1.2
122.03628	0.7
123.04413	6.1
123.08046	0.9
127.03903	1.4
133.02814	6.6
133.06474	2.1
133.10109	1.8
134.05989	1.8
135.04378	0.8
136.02126	0.5
136.05191	1.6
137.05954	11.3
146.03648	0.9
147.04381	100.0
148.04739	2.3
150.05608	0.4
150.06735	1.0
151.03860	2.5
151.07507	6.3
151.11139	0.6
152.07094	1.2
156.07671	0.5
161.02321	1.3
161.05933	4.0
161.06931	0.3
161.09613	1.7
161.13226	0.5
164.04669	2.7
164.06593	0.6
165.05460	0.8
166.23058	0.4
179.01707	0.8
179.03363	22.6
179.07007	28.1
179.08821	1.6
179.10591	1.7
179.14288	0.5
180.03772	0.7
180.06514	1.2
180.10147	0.6
188.07219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
57.35177	1.0
62.46723	1.0
70.11909	5.5
70.12337	1.5
79.05495	1.8
81.07052	2.0
91.05482	3.6
93.07034	1.3
95.04961	2.6
95.08623	2.0
97.02903	1.3
100.02498	3.6
101.00851	10.9
105.07029	3.9
105.95699	1.0
107.08585	1.1
108.04501	2.5
115.01208	1.6
115.02422	1.4
118.03504	2.8
119.01900	100.0
119.04958	4.9
120.02048	4.5
121.10219	1.1
123.04450	2.9
133.01581	2.6
133.03511	9.6
133.06456	2.4
133.10109	2.3
134.05978	1.2
137.02943	44.3
137.05913	1.1
137.08258	1.0
138.03107	3.3
142.03519	4.1
146.03673	1.7
147.04323	6.5
151.04576	3.3
152.07167	1.5
156.03275	2.0
156.05014	8.6
156.06041	0.9
161.02930	27.2
161.04187	1.5
161.06015	4.6
161.09636	1.7
166.90501	1.2
174.03156	1.3
174.06065	2.2
179.04030	45.5
179.06883	4.9
179.10753	3.9
179.14336	1.4
180.04126	1.3
180.06593	1.3
180.10239	1.1
184.04636	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.086
Annotation	Clausamide II
Peak:m/z	Relative Intensity
55.01857	0.8
55.05493	0.2
56.92369	0.2
57.03418	0.4
59.93091	0.3
65.03933	0.3
67.05481	0.8
68.05028	0.5
68.61794	0.3
68.99777	1.1
69.03419	0.6
71.04966	0.5
71.57528	0.2
71.80423	0.2
79.05466	0.8
80.04965	0.2
81.03387	0.3
81.07040	0.7
83.04942	0.5
84.08128	0.5
85.02893	0.2
86.09633	0.2
88.02204	2.1
90.04211	0.3
91.05462	2.6
93.07016	0.3
94.06519	0.3
95.04972	1.0
97.02863	0.4
98.06071	0.2
98.98464	0.3
103.05463	0.2
105.03386	0.6
105.07001	1.2
105.07619	0.2
106.06523	0.4
107.04938	0.5
107.07321	0.2
109.02851	0.5
109.06493	0.9
110.07139	0.4
111.04409	0.7
112.07542	0.4
115.05442	0.4
116.10718	3.5
117.03338	0.3
118.03673	0.6
118.06514	0.2
118.96733	1.9
119.01932	1.0
119.04920	3.9
121.06480	0.4
122.06028	0.4
122.09648	0.4
123.04410	1.4
132.02040	0.2
132.04391	0.5
132.08041	0.8
132.08937	0.3
133.02849	1.4
133.06467	0.9
133.10086	0.7
133.99049	0.4
134.06032	0.3
135.04387	3.2
135.06706	0.3
136.03838	0.3
136.06151	0.3
136.07545	0.4
136.95439	0.2
137.02324	0.9
137.05966	2.2
137.09616	0.2
143.04861	0.7
146.03209	0.8
147.03268	0.4
147.04391	4.8
150.02893	0.3
150.05495	1.0
150.09087	0.5
151.03859	0.6
151.07527	0.6
151.94101	0.3
154.96439	1.3
155.01913	0.3
160.03914	0.4
160.07553	0.8
161.02263	0.4
161.05936	1.4
162.05447	0.4
163.06247	3.9
172.92781	0.2
172.95242	0.3
172.97597	0.2
173.02957	0.3
177.98055	1.2
178.05251	2.6
178.08604	100.0
179.03358	6.4
179.06897	1.8
179.08934	2.4
179.10519	0.4
185.02892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0336
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02369	0.6
53.03933	0.9
55.01863	1.2
55.05504	0.5
58.15991	0.2
65.03916	0.5
67.05503	2.0
68.99789	0.5
69.03384	0.2
71.08764	0.5
73.02907	0.2
77.03918	2.4
79.05477	1.8
81.03413	0.3
81.07043	1.0
83.04954	0.4
84.08146	0.2
85.02885	0.3
89.03902	2.9
91.05465	2.0
93.07027	0.8
95.04952	4.5
95.08596	0.8
103.05450	0.4
105.03378	7.5
105.04472	0.4
105.06982	1.9
107.04932	5.0
107.08551	0.3
108.04485	0.4
109.02878	0.6
109.06506	0.7
115.05399	0.3
117.03374	2.4
117.07072	0.3
119.04920	1.8
119.08572	1.4
120.02073	0.3
120.08078	1.0
120.52408	0.3
121.06506	0.7
121.10135	0.3
123.04414	16.8
123.08035	0.7
124.04765	0.5
127.03944	0.3
133.02832	34.4
133.06487	0.8
133.10101	1.6
134.03102	0.6
135.03442	0.5
135.04396	5.8
135.05423	0.3
135.11722	0.4
136.02014	0.3
137.05940	0.7
137.09576	0.4
145.03952	0.3
145.38130	0.3
147.03336	0.4
147.04398	3.6
151.03883	5.5
151.07581	0.4
151.11121	0.5
152.07008	0.3
161.02316	4.4
161.05957	1.7
161.09604	1.1
161.13214	0.7
179.03369	100.0
179.06738	2.9
179.10481	2.1
179.14252	0.5
180.03716	3.6
180.06448	0.5
180.10153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.85666	0.3
53.03926	0.6
63.02378	1.1
67.05482	0.8
70.08216	1.9
71.04982	0.4
73.52093	0.3
78.04692	1.3
81.07050	1.7
84.83646	0.3
89.03905	33.0
90.04234	0.6
91.05452	2.7
93.86444	0.4
95.04948	0.8
98.98466	0.8
102.42896	0.4
103.05450	1.6
103.76064	0.4
105.03344	0.5
106.04140	3.1
117.03362	63.9
117.99860	0.4
118.03701	1.7
119.04897	0.8
121.06474	0.6
124.05190	1.0
134.03609	5.9
135.04407	4.1
145.02826	100.0
146.03148	3.3
147.90396	0.4
149.02350	0.5
149.05959	21.1
150.06284	0.5
158.06004	0.6
162.03139	1.0
163.03908	1.9
177.05443	35.3
177.12778	0.4
178.05814	1.2
186.05428	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97845	0.8
69.70750	6.1
69.71095	0.6
71.98534	0.7
75.59895	0.7
77.18745	0.7
104.54028	0.8
132.02087	100.0
133.02420	1.7
150.03114	1.7
155.76501	0.9
176.01065	28.5
191.55864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0542
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03934	0.6
55.01857	0.5
55.05477	0.4
58.77512	0.4
63.02376	1.0
64.25544	0.4
66.45067	0.3
69.07036	0.9
70.91577	1.1
71.58767	0.4
78.04697	2.2
79.05470	1.2
81.07018	0.5
82.93596	0.4
83.08569	0.6
88.02202	1.2
89.03900	32.7
90.04226	0.7
91.05472	3.1
93.07012	1.7
95.04940	1.4
95.08607	1.3
98.98451	5.4
99.52167	0.4
103.05447	1.8
106.04153	2.4
107.04906	0.5
107.08577	1.6
110.67107	0.4
117.03358	64.4
118.03699	1.4
119.04923	0.5
119.08533	0.5
119.50003	0.4
121.06506	1.1
121.10127	2.1
124.05180	0.9
131.04909	3.9
131.06891	0.3
131.08641	1.2
134.03606	7.3
135.04399	6.2
135.11678	1.0
145.02820	100.0
146.03140	3.1
149.02322	1.8
149.05951	22.7
149.09532	0.5
150.06291	0.5
158.05989	2.1
159.04378	5.8
159.07990	1.2
159.11685	0.4
162.03087	1.2
163.03886	2.4
177.05435	38.4
177.09232	1.9
177.12730	1.1
177.16351	1.7
178.05766	1.5
178.08600	1.7
186.05463	7.2
187.05783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
52.59365	0.7
55.05504	8.6
56.15120	0.7
57.07041	0.9
61.06239	0.8
67.05484	2.6
69.03385	0.8
69.07059	13.0
71.56992	1.6
79.05466	2.9
81.07045	15.8
83.08614	3.6
91.05462	13.1
92.48590	0.8
93.07032	5.8
95.08594	10.6
98.98460	4.6
105.07016	41.9
106.07298	1.7
107.08575	9.9
107.88160	0.7
109.10130	1.0
115.03984	0.7
117.06981	3.4
119.08561	74.4
120.08868	1.2
120.23911	0.8
121.10098	1.8
130.06491	2.3
130.08612	0.9
131.08545	7.5
133.10106	48.6
134.10387	1.3
145.10104	3.0
146.10880	2.9
146.45157	0.9
147.11662	13.4
158.05981	1.2
160.12566	1.6
173.13246	2.4
175.07507	2.0
175.14798	100.0
176.07082	1.0
176.09163	0.8
176.15144	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05502	8.5
57.07061	1.1
66.00511	0.5
67.05490	2.9
69.07055	21.1
69.77216	3.7
72.00216	0.6
79.05473	3.6
81.07038	10.7
83.08608	5.7
85.92927	0.5
91.05467	8.1
93.07033	4.9
95.04915	0.7
95.08589	8.7
98.98443	1.7
103.05448	0.7
105.07013	29.5
106.07323	1.2
107.08592	7.4
109.10137	0.7
115.05450	0.7
117.07037	3.2
119.08560	84.6
120.08853	2.8
121.10121	3.0
131.08543	4.1
132.09254	1.2
133.10104	65.1
134.10432	2.2
145.10098	4.9
146.10896	1.6
147.11646	9.6
158.10783	0.7
160.12395	2.8
173.13246	1.8
175.14795	100.0
176.15135	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	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03938	0.7
53.14462	0.4
55.05502	2.9
57.03419	0.3
57.07045	0.6
67.05488	1.0
69.07057	9.1
69.59712	2.6
69.60133	1.1
70.06580	0.5
79.05462	1.6
81.07046	3.8
82.06551	1.3
83.08600	1.3
88.02171	0.5
88.92965	0.3
91.05469	6.9
92.90047	5.6
93.07018	2.5
94.06528	1.6
95.08580	2.5
97.02894	0.5
98.21451	0.7
98.97802	0.5
98.98454	9.5
103.05450	0.5
105.07014	15.6
107.08587	3.7
112.07575	1.2
115.03911	0.5
115.05430	0.5
115.09502	0.6
117.06986	2.2
119.08561	45.5
120.08894	1.4
121.10125	1.1
127.02018	0.3
128.07077	1.2
129.06970	0.9
130.06546	0.5
130.07724	0.7
130.08618	7.3
131.08540	3.4
132.09315	1.0
133.10104	46.6
133.92741	1.3
134.10486	1.4
139.03900	0.3
140.07030	1.4
142.07785	0.9
144.09297	1.0
145.10094	8.4
146.10896	0.5
147.11658	20.7
148.12007	0.7
151.93730	6.7
157.04277	1.2
157.10062	1.1
158.08144	0.5
159.11656	3.4
160.11008	0.5
160.12453	6.0
161.04813	0.4
161.13173	1.2
169.94861	1.0
173.13184	1.1
174.95386	1.8
175.11255	3.2
175.14789	100.0
176.07014	1.1
176.09148	5.3
176.10625	0.6
176.15164	3.2
177.12605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
54.50423	0.5
55.05504	7.5
57.07061	1.4
67.05493	1.9
69.07058	19.8
71.17664	1.1
74.39371	0.5
79.05478	2.1
80.87383	0.5
81.07047	3.8
83.08609	5.1
91.05470	6.2
93.07043	2.1
95.08589	5.1
98.98448	2.3
105.07015	19.6
107.08583	5.1
117.07011	2.1
118.36072	0.5
119.08565	70.5
120.08904	1.6
121.10161	2.9
130.06509	0.8
131.08566	3.0
133.10109	58.9
134.10495	1.5
135.11665	0.7
145.10127	4.3
146.10902	1.0
147.11658	9.6
160.12462	2.7
173.13258	1.9
175.14801	100.0
176.06976	0.7
176.15144	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0864
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
51.02391	0.4
55.01855	0.5
55.05492	0.6
56.05040	0.3
57.01506	0.4
57.30680	0.3
57.89685	0.3
59.39138	0.3
60.05639	5.9
60.19319	0.3
67.05486	0.6
69.03413	1.5
69.07043	0.6
70.06582	16.2
70.24423	1.3
70.24847	0.5
71.04995	0.3
71.06858	0.3
71.79963	0.3
72.08143	0.8
72.93790	0.4
73.02895	0.5
81.07086	0.4
82.02935	3.1
83.04951	0.8
84.08130	0.5
85.02895	1.5
86.09676	1.9
87.04482	0.4
90.61153	0.3
91.05457	1.1
94.06552	4.9
95.04955	0.5
97.02875	1.7
98.98450	6.7
103.02466	0.4
103.05447	1.7
104.04988	2.6
105.07005	1.1
111.04411	1.7
112.07558	0.4
112.08724	0.6
115.03928	0.6
115.05448	1.4
116.07072	4.6
116.97222	0.8
119.01917	0.6
119.08556	2.4
120.08149	0.3
127.03860	0.7
129.05521	0.6
130.06506	81.3
130.09590	2.4
131.04898	0.3
131.06848	2.4
132.04428	75.5
133.03564	0.4
133.04787	1.8
133.06424	0.4
133.10103	1.4
139.03845	0.4
146.06168	0.3
147.04456	0.7
147.09132	1.4
156.06750	1.0
157.02455	0.3
157.07587	36.8
158.05988	100.0
159.06345	2.8
175.08644	32.7
175.11896	5.6
175.14764	2.2
176.07111	0.6
176.09065	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01862	1.1
55.05503	6.8
55.87113	0.5
57.03421	0.6
57.07069	1.1
58.23454	0.5
60.05622	1.0
63.47755	0.5
64.30534	0.6
64.71547	0.6
65.03952	0.5
67.05494	2.1
69.03421	3.2
69.07056	17.6
69.07416	1.1
69.61600	5.3
70.06585	3.5
71.04990	0.8
73.88721	0.6
79.05468	1.9
81.07050	6.2
82.06574	1.3
83.04964	1.7
83.08617	3.9
85.02898	3.0
87.04458	1.1
91.05456	11.0
93.07019	3.9
94.06555	1.4
95.04935	1.4
95.08596	5.8
97.02880	5.4
98.03681	0.9
98.21473	1.1
98.98451	32.4
100.66292	0.6
103.05428	1.2
105.07017	23.9
105.12928	0.5
106.06544	0.6
106.07330	0.9
107.04913	1.0
107.08577	5.6
111.04437	2.6
112.07600	1.1
114.09121	0.6
115.03906	2.5
115.05454	0.7
115.09505	0.9
116.07052	1.0
116.97215	2.1
116.99442	1.1
117.06997	2.7
118.06485	1.0
119.04929	0.9
119.08560	75.8
120.08076	1.6
120.08820	1.3
121.10144	2.6
125.02319	1.7
127.03898	1.8
128.06207	1.1
128.07063	1.1
129.05420	1.0
129.07001	1.1
130.06508	23.1
130.08592	7.6
131.08569	3.1
131.99585	0.7
132.04466	4.2
132.05408	0.8
133.10109	59.9
134.10442	2.3
139.03897	1.4
140.07037	2.3
142.07799	0.6
145.10118	4.9
146.10849	0.9
147.04388	2.2
147.06360	1.1
147.08003	2.2
147.11655	10.8
148.07539	3.0
148.09761	0.6
150.96922	0.6
157.06386	0.7
157.07661	1.3
157.10091	0.6
158.05992	12.0
158.08022	0.8
159.11693	0.8
160.05205	1.1
160.12456	2.2
161.04686	1.3
173.13249	1.5
175.03856	1.4
175.05948	2.0
175.07321	6.2
175.11378	4.1
175.14793	100.0
175.98442	1.0
176.03609	0.6
176.07040	14.8
176.09134	5.8
176.10614	1.0
176.15147	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	175.0751
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03929	0.7
55.01870	2.7
55.05504	4.7
56.16506	0.6
59.56402	0.5
60.05650	0.7
65.03936	1.1
67.05495	2.0
68.53201	0.5
69.03433	3.9
69.07057	12.4
70.00194	0.6
70.06585	2.0
70.23103	2.2
70.23508	1.1
74.58383	0.6
78.04697	1.3
79.05062	0.7
79.05477	3.3
81.07037	6.4
82.06590	1.3
83.04990	0.6
83.08619	2.6
85.02888	1.9
87.02684	1.1
87.04460	0.9
91.05464	42.7
92.05775	0.9
93.07032	4.0
94.06564	1.0
95.04958	1.8
95.08614	5.4
97.02876	2.9
98.03648	1.3
98.98447	32.1
103.05444	4.9
104.06234	11.1
105.03387	1.6
105.07016	19.6
105.07709	1.3
107.04936	8.2
107.08603	3.4
107.53426	0.7
109.06517	0.7
111.04395	1.1
112.07642	1.1
115.03899	1.3
115.05434	26.5
115.09496	0.7
116.06213	0.7
116.99491	1.1
117.06998	20.8
118.06493	0.8
118.07243	0.8
119.04881	1.2
119.08561	89.9
120.08920	1.9
121.10165	1.6
127.03914	1.4
127.05385	0.6
128.06197	16.1
129.05519	1.0
129.06989	14.3
130.06499	10.9
130.07382	0.7
130.08635	5.3
131.04924	4.4
131.08514	2.9
132.05687	46.6
132.95905	0.9
133.06042	1.4
133.10101	46.3
134.10466	0.7
137.36014	0.6
143.04924	3.6
145.06456	6.8
145.10092	3.7
146.07137	1.0
147.04341	1.4
147.08023	46.0
147.11659	8.3
148.07423	0.8
148.08475	0.9
150.96982	0.8
155.06029	1.4
157.06458	1.7
157.07561	1.8
157.10083	0.9
158.05992	5.0
160.05174	31.3
160.12491	1.9
173.13309	0.9
175.07510	100.0
175.11292	2.5
175.14792	72.2
176.06854	6.5
176.09163	2.7
176.15131	2.1
189.84618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1486
Annotation	(+)-Muscarine
Peak:m/z	Relative Intensity
50.29131	0.3
55.01855	0.3
55.05483	0.6
55.93478	0.3
57.03416	0.6
58.06587	25.0
59.05000	0.3
59.07370	17.5
60.04470	0.3
60.05624	0.6
60.08154	7.5
66.75542	0.3
68.05024	0.4
69.03406	0.6
69.07078	1.6
69.87777	1.1
69.88197	0.8
70.06590	1.7
70.95836	1.4
72.08131	0.4
72.93756	1.2
73.02892	1.2
73.06543	0.7
73.93812	0.4
74.33425	0.4
82.06561	0.4
83.04950	0.6
84.04498	0.4
84.08118	0.7
85.02895	0.4
86.06023	0.4
86.09691	0.4
87.04465	0.4
88.96870	0.4
90.94787	0.6
91.05496	0.4
96.08072	0.3
97.02853	0.9
97.06493	0.7
98.98447	3.3
100.07599	0.4
110.05954	0.3
111.04404	0.7
111.98426	1.2
112.04715	0.5
114.05499	0.6
114.09148	4.4
115.03899	0.4
116.07024	0.4
118.06509	0.6
128.07027	0.9
128.10712	0.6
129.99498	0.6
130.06506	0.5
132.04445	0.3
132.08035	0.4
132.95799	3.1
146.05951	0.8
146.08083	0.3
150.96864	4.9
155.97382	1.3
168.97394	0.3
173.98508	2.0
174.05528	0.7
174.11328	2.1
174.14864	100.0
175.11856	0.3
175.15193	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.90000	0.4
53.03928	1.6
55.05501	5.3
57.03413	0.5
57.07050	0.7
59.04985	0.9
60.04520	0.4
65.03926	1.4
67.05492	4.2
69.07059	0.7
69.75314	1.7
69.75754	1.8
71.04986	1.0
72.93762	3.0
76.02215	0.7
79.05475	4.0
81.07040	4.6
83.04963	5.3
85.06524	1.5
89.02355	0.6
90.94822	2.7
91.05466	16.1
93.07015	1.9
95.04957	0.7
95.08591	1.5
96.04491	0.5
97.02878	0.6
99.04417	0.7
101.06001	4.3
103.03267	1.1
103.05452	1.3
105.07012	18.1
107.08596	0.7
108.95827	1.0
111.04427	7.6
111.81016	0.5
113.05974	0.9
114.09151	2.3
115.05428	3.1
116.06219	3.6
117.07008	7.6
118.06529	0.6
119.08561	18.6
127.07549	0.8
128.06218	5.9
128.07082	0.5
128.10759	0.5
129.05553	2.7
129.06982	18.1
130.07761	5.0
131.08546	43.1
132.08865	1.0
132.95821	0.6
133.10110	6.9
141.06952	1.1
142.07745	2.7
143.08539	53.4
144.09323	10.5
145.06450	1.1
145.10103	24.6
146.05971	0.8
146.10382	0.5
149.93974	0.6
149.96054	1.1
150.96904	0.7
155.07004	4.6
156.09329	2.7
157.10083	2.1
158.10886	53.7
159.11281	1.2
163.80362	0.5
167.97137	1.3
171.11630	1.5
173.08171	10.4
173.13228	100.0
174.07571	0.9
174.11226	1.1
174.13672	2.9
180.81314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22995	1.2
53.03062	1.3
53.03918	1.3
55.01844	4.9
55.05501	39.0
55.93490	4.9
56.05025	1.2
57.03418	1.7
59.04990	7.5
60.04497	1.8
67.05492	8.2
69.03401	2.8
69.07053	12.0
70.06573	1.9
70.95864	10.3
71.04959	2.8
71.06100	6.3
71.78105	1.7
71.92947	1.4
72.08120	1.8
72.93776	91.5
73.02883	4.4
73.06520	4.5
76.02216	1.7
78.15839	1.2
81.03384	1.7
81.07056	3.2
83.04961	44.1
85.02870	4.4
85.06534	12.1
85.07621	2.5
86.09691	100.0
87.04444	3.4
88.96851	2.0
89.02359	3.9
89.94009	4.4
90.90359	1.9
90.94809	70.2
91.05435	2.0
91.86678	1.3
93.07009	2.0
95.04939	5.8
95.08559	2.1
97.02884	1.9
97.06503	8.9
99.04422	4.1
101.05998	28.1
103.03257	5.1
105.28527	1.5
108.95840	25.5
109.06458	2.9
109.10104	5.8
110.10430	1.3
111.04424	45.2
111.98463	10.5
113.02292	1.7
113.05997	6.0
113.96393	11.8
114.05475	2.0
114.09135	9.4
115.07514	4.0
117.06928	1.8
118.06500	1.5
119.08519	2.1
125.96104	1.7
127.03873	2.3
127.07510	5.0
127.11427	2.0
127.12292	29.7
128.07060	3.8
129.05455	18.2
129.99477	5.5
131.06998	5.3
131.08528	6.3
131.96104	1.6
131.97389	11.5
132.10187	8.6
132.95811	12.4
137.05972	2.3
137.09544	3.6
143.08540	2.2
145.06445	3.1
145.10081	4.0
146.05948	4.9
146.08080	2.2
149.93970	5.0
149.96086	33.2
149.97179	5.8
150.95781	1.9
150.96870	30.4
155.03357	1.6
155.05843	2.8
155.07011	39.0
155.10628	6.1
155.11743	2.1
155.97408	9.9
156.10153	3.6
158.10844	3.2
167.97134	48.6
172.97685	3.5
173.08102	64.8
173.12837	71.9
173.98456	13.2
174.05453	3.7
174.07562	4.0
174.11168	4.0
174.12872	4.5
190.98628	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54611	3.8
55.01850	4.6
55.05504	33.8
57.07051	9.6
67.05466	4.5
68.05026	6.0
69.03400	10.0
69.07034	32.9
71.81184	5.7
72.04507	64.7
79.05481	13.4
80.05001	4.9
81.07075	4.2
82.06554	7.1
83.04974	7.3
83.08619	33.6
84.04491	9.1
89.07142	46.6
89.63921	3.9
92.04961	21.0
93.05779	27.5
95.08590	8.1
96.04472	22.7
96.08102	15.9
97.10164	8.8
100.07625	7.5
106.06554	8.1
107.08578	4.6
108.04426	4.5
110.06035	13.2
111.04430	7.0
111.08065	5.4
124.07586	33.7
125.05985	3.8
126.05481	6.1
128.07027	5.8
134.05946	10.8
135.11671	6.3
142.08617	14.0
143.08540	5.0
146.96095	14.4
151.61760	3.9
152.07019	45.7
170.05969	8.8
170.08095	74.1
170.09633	100.0
170.11809	11.6
170.15343	6.4
171.05460	9.2
171.08015	4.3
171.10017	5.7
171.14914	45.3
180.58080	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	170.081
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
55.01856	1.9
55.05492	1.2
55.93500	0.4
56.05006	1.2
56.96544	0.9
57.03415	0.6
61.02893	0.5
65.03917	0.6
66.03431	0.6
67.05491	0.6
68.05003	0.7
68.99777	0.4
69.03422	1.5
69.07041	0.6
70.06576	0.8
70.50436	0.3
71.02960	0.9
71.80593	0.6
72.04498	1.4
72.08132	0.9
73.02914	0.7
78.34441	0.3
79.05457	1.5
80.05006	0.4
81.03374	0.8
81.05744	0.5
81.07034	1.0
82.01406	0.6
82.06554	1.3
83.04968	0.5
83.08586	0.6
84.04482	2.9
85.02885	1.0
86.06053	0.4
86.52684	1.4
87.04452	0.8
88.96909	0.5
89.07152	0.7
92.04964	0.7
92.52632	0.5
93.05764	0.9
94.06561	0.4
95.04939	0.6
95.53204	2.3
96.03278	0.5
96.04460	1.3
96.05253	0.4
96.06853	0.6
96.08118	3.0
97.02847	0.7
97.06512	0.9
98.06028	0.6
99.09180	0.8
100.02477	1.8
100.07648	0.4
102.02235	0.5
103.02438	0.7
106.06564	1.6
106.07169	0.4
107.03979	0.7
107.04929	1.1
109.02821	0.5
109.07606	0.7
110.06000	1.0
110.07133	1.1
111.00788	0.9
111.04404	0.9
113.02344	0.4
114.05518	5.7
115.03927	0.9
118.03515	1.0
119.01891	1.4
121.03380	0.3
122.06052	0.5
123.06802	0.7
124.03937	0.5
124.07580	7.0
124.08567	0.7
125.05978	0.8
125.07113	0.4
125.10736	0.6
128.07071	0.8
128.95050	2.3
133.03453	0.3
134.05989	52.5
135.06317	1.4
139.00203	2.3
142.03461	0.6
142.03661	0.7
142.04951	8.0
142.05803	0.5
142.08620	1.6
146.96103	2.3
147.01352	0.6
147.04994	1.4
150.05511	0.6
152.07039	100.0
153.05476	0.7
153.07391	3.2
157.01326	2.5
165.06140	0.8
165.97504	0.4
170.04324	0.7
170.06674	1.2
170.08109	22.7
170.09566	3.4
170.11780	1.4
171.02849	0.6
171.11282	1.3
171.14905	0.9
180.77504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1585
Annotation	(E)-2-Undecenal
Peak:m/z	Relative Intensity
53.03931	2.0
55.01863	1.8
55.05503	18.6
55.93495	1.1
56.34664	0.9
56.96550	2.2
57.03416	2.8
57.07069	6.2
59.04985	1.9
65.03925	2.5
67.05495	26.3
68.99738	0.8
69.03413	2.0
69.07056	63.4
71.04983	14.3
71.08614	3.2
71.81192	1.7
73.06538	2.6
79.05473	4.0
81.03399	2.9
81.07043	61.6
82.06573	1.1
83.04929	1.3
83.08607	28.2
84.04485	1.4
85.02892	1.2
85.06537	7.9
87.08106	5.2
88.96852	1.3
91.05469	8.7
92.05025	1.0
93.05804	1.6
93.07033	4.3
94.06573	1.2
95.04950	12.9
95.08592	100.0
96.04469	2.1
96.08121	1.0
96.08932	2.0
97.02898	0.8
97.10188	4.7
98.03690	1.1
99.04455	2.2
99.08068	4.7
105.07016	2.1
107.08571	3.0
109.02855	6.3
109.06506	13.5
109.10140	34.7
110.06017	1.7
110.10428	1.0
111.00780	4.7
111.04460	5.0
111.08063	1.5
111.11716	4.1
113.05988	1.2
113.09586	1.3
114.91441	0.8
123.04388	2.8
123.08054	4.7
123.11704	4.8
124.07589	3.5
125.05988	2.1
125.09572	0.8
126.03123	7.8
127.07594	0.8
128.07057	0.9
128.95076	3.2
133.02821	1.0
133.10120	0.8
137.05983	1.7
141.05446	23.8
141.12712	3.1
142.08633	2.6
146.96140	4.7
151.03870	2.3
151.07556	2.2
151.11214	1.4
151.14801	17.4
152.03380	2.2
152.07039	4.3
152.15125	1.0
155.06987	1.1
169.04941	16.4
169.07506	3.4
169.08638	2.1
169.09915	2.9
169.12192	1.0
169.14522	1.8
169.15852	3.6
170.05994	2.1
170.08101	7.1
170.09630	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	169.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49432	0.7
53.03935	1.9
55.01871	0.9
55.05500	17.8
55.93499	1.0
56.96551	1.6
57.03420	2.1
57.07069	6.5
59.04994	1.8
65.03916	2.2
67.05493	22.5
68.99775	1.3
69.03416	1.4
69.07054	60.0
70.06581	0.8
70.07372	1.0
71.04981	15.1
71.08610	3.3
73.06535	2.3
79.05480	4.2
81.03397	2.1
81.07040	52.9
83.04943	1.6
83.08608	26.3
84.04504	1.5
85.02891	1.7
85.06523	7.8
87.08093	5.9
88.96896	1.1
91.05473	6.3
92.05003	1.4
93.05774	2.2
93.07033	4.9
95.04955	8.9
95.08591	100.0
96.04473	1.5
96.08172	1.0
96.08935	2.1
97.10133	4.4
98.20695	1.1
99.04437	2.5
99.08084	2.3
105.06985	1.6
106.06572	0.7
107.08592	2.4
109.02847	5.0
109.06507	7.7
109.10137	37.7
110.06068	1.3
110.10481	0.8
111.00761	4.1
111.03808	0.6
111.04434	5.1
111.08068	2.1
111.11700	5.1
113.05998	0.8
113.09636	1.0
118.94365	0.8
123.04433	2.5
123.08034	2.3
123.11683	3.0
124.04665	0.9
124.07582	2.8
125.05968	1.5
126.03130	6.1
127.03857	1.1
127.07497	1.0
128.95090	3.0
133.02884	0.7
133.10059	1.0
137.06024	1.2
141.05443	21.8
141.09096	1.0
141.12737	2.0
142.08661	0.9
146.96143	2.8
151.03912	1.8
151.07500	1.5
151.11185	1.6
151.14798	16.1
151.15950	1.3
152.03436	1.3
152.07040	2.8
169.04955	12.6
169.06303	1.3
169.07397	4.6
169.08754	1.5
169.10062	1.9
169.12175	1.3
169.14542	1.2
169.15898	3.6
170.05894	1.1
170.08093	4.7
170.09660	5.3
177.58777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1221
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03924	5.7
54.79215	1.4
55.01857	4.6
55.05508	11.3
55.27323	1.2
57.03418	6.0
57.07069	7.8
57.18443	1.3
58.97566	1.4
59.04742	1.6
59.04997	18.8
65.03934	10.2
67.05494	39.4
68.99786	2.6
69.03408	8.8
69.07053	17.5
70.06583	1.8
70.59051	4.0
71.04982	19.1
79.05477	16.4
81.03409	9.0
81.07043	100.0
82.06519	1.7
82.07375	1.7
83.04976	18.6
83.08592	4.4
85.02868	5.6
85.06519	8.7
85.46480	1.4
87.04434	3.3
90.62724	1.8
91.05453	15.5
92.05013	1.9
92.05753	1.4
93.03369	3.1
93.05750	2.4
93.07024	27.3
95.04947	14.5
95.08588	26.2
96.04433	1.7
97.02891	3.6
97.06512	5.2
99.04446	5.1
99.08070	3.6
105.07011	24.3
107.08578	55.9
107.09305	2.8
108.08812	1.5
109.02845	19.2
109.06504	20.7
109.10134	43.6
110.03702	1.8
110.10451	1.8
111.00780	12.6
111.04427	17.6
111.08075	9.3
113.05997	4.4
115.05438	2.0
119.75130	1.4
121.10116	5.0
123.04410	6.2
123.08060	13.6
123.11687	70.1
124.07557	5.9
124.12034	2.1
125.05974	5.9
125.09604	3.7
126.03111	17.3
127.03870	2.2
127.07563	1.9
127.11205	1.6
128.07057	1.8
128.95027	3.7
133.02838	2.1
133.10107	21.0
134.10455	1.9
141.05434	48.8
141.06889	8.3
142.05772	1.6
146.96080	5.5
151.03949	7.0
151.04936	1.7
151.07539	3.8
151.10025	1.9
151.11156	34.6
152.07008	6.5
153.06972	1.8
154.07707	7.3
163.97528	1.8
169.04930	37.5
169.06381	4.6
169.07521	11.9
169.08742	2.6
169.09958	11.2
169.12212	14.8
170.05881	1.7
170.08070	6.8
170.09636	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	169.1221
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03927	3.9
55.01851	2.1
55.05492	7.8
57.03423	3.1
57.07066	11.5
59.04989	4.8
64.89212	1.2
65.03922	5.9
66.91991	1.4
67.05492	22.0
69.03420	12.0
69.07053	12.3
69.45358	11.1
69.45783	4.4
71.04971	10.0
72.86581	1.3
79.05476	7.0
81.03393	6.1
81.07038	29.2
82.06536	1.5
83.04964	5.2
83.08604	4.7
84.04485	1.8
85.02865	3.6
85.06529	26.0
85.10143	1.7
91.05456	3.6
93.05785	1.7
93.07025	9.8
95.04951	9.5
95.08586	11.5
96.04462	3.1
97.06517	2.2
98.78947	1.3
99.04448	3.9
99.08050	2.0
105.07008	5.0
107.08581	11.9
109.02866	14.9
109.06496	13.5
109.10136	89.3
110.06032	2.1
110.10472	2.4
111.00782	6.1
111.04446	8.1
111.08061	100.0
113.05988	6.8
121.10114	6.5
123.04395	2.9
123.08039	7.5
123.11683	32.0
124.07566	2.6
125.05972	3.7
125.09596	1.5
126.03121	8.7
127.03924	2.1
127.11172	89.2
128.11542	1.9
128.95020	1.8
133.10085	5.6
134.05893	1.5
139.11142	6.6
139.38197	1.4
141.05437	28.7
142.08627	1.5
151.03882	3.4
151.07550	3.3
151.11148	13.3
152.07007	4.6
158.71242	1.4
169.04951	19.8
169.06305	1.5
169.07516	5.5
169.09947	3.4
169.12210	44.2
170.08063	4.7
170.09621	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	169.0492
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
54.30853	0.3
60.76862	0.2
65.62990	0.2
67.05522	0.3
68.99773	2.1
70.96001	0.8
72.87595	0.3
81.03423	0.5
83.04964	0.3
84.04636	0.2
85.02889	0.3
97.02881	1.1
98.03649	2.4
99.04450	0.4
109.02850	1.1
111.00780	18.4
111.04459	0.3
112.01122	0.5
113.05965	0.3
126.03111	26.6
141.05437	100.0
141.86354	0.3
142.05757	2.3
169.04930	55.6
170.05251	1.7
184.78178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0493
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
55.01862	0.5
59.87827	0.4
65.03922	1.1
67.01851	2.9
67.05492	1.9
68.99768	1.9
70.95981	1.2
79.05462	0.5
81.03401	1.0
81.07035	1.2
85.02876	0.7
88.39673	0.4
93.03401	0.5
95.04953	4.2
109.02855	1.7
109.10155	0.6
111.00756	1.1
111.04428	0.9
123.04408	21.9
124.04756	0.6
126.03085	1.4
127.03889	7.7
141.05460	5.5
151.03880	39.1
151.11203	0.4
152.04256	0.9
169.04936	100.0
170.05267	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0493
Annotation	480-66-0
Peak:m/z	Relative Intensity
51.62459	0.3
53.03925	0.6
55.01852	0.7
55.05485	1.3
56.96561	0.4
57.03429	0.6
57.07051	0.7
59.04977	1.0
62.84409	0.4
65.03918	1.3
67.01852	13.4
67.05484	5.1
68.99758	2.2
69.03410	0.5
69.07044	1.7
69.70217	2.2
69.70636	0.7
71.04980	1.4
72.30137	0.4
79.05457	2.0
80.05015	0.4
81.03380	1.3
81.07040	7.6
83.04972	2.8
83.08595	0.4
85.02883	9.9
85.06512	1.3
91.05453	1.3
93.03374	0.7
93.07042	1.9
95.04945	4.8
95.08585	4.4
96.11037	0.4
97.06485	0.5
98.03628	0.5
98.56258	0.3
99.04448	0.7
105.06981	2.0
107.08580	3.4
109.02853	4.1
109.06482	2.2
109.10133	4.9
111.00795	1.8
111.04443	3.0
111.07999	2.1
113.05967	0.5
118.39862	0.4
123.04405	20.9
123.08034	1.5
123.11670	4.3
124.07596	0.6
125.05937	1.3
126.03118	2.5
127.03893	12.2
127.11188	1.3
129.01772	0.4
133.02896	0.4
133.10091	1.5
134.05997	0.4
134.10822	0.5
141.05443	8.8
146.96121	0.5
151.03876	49.2
151.11150	2.3
152.04233	1.1
152.07034	1.0
169.04929	100.0
169.07486	3.5
169.12180	1.8
170.05247	2.6
170.08163	0.7
170.09552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0492
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03930	0.6
55.01849	0.4
55.05495	0.3
67.05476	0.4
67.18722	0.3
68.99772	2.2
71.17371	0.3
71.25600	0.8
74.03922	0.4
78.26670	0.3
81.03410	0.5
81.07054	0.6
83.04956	0.6
85.02882	0.5
95.04949	0.4
95.08617	0.5
97.02861	1.0
98.03648	2.6
105.06960	0.4
109.02875	1.7
111.00784	18.9
111.04424	0.7
113.05994	0.7
114.64224	0.3
126.03109	28.3
127.03433	0.4
129.11295	0.4
141.05437	100.0
142.05795	2.3
151.03870	0.4
151.11186	0.3
169.04932	60.2
170.05255	1.7
170.08115	0.3
182.15991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96735	14.3
69.97149	5.8
79.05479	5.0
93.68128	3.9
94.06561	18.9
94.92984	13.0
96.92802	43.4
106.06545	4.2
122.06031	9.7
130.63025	3.2
134.05997	5.8
145.03430	3.4
150.05479	100.0
151.07498	5.7
152.07069	15.8
154.05013	3.7
155.66869	3.8
156.16252	3.3
168.06470	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0653
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
52.11485	0.2
53.03978	0.9
54.06512	0.2
55.01900	0.7
55.05516	0.3
56.96589	0.5
57.03452	0.5
58.06587	3.2
65.03927	1.7
65.07865	0.3
67.05495	4.6
67.93593	0.3
68.05041	0.5
68.05873	0.2
69.03419	2.7
69.07059	1.3
70.06613	0.9
71.01390	0.2
71.05006	0.3
71.58393	0.3
71.58770	0.3
72.93794	0.3
73.02948	0.4
78.82446	0.2
79.05481	2.1
79.96692	0.2
80.05022	0.7
81.03408	2.3
81.04573	0.3
81.05810	0.3
81.07059	0.6
82.06580	0.5
83.05000	0.6
83.06105	0.4
84.04523	0.5
84.08177	0.5
85.02938	1.0
85.94667	0.3
86.09701	0.4
93.03419	0.3
93.04547	0.5
93.07037	0.5
94.06551	13.1
94.93025	0.3
95.01355	0.3
95.04964	1.9
95.06068	2.2
95.06947	0.3
95.08620	0.6
96.04480	1.6
96.08116	1.5
97.02914	1.0
97.06525	0.6
97.22602	0.2
98.06073	0.8
98.97612	0.3
99.04479	1.0
100.02486	0.5
101.97498	0.2
102.02417	0.4
103.95643	0.5
106.06538	4.1
107.04990	1.0
107.08590	0.3
108.04474	0.9
108.05208	0.3
108.08159	0.5
108.08943	0.2
109.02859	4.1
109.06445	0.3
109.07647	0.3
110.02220	0.2
110.03737	0.3
110.06059	0.5
110.07152	4.8
111.00793	0.7
111.04427	2.1
111.76108	0.3
112.03970	0.4
112.07603	0.5
118.03469	0.4
119.01833	1.2
120.08096	0.3
121.01659	1.8
122.01969	0.7
122.06014	11.3
122.09701	0.3
123.00804	0.8
123.04412	1.4
123.06373	0.3
123.08048	0.5
123.11711	0.3
124.03932	1.1
124.07581	0.9
124.08413	0.3
125.05965	0.7
126.03137	0.8
126.05479	1.6
126.95515	0.3
126.97165	0.3
127.03891	2.6
131.01886	0.6
132.04492	0.3
134.05975	1.8
139.02785	0.6
139.03847	0.6
140.03406	1.5
140.07037	2.1
140.10681	0.7
140.95143	0.4
141.01804	0.3
141.05438	3.2
141.10223	0.6
144.03268	0.8
144.98219	0.3
145.03473	1.7
145.60211	0.4
150.05476	100.0
150.09111	1.6
151.02771	0.3
151.03896	1.5
151.05836	3.1
151.07526	0.6
151.08614	0.5
152.07037	4.4
154.03679	0.3
154.04927	0.6
156.07657	0.4
162.96823	0.3
163.04617	0.4
163.97652	0.6
168.02831	0.9
168.05220	1.0
168.06514	17.1
168.07623	0.8
168.10042	2.0
169.03526	0.5
169.04890	2.6
169.07104	0.3
169.09700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52199	0.5
67.93526	0.7
68.27441	0.6
69.03429	1.5
71.11514	1.9
72.69044	0.5
80.04980	0.7
81.03416	1.8
81.07039	1.0
85.97301	1.8
94.06568	1.1
95.04965	0.6
100.02477	2.2
101.00945	0.6
102.02227	1.5
103.00611	8.3
103.01236	0.9
103.98304	14.7
103.98965	1.1
104.00897	3.6
105.96524	0.5
107.08540	0.6
109.02850	3.1
111.00765	0.8
111.04400	0.9
115.01145	1.1
115.02426	1.0
117.02146	0.9
117.06973	0.5
117.99825	0.6
118.03462	0.8
119.01909	1.9
120.02002	1.8
120.03294	1.0
121.01648	69.9
121.99347	81.0
122.01933	27.9
122.99425	2.8
123.02080	2.0
126.02190	0.9
126.03072	0.8
126.05494	1.0
126.99824	2.6
127.02515	2.2
127.03993	0.9
131.01799	0.6
133.03464	0.8
135.60988	0.6
139.01585	1.2
139.02673	29.8
140.00381	60.0
140.02983	13.3
140.07047	1.1
141.00462	2.0
141.03098	0.7
141.05463	3.1
142.00739	0.9
144.03207	31.8
145.00923	93.9
145.03545	53.8
146.01047	3.3
146.03743	1.2
150.05444	1.7
160.37427	0.6
162.04266	12.1
163.01968	100.0
163.04625	20.0
163.97617	0.7
164.02075	4.0
164.81339	0.6
167.04803	1.6
168.02539	5.5
168.05098	3.6
168.06523	2.5
168.10136	1.1
169.04921	1.7
186.03549	5.0
186.06093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1428
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03928	2.6
55.05500	92.5
57.03417	3.6
57.07053	4.5
59.04998	9.9
67.05494	17.7
68.65870	1.3
69.03417	23.8
69.07048	9.1
70.51648	1.6
71.04967	3.3
71.14755	1.7
71.15089	2.3
79.05473	5.9
81.07040	15.7
83.04964	100.0
83.08603	47.5
84.05299	4.2
84.60659	1.7
85.06526	10.1
89.22330	1.4
91.05479	3.3
93.07011	10.4
95.08612	8.7
97.06480	5.1
97.10162	13.8
99.08042	2.1
105.07035	3.6
107.08572	17.5
109.06477	2.5
109.10139	31.1
111.08062	29.5
112.08837	6.2
113.09607	5.0
121.08364	1.8
121.10128	14.1
122.39777	1.4
123.11678	10.4
125.09611	15.0
139.03894	2.9
149.13254	8.9
167.06978	9.3
167.10721	2.7
167.14296	65.1
168.14720	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.23298	0.7
53.03939	3.5
55.01861	2.7
55.05501	11.7
56.09118	0.6
56.96581	0.7
57.03424	2.2
57.07062	1.5
59.04985	3.4
61.13958	0.6
65.03929	1.9
67.05492	9.6
67.34092	0.7
67.93558	0.8
69.03418	5.8
69.07055	22.4
70.07377	0.7
71.04980	2.5
71.81456	1.4
73.02911	1.2
77.80912	0.6
78.04704	2.3
79.05474	22.2
80.05817	1.0
80.84685	0.7
81.03402	3.1
81.07043	21.8
83.04966	10.4
83.08599	4.3
85.02916	1.5
85.06532	3.2
85.94595	0.9
87.04421	0.8
91.05467	14.0
92.05779	1.6
92.91248	0.8
93.03352	0.9
93.07024	64.9
94.06549	1.6
94.07376	2.1
95.04959	8.9
95.08590	13.6
96.04482	1.3
97.02872	1.6
97.06517	7.8
97.10167	2.2
99.04465	0.8
103.05441	2.5
104.05779	1.8
105.07008	14.6
106.07800	0.8
107.04932	5.3
107.08569	18.8
108.04433	0.8
108.08910	0.9
109.02869	3.0
109.06488	11.6
109.10146	3.0
111.04433	5.4
111.08052	4.6
111.11720	3.2
119.08544	3.0
120.08086	4.4
121.01669	0.8
121.02895	2.2
121.06509	11.3
121.08420	28.1
121.10120	100.0
122.06005	1.7
122.10468	4.3
123.04411	5.0
123.08034	8.8
123.11676	4.8
124.05196	2.0
125.05964	9.5
125.09610	5.6
126.05551	1.8
127.03904	1.3
131.08522	4.4
135.04424	0.7
139.03915	1.2
139.07510	3.1
139.11171	6.3
140.07059	1.5
140.95064	1.3
143.96722	0.9
144.03244	0.9
149.02345	4.0
149.04964	0.7
149.05968	3.1
149.09590	20.0
149.13249	2.0
150.05484	3.5
150.08989	0.9
151.03871	1.2
152.04703	1.2
162.04288	0.9
167.02097	0.8
167.03354	4.4
167.05568	1.8
167.07004	30.3
167.08275	1.4
167.10637	34.7
167.14276	5.2
167.15424	1.4
168.06439	4.8
168.11142	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03927	2.8
55.01850	1.6
55.05500	4.5
57.03428	2.8
57.07057	1.1
58.99579	0.5
59.04995	0.9
65.03928	1.2
67.05489	3.9
67.93550	0.6
68.05037	0.5
69.03423	3.0
69.07048	2.4
70.06606	0.6
71.04967	1.2
71.81589	0.6
75.04465	6.6
77.03882	0.7
78.04699	1.2
79.05476	13.0
79.05914	0.9
81.03419	1.6
81.07040	10.4
83.04973	6.6
83.05450	0.7
83.08608	2.1
84.93792	0.6
85.06535	0.8
85.94613	0.5
91.05463	13.6
93.07028	100.0
94.06537	0.5
94.07366	3.1
95.04949	6.3
95.08573	4.5
96.20221	0.5
96.95393	0.5
97.02859	1.0
97.06521	2.2
97.10137	0.7
99.04435	0.7
103.05461	1.3
105.04460	0.8
105.07019	9.8
106.07800	0.6
107.04928	2.4
107.08575	34.8
108.08900	1.6
109.02863	1.9
109.06515	4.6
109.10142	1.9
111.04462	2.3
111.08064	17.8
119.08568	2.1
120.08105	0.8
121.01711	0.7
121.02823	1.4
121.06520	3.1
121.08395	2.3
121.10126	68.1
122.06021	0.8
122.10445	2.7
123.04421	2.3
123.08047	3.7
123.11696	2.9
124.05157	0.9
125.05952	2.9
125.09602	3.6
126.05508	0.7
131.08551	2.1
137.09631	0.6
139.02826	0.8
139.03894	5.0
139.07518	1.7
139.11148	3.4
140.07030	1.0
144.03226	0.7
146.97429	0.6
149.02301	2.8
149.05910	1.4
149.07024	0.6
149.09584	9.3
149.13249	0.8
150.05466	1.8
151.03877	0.6
152.04700	0.9
152.06030	0.5
167.03409	2.6
167.05623	0.8
167.07011	12.0
167.08435	0.8
167.09149	0.8
167.10649	12.1
167.11981	0.8
167.14259	2.4
168.06544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.71286	0.5
53.03933	2.3
54.89455	0.5
55.01865	2.2
55.05503	14.8
56.96567	1.2
57.03436	1.1
57.07069	1.8
59.04995	3.8
61.69386	0.5
65.03922	0.8
65.94804	0.5
67.05497	4.8
67.93567	1.3
69.03422	4.2
69.07057	38.4
70.06587	1.0
70.07394	0.5
70.25524	2.9
71.04974	1.3
71.83198	0.5
78.03532	0.6
78.04697	1.8
79.05013	1.0
79.05479	17.7
81.03414	2.3
81.07043	13.4
81.07527	0.7
82.07368	0.6
83.04967	5.2
83.08608	4.8
84.96017	1.2
85.02901	0.8
85.06535	0.6
85.94568	0.6
86.69606	0.5
91.05464	13.3
93.07028	76.3
93.65230	0.6
94.06556	1.3
94.07356	2.9
95.04952	5.2
95.08591	12.2
96.04474	1.3
97.02919	0.6
97.06518	7.0
97.10146	1.2
98.06051	1.8
98.09663	1.3
98.98438	0.7
99.04440	0.7
100.11240	2.1
102.94836	1.1
103.05463	1.4
103.95635	0.6
105.04568	0.6
105.07012	16.7
106.04142	0.8
106.07831	1.1
107.04935	2.0
107.08578	8.5
109.02864	3.1
109.06510	4.3
109.10143	2.5
111.04418	1.6
111.08068	2.0
111.11694	8.0
119.08540	3.9
121.01653	1.6
121.02873	1.0
121.06517	4.8
121.08382	2.9
121.10125	100.0
122.06010	1.7
122.09641	0.8
122.10448	4.6
123.04436	4.4
123.08057	7.7
123.11690	1.5
124.05181	1.7
125.05969	2.3
125.09608	1.7
126.05503	2.1
126.09150	1.6
126.97160	0.7
127.03877	1.8
130.06454	0.6
131.08533	1.3
133.07605	1.6
135.04359	0.7
138.06712	0.8
138.68414	0.5
139.02704	0.9
139.03862	1.1
139.07509	1.8
139.08566	0.7
139.11143	4.2
140.07031	1.4
140.95070	0.6
143.96684	1.7
144.03278	1.5
144.98216	0.8
149.02336	3.4
149.05975	1.8
149.09593	19.9
149.13284	0.7
150.05423	3.6
150.09996	0.7
151.03943	0.9
152.04597	0.9
167.03369	3.5
167.05557	1.2
167.07016	21.9
167.08325	1.7
167.10651	48.7
167.14336	1.8
168.06393	3.4
168.11119	1.0
168.13881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03927	2.4
55.01846	1.5
55.05503	5.0
56.96563	0.9
57.03414	3.3
57.07059	3.0
59.04967	1.9
65.03909	2.2
67.05491	18.2
69.03416	9.1
69.07056	4.7
70.03131	0.7
71.04969	1.6
71.79628	1.2
79.05475	11.4
80.04974	1.0
80.05803	1.1
81.03400	3.5
81.07038	22.2
83.04958	3.4
83.08586	3.4
83.93021	1.0
85.02866	2.0
91.05462	33.1
92.05782	2.0
93.07028	10.3
95.04952	29.6
95.08590	20.8
97.06525	0.9
103.05450	5.9
105.03385	1.0
105.06303	1.4
105.07009	14.9
106.07310	1.0
107.04950	5.0
107.08572	32.2
108.04431	1.4
108.08900	1.7
109.02899	1.6
109.06489	18.6
109.10108	6.6
111.04423	1.0
117.06984	2.9
119.01893	8.1
119.04920	41.7
119.08561	29.1
120.04468	1.5
120.05286	2.1
120.08086	67.4
121.06471	3.1
121.10101	8.9
123.04404	6.7
123.08044	28.4
123.11681	20.3
124.08374	1.0
129.06993	0.9
131.04878	2.2
132.05692	1.9
133.02779	4.0
133.06461	0.9
133.70024	0.8
137.03009	4.2
137.04974	1.2
137.05960	5.3
137.09587	6.6
137.13246	4.2
138.05476	1.2
142.03488	7.0
142.96683	4.0
145.10083	1.0
147.04384	100.0
147.08026	15.1
147.11665	10.1
148.04771	5.2
160.04565	2.8
165.01804	2.2
165.05534	7.7
165.06674	1.1
165.07588	1.5
165.09074	14.8
165.12723	65.1
166.04948	5.4
166.08553	6.3
166.13051	2.8
182.34683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03926	0.5
55.05508	3.3
60.69685	0.4
61.02917	0.5
65.03916	0.5
67.05490	1.8
69.03416	1.0
69.07061	2.3
71.01581	1.5
73.78190	0.4
79.05472	2.0
81.03391	1.3
81.07044	5.5
83.04964	1.5
83.08611	3.3
85.06551	0.7
91.05479	4.7
93.07048	2.1
95.04950	100.0
95.08588	3.7
96.05291	2.3
101.00849	0.6
105.07016	3.6
107.08575	10.3
108.88735	0.4
109.06501	19.3
109.10155	1.2
110.06822	0.6
111.01802	0.5
119.01897	3.1
119.04912	7.3
119.08561	4.0
120.04493	0.5
120.08080	3.5
121.10152	2.1
122.07207	0.4
123.08027	1.5
123.11658	1.0
133.02805	0.5
137.02948	1.2
137.05928	1.0
137.09584	1.1
137.13234	1.5
138.05505	0.6
142.03494	2.3
142.96690	2.5
147.04388	15.5
147.05569	0.9
147.08012	0.7
147.11664	9.4
148.04793	0.8
160.04634	0.7
165.01813	0.6
165.04271	0.9
165.05450	1.3
165.09050	3.2
165.12726	66.6
165.98274	0.5
166.05005	1.3
166.07361	0.5
166.08638	1.8
166.13039	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	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
55.05497	0.2
58.84738	0.1
65.03918	0.9
67.05496	0.3
69.03405	0.7
70.18929	0.7
79.05455	0.4
81.07043	0.4
83.04967	0.2
83.89212	0.2
86.92752	0.2
91.05463	18.3
92.05795	0.5
92.14536	0.2
93.07028	0.8
95.04952	1.5
95.08611	0.3
101.00838	0.3
103.05445	0.4
105.06296	0.2
105.06998	0.7
107.04961	0.2
107.08586	0.4
109.02843	0.2
109.06509	0.3
109.10102	0.4
119.01964	1.1
119.04919	41.0
119.08540	1.2
120.05241	1.4
120.08084	1.3
121.06496	0.3
121.10165	0.2
123.04417	1.8
123.08055	0.5
133.02808	0.2
133.06473	0.2
136.66946	0.2
137.02914	0.2
137.05948	0.8
137.09552	0.4
138.05492	0.2
142.03452	1.0
142.96704	0.3
147.04379	100.0
148.04730	4.6
160.04565	0.3
165.01773	0.2
165.05463	2.8
165.09074	1.2
166.04933	0.8
166.08614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00483	0.2
53.03931	0.3
55.01861	0.4
55.05491	0.7
57.03432	0.3
58.09011	0.2
59.83825	0.2
61.33232	0.2
63.02346	0.2
65.03928	0.9
65.04942	0.2
66.83189	0.2
67.05489	1.5
68.99741	0.2
69.03415	1.6
71.42074	0.4
79.05486	1.1
80.04993	0.3
81.03405	0.6
81.07048	1.7
83.04974	0.5
85.02897	0.5
91.05462	20.1
92.05804	0.6
93.07023	1.2
95.04959	2.6
95.08588	1.1
97.52839	0.2
101.00868	0.2
103.05439	1.0
104.30116	0.2
105.03351	0.4
105.07014	1.5
107.04909	0.5
107.08562	1.5
108.04427	0.4
109.02856	0.4
109.06511	1.1
109.10153	1.1
117.06954	0.3
118.04223	0.2
119.01927	2.3
119.04919	40.1
119.08557	3.2
120.05199	1.5
120.08083	7.2
121.06477	0.7
121.10117	0.4
123.04388	2.8
123.08038	1.8
123.11707	0.4
133.02821	0.8
133.06512	0.3
136.07550	0.2
137.02937	1.2
137.05925	1.3
137.09599	1.5
138.05505	0.3
142.03450	1.9
142.96671	0.7
143.03497	0.2
147.04378	100.0
147.11662	1.0
148.04736	4.5
160.04503	1.1
165.01811	0.4
165.05499	3.3
165.06805	0.3
165.07603	0.4
165.09076	2.8
165.12732	1.8
166.04953	1.2
166.08585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.01857	0.2
55.05497	0.2
58.84738	0.1
65.03918	0.9
67.05496	0.3
69.03405	0.7
70.18929	0.7
79.05455	0.4
81.07043	0.4
83.04967	0.2
83.89212	0.2
86.92752	0.2
91.05463	18.3
92.05795	0.5
92.14536	0.2
93.07028	0.8
95.04952	1.5
95.08611	0.3
101.00838	0.3
103.05445	0.4
105.06296	0.2
105.06998	0.7
107.04961	0.2
107.08586	0.4
109.02843	0.2
109.06509	0.3
109.10102	0.4
119.01964	1.1
119.04919	41.0
119.08540	1.2
120.05241	1.4
120.08084	1.3
121.06496	0.3
121.10165	0.2
123.04417	1.8
123.08055	0.5
133.02808	0.2
133.06473	0.2
136.66946	0.2
137.02914	0.2
137.05948	0.8
137.09552	0.4
138.05492	0.2
142.03452	1.0
142.96704	0.3
147.04379	100.0
148.04730	4.6
160.04565	0.3
165.01773	0.2
165.05463	2.8
165.09074	1.2
166.04933	0.8
166.08614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03931	0.6
55.01860	0.4
55.05505	0.6
55.79163	0.3
65.03929	1.1
67.05485	1.2
69.03413	1.2
70.13065	1.6
79.05486	1.4
81.03423	0.5
81.07053	1.7
83.05003	0.5
85.02907	0.4
91.05466	20.2
92.05811	0.5
93.07021	0.9
95.04945	3.1
95.08594	1.0
95.58559	0.3
101.92162	0.3
103.05470	0.6
105.07034	1.2
105.68681	0.3
107.08577	1.1
109.06490	0.9
109.10121	0.7
111.04393	0.3
115.46591	0.3
119.01922	1.8
119.04926	42.7
119.08555	1.6
120.04532	0.3
120.05219	2.0
120.08083	2.7
121.10119	0.4
123.04414	2.3
123.08068	1.0
133.02841	1.2
133.06441	0.8
137.02905	0.9
137.05952	1.3
137.09604	1.6
142.03513	2.0
147.04387	100.0
147.11662	1.2
148.04745	4.3
151.07506	0.3
160.04489	0.7
165.05531	3.2
165.09073	2.0
165.12706	1.1
166.04991	0.6
166.08574	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21822	0.5
53.03944	1.2
67.05489	0.7
69.03407	0.9
70.73420	2.0
73.47701	0.6
82.01436	1.2
82.99825	1.5
85.60887	0.6
88.30424	0.6
91.05462	10.5
93.07018	1.2
95.01291	0.9
95.04949	42.8
96.05315	0.7
98.96439	0.6
100.02493	2.9
101.00861	18.8
102.00937	0.7
103.05459	2.9
105.04524	0.9
109.06491	1.5
112.97287	0.6
115.02373	0.8
118.03507	1.5
119.01897	100.0
119.04915	37.5
120.02006	2.9
120.08109	1.2
121.02299	0.7
121.06462	0.9
123.04408	73.7
124.02418	4.4
124.04747	0.9
127.03881	0.7
133.03407	1.2
137.02936	33.2
137.05934	1.2
138.03081	1.1
141.05081	0.7
142.03476	81.9
143.03551	4.7
147.04381	18.5
155.39104	0.7
160.04529	29.4
161.02972	1.6
161.04634	0.9
165.05261	4.0
165.07474	0.7
165.08995	0.7
166.08606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97537	3.5
82.99843	1.1
86.00118	0.5
86.28420	0.6
97.41038	0.6
100.02472	1.2
101.00856	18.8
101.01514	1.0
102.00976	1.2
105.09063	0.6
114.43389	0.6
118.03473	0.7
119.01901	100.0
120.01973	3.8
121.02303	0.8
121.52137	0.6
124.02433	4.5
137.02934	32.9
138.03065	1.3
142.03476	96.1
143.03595	3.0
145.64128	0.6
160.04529	30.7
161.04620	1.4
165.05095	3.1
168.56573	0.6
174.45210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58541	0.7
53.00312	0.9
53.03931	3.1
54.30571	0.7
55.01849	0.8
55.05501	4.0
57.07062	2.5
63.02359	1.1
65.03937	1.3
67.05495	1.4
69.03419	4.3
69.07062	4.8
69.48724	7.3
79.05480	14.8
81.07024	2.7
81.46600	0.7
83.04983	0.8
83.08587	0.9
85.02889	2.0
89.03899	34.8
90.04233	1.6
91.05465	18.6
93.07024	43.1
95.04947	5.5
95.08571	2.3
99.04466	0.9
103.03909	1.7
103.05449	5.4
105.04494	1.2
105.06999	12.6
107.04943	9.9
107.08572	88.9
108.08910	2.3
109.06494	4.5
117.03352	34.3
117.06982	2.6
118.03678	1.0
119.06026	1.7
119.08570	9.1
120.09305	2.2
121.06493	2.4
121.09239	1.2
121.10121	18.9
123.08098	1.2
124.77757	0.7
127.03928	0.8
130.07736	1.4
131.04890	5.2
132.08078	1.0
133.02841	1.5
133.10085	0.8
135.04391	64.9
135.08015	2.2
135.11664	100.0
136.04716	2.0
136.12029	2.8
137.09645	0.8
145.02824	29.9
145.10094	4.5
146.03183	1.8
163.03873	82.8
163.07480	4.7
163.11154	19.6
163.12178	0.5
163.14789	5.1
164.04204	2.8
164.07013	1.2
164.11536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.6
53.80267	0.8
55.01857	0.9
55.05490	3.5
57.07048	2.8
59.66177	0.8
60.71331	0.7
65.03929	1.0
67.05482	1.3
69.03413	4.5
69.07056	6.0
70.83815	1.8
70.84210	1.3
79.05478	18.4
81.03408	1.3
81.07025	1.8
81.39192	1.0
83.08637	0.8
85.02888	2.2
89.03901	44.7
90.04227	1.4
91.05462	17.8
93.07027	42.4
95.04951	5.7
95.08588	2.1
97.14722	0.8
99.04443	2.2
103.03885	1.6
103.05430	7.4
105.03388	1.1
105.04486	1.5
105.06998	14.4
107.04942	11.6
107.08570	98.8
108.08911	2.8
109.06480	4.6
117.03356	36.7
117.06991	3.3
119.08565	10.4
120.09364	2.1
121.06498	2.6
121.09261	1.7
121.10120	18.8
130.07747	0.9
131.04912	6.0
132.08046	1.5
133.02795	1.4
133.10106	1.3
135.04388	81.7
135.08043	2.4
135.11665	100.0
136.04709	2.9
136.11984	3.0
137.09546	1.6
145.02815	33.5
145.10124	5.6
146.03125	1.9
148.49937	0.9
163.03868	87.1
163.07466	6.3
163.11148	19.3
163.12425	1.9
163.14836	4.5
164.04205	2.8
164.07086	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02362	0.5
53.00294	1.2
53.03935	2.7
53.10190	0.3
55.01863	2.2
55.05501	0.9
57.03430	0.9
57.07056	1.6
65.03927	0.8
67.05498	1.2
69.03416	1.6
69.07072	0.4
69.69209	2.5
71.04979	0.4
72.08144	0.4
73.02881	0.6
75.87078	0.3
77.03934	0.9
79.05478	19.1
80.05814	0.3
81.03404	0.9
81.07040	1.5
84.08114	0.8
85.02888	1.6
89.03902	7.0
89.06014	1.3
89.98574	0.3
91.05461	13.0
92.02621	0.4
93.07003	2.6
95.04951	8.8
95.05560	0.5
95.08575	0.8
97.02893	0.6
98.01296	0.3
98.09648	0.4
98.20647	0.6
98.97529	0.4
99.04413	0.7
100.02464	0.6
102.04671	0.4
103.04008	0.8
103.05447	21.0
104.05761	0.4
105.03398	0.8
105.04488	1.3
105.07013	21.2
106.06551	0.8
106.07304	0.8
107.04934	100.0
107.08577	6.6
108.05270	2.8
109.06499	0.9
115.05435	12.9
116.06281	0.5
117.03350	5.6
117.07004	4.0
118.03512	0.5
119.01791	0.4
119.04942	1.3
119.06021	0.5
119.08529	0.3
120.05700	4.4
121.06493	1.7
121.10123	1.1
121.95606	0.4
127.03899	0.6
130.06506	1.3
131.04904	12.1
132.05231	0.5
132.08073	1.3
133.02821	4.0
133.06454	0.4
135.04395	15.7
135.08026	39.0
135.11678	1.1
136.03809	0.3
136.07471	0.5
136.08374	1.4
145.02829	6.9
145.03914	0.7
145.04939	0.3
145.06454	1.0
145.07538	0.5
145.10103	1.0
148.05067	0.6
157.60251	0.3
163.03876	37.9
163.07510	28.6
163.09564	0.4
163.11139	3.5
163.12312	2.0
163.14816	1.4
164.04407	1.6
164.07018	1.5
164.08163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0751
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.55459	0.7
52.97686	0.6
53.03933	3.7
55.01858	2.3
55.05505	8.1
57.03416	0.7
57.07066	13.5
66.75316	0.7
67.05494	1.5
69.03430	3.6
69.07058	1.8
71.04996	0.7
71.56832	1.2
72.08154	1.4
73.02913	0.8
77.03902	1.8
79.05478	11.6
81.03393	1.4
81.07039	2.1
83.01283	0.8
83.04958	0.8
83.08621	2.0
85.02892	3.8
89.03901	13.5
89.06013	11.8
91.05470	9.7
92.02581	0.8
93.03411	1.1
93.07021	6.8
95.04929	7.5
95.08598	1.1
97.02867	1.2
99.04430	4.1
100.02454	0.8
101.09648	2.4
103.03996	3.6
103.05446	80.2
104.05775	3.0
105.03366	2.5
105.04526	1.3
105.07002	6.7
106.06561	1.7
107.04931	15.1
107.07043	2.7
107.08569	16.1
109.06453	1.3
115.05423	3.4
117.03354	11.7
117.05517	1.9
117.07001	5.4
118.03557	1.3
119.04926	1.6
119.05891	0.9
119.08570	6.2
120.08070	1.1
121.06471	5.0
121.10115	5.7
127.03889	2.3
130.06480	2.9
130.07759	1.3
131.04903	100.0
132.05234	3.4
132.08067	4.4
133.02843	8.7
133.06479	1.2
135.04388	31.8
135.05443	1.6
135.08014	12.5
135.11681	5.5
136.04736	1.4
136.07524	3.2
136.08429	1.0
145.02837	12.0
145.03871	1.0
145.06461	3.2
145.07568	0.7
145.10092	5.0
161.02919	2.2
163.03873	87.3
163.07506	57.8
163.11124	22.3
163.12306	4.0
163.14818	2.9
164.04222	3.4
164.06868	5.0
184.50513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.4
53.03933	1.3
57.03420	0.4
63.02366	1.3
69.03415	0.9
71.02737	0.8
71.03075	1.0
77.03912	0.5
79.05480	8.4
85.02879	0.9
89.03903	52.4
90.04225	0.4
91.05456	0.9
95.04943	2.7
96.09814	0.4
97.02973	0.6
99.04436	1.0
103.05456	1.1
107.04939	12.1
117.03360	49.1
118.03676	1.2
130.06462	0.6
131.04921	1.1
132.08069	0.7
133.02823	0.9
135.04393	88.7
136.04689	2.9
145.02829	41.9
145.03825	1.4
146.03178	1.2
163.03877	100.0
163.07544	1.6
163.11072	1.0
164.04227	3.3
164.65298	0.4
175.35971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0599
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
53.03934	7.6
55.01857	1.9
55.05509	1.7
57.03412	1.8
57.07054	4.3
61.02909	1.6
66.78545	0.9
69.03403	4.0
69.07058	1.0
71.04972	8.1
73.02901	1.5
77.03893	1.4
79.05477	10.2
79.71702	1.1
81.03405	15.0
81.07021	2.4
81.42740	1.1
85.02888	41.4
89.03909	10.6
89.06005	2.5
91.05453	9.1
93.07043	6.7
95.04948	5.7
97.02883	2.0
99.04436	74.1
101.09609	1.4
103.03924	100.0
103.05405	12.3
104.04236	1.5
105.03382	2.5
105.07009	4.5
106.06540	1.1
107.04942	7.4
107.08578	14.9
109.02879	5.8
109.06446	1.4
115.05437	2.8
117.03357	9.9
117.05714	1.3
117.06991	7.5
119.04939	1.2
119.08584	2.6
120.08073	1.2
121.06492	4.5
121.10109	3.8
127.03890	53.6
130.06517	2.9
131.04903	17.7
132.08060	5.4
133.02803	8.9
135.04398	31.1
135.05402	1.4
135.08015	11.0
135.11652	4.0
140.98592	1.2
145.02824	8.2
145.04933	3.6
145.06462	4.2
145.10098	3.1
163.03874	75.3
163.07495	12.1
163.08661	1.5
163.11137	11.8
163.12303	5.2
163.14803	1.9
164.04224	2.8
164.07045	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	163.0386
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.54914	0.4
52.03139	0.4
53.03932	1.5
54.20417	0.4
55.01860	0.5
55.05491	1.0
57.07061	0.6
63.02365	1.3
69.07057	1.8
77.03909	0.5
79.05016	0.6
79.05478	10.0
89.03901	59.0
90.04207	1.0
91.05460	1.7
93.07021	2.7
95.04948	3.1
95.08560	0.6
103.05472	0.8
105.04505	0.5
105.06983	0.9
107.04934	13.6
107.08572	8.0
109.06547	0.4
117.03358	51.4
118.03690	1.5
119.08564	1.0
121.10117	4.9
130.06442	0.5
131.04883	0.7
135.04390	96.9
135.11662	3.6
136.04735	2.5
145.02821	46.4
145.10126	0.9
146.03134	1.2
158.06030	0.6
163.03871	100.0
163.11108	1.9
163.14777	2.7
164.04184	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	163.0387
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03941	0.6
63.02370	1.3
65.61217	0.4
71.25906	1.4
78.52707	0.5
79.05483	7.9
89.03902	54.1
95.04945	2.5
104.79404	0.4
105.04458	0.6
107.04940	11.7
117.03362	46.2
118.03699	0.9
135.04393	90.1
136.04768	2.2
145.02827	47.2
146.03171	1.4
163.03877	100.0
164.04211	3.3
176.19295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03946	0.6
63.02375	1.2
64.67056	0.4
69.03413	0.7
70.33702	1.6
77.03918	0.4
79.05482	6.2
85.02902	0.7
85.03406	0.3
89.03903	40.4
90.04248	1.6
91.05451	0.9
95.04964	2.2
95.87664	0.3
103.05462	1.0
105.04508	0.5
105.07011	0.4
107.04939	9.9
107.08573	0.6
108.05267	0.5
112.20158	0.4
117.03360	36.0
118.03707	1.1
118.68181	0.4
122.03616	0.5
125.29107	0.3
129.04485	0.3
131.04935	1.3
132.02031	1.5
132.08023	0.5
133.02861	0.4
135.04393	69.7
136.04720	2.3
145.02827	34.3
145.03821	1.2
146.03180	1.3
163.03876	100.0
163.12296	0.5
164.04237	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	162.1122
Annotation	L-Carnitine
Peak:m/z	Relative Intensity
51.90783	0.4
53.98868	0.3
54.93610	0.3
55.05501	4.1
56.04996	0.5
57.03428	2.0
58.06584	0.9
59.07358	0.5
60.08153	27.5
70.06581	0.6
72.04517	0.6
72.08141	0.6
73.06543	4.4
82.18739	0.4
83.08577	0.4
84.04493	1.3
84.08126	3.4
85.02887	14.7
89.20242	0.4
90.05534	3.5
98.06044	0.9
98.20652	1.0
100.85855	0.4
102.05518	0.5
102.09164	21.0
103.03923	34.9
104.04229	0.5
116.07061	0.5
158.05795	0.4
162.11229	100.0
163.11627	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	163.0386
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03932	1.4
63.02374	1.5
70.33414	0.4
71.11268	0.9
71.11605	1.0
77.03917	0.6
79.05479	9.1
89.03899	59.4
90.04234	1.5
91.05462	0.8
95.04937	3.2
105.04460	0.6
107.04926	14.4
112.57998	0.6
117.03356	53.7
118.03693	1.8
133.34167	0.5
135.04385	100.0
136.04741	3.0
140.68094	0.5
145.02818	45.5
146.03181	1.7
158.05975	0.7
163.03873	95.9
164.04179	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	161.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95118	0.3
63.17893	0.2
63.19345	0.2
68.42231	0.2
69.21928	0.2
71.35459	0.3
71.35787	0.4
72.08149	0.3
74.59131	0.2
82.99821	0.6
83.04945	0.5
84.05305	0.2
85.08759	0.2
97.08425	0.2
99.90449	0.2
100.02460	0.3
100.41547	0.2
101.00859	13.3
102.00929	1.1
103.02394	1.0
105.07026	0.4
107.05244	1.1
107.55334	0.2
111.04436	1.5
114.09146	0.9
115.09483	4.5
116.05765	3.7
116.55851	0.5
118.03523	0.3
119.01895	100.0
119.95690	0.2
119.98750	0.4
120.01975	7.8
121.01610	1.3
121.02386	0.2
121.03436	0.6
125.02444	0.3
125.06272	0.2
127.56548	0.7
129.04709	0.6
133.03499	0.2
137.02930	43.6
137.99782	0.7
138.03011	3.6
138.05183	0.4
139.02625	0.3
142.03467	3.5
143.01927	0.4
143.03621	4.5
144.03214	1.4
144.23911	0.2
147.05005	0.4
160.04536	0.8
161.02933	6.1
161.04617	2.3
161.09996	2.7
162.04298	0.4
178.62422	0.2
179.03976	9.7
180.04108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0809
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
50.47861	0.4
55.01856	3.0
56.96535	1.1
57.03395	1.4
57.93530	0.5
60.04491	0.5
67.05470	0.6
68.04997	0.8
69.03382	0.6
69.07063	2.0
70.06576	26.9
70.40308	1.6
71.04964	0.5
71.06886	0.9
76.93331	1.5
79.05470	0.6
80.04990	0.6
81.03394	0.8
81.05760	1.1
82.06549	0.5
83.04969	0.6
84.04479	4.6
84.08113	1.4
88.60186	0.5
94.06545	17.7
94.94411	0.5
95.04923	0.8
95.07324	4.2
95.08588	0.5
96.04473	20.2
96.08109	6.6
97.02846	0.5
98.06031	13.5
98.97565	4.5
102.05527	0.7
102.09191	0.8
110.05978	0.5
112.07580	17.7
114.05505	19.5
114.06312	1.0
116.07070	4.6
116.97225	3.9
116.98593	4.2
117.95964	1.1
122.05999	5.5
130.06488	1.8
130.08585	1.0
131.99423	0.4
134.95798	0.6
134.99622	3.2
138.05479	1.4
140.07034	100.0
141.01808	1.9
141.07373	1.9
142.06479	0.5
147.05821	0.8
148.98686	0.5
149.06598	0.5
152.96922	1.5
158.08109	40.1
158.09578	5.4
158.15367	1.3
159.08424	0.8
175.98521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05510	0.3
56.05022	0.6
58.06573	0.3
67.05486	0.3
68.05016	0.8
68.71195	0.2
69.03434	0.3
70.06568	0.4
71.25253	0.8
72.08143	1.2
73.02898	0.3
74.09708	2.2
80.58878	0.3
81.04531	0.8
82.01459	0.2
82.05300	2.0
82.06568	0.5
83.05002	0.5
83.06091	8.6
84.08157	0.2
85.07645	1.5
86.06065	0.3
92.66451	0.2
93.04513	6.1
95.06075	7.2
96.06428	0.4
97.02868	0.4
100.02494	0.4
101.00866	0.6
101.02530	0.3
110.07143	100.0
111.04434	0.4
111.05553	1.5
111.06841	0.4
111.07465	1.6
118.03559	0.4
119.01899	3.3
120.01943	0.3
125.07081	0.6
128.07033	0.4
130.06277	2.6
133.01682	0.3
133.03444	0.4
137.02940	1.3
138.05452	0.9
138.07869	0.3
138.09053	0.5
139.03918	0.2
139.06609	0.3
142.03485	1.9
150.96887	0.6
156.04185	13.4
156.06479	1.0
156.07649	12.5
156.08994	0.5
156.10129	1.2
157.04634	0.4
157.06091	0.3
157.07841	0.3
160.04530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0766
Annotation	L-Histidine
Peak:m/z	Relative Intensity
55.01862	2.1
55.05502	0.6
56.05024	0.5
57.03445	0.3
58.06590	0.8
58.99843	0.3
65.03927	0.4
67.01854	0.6
67.05499	1.0
68.05032	1.0
69.03410	0.5
69.07040	0.3
70.06598	0.3
70.95858	2.1
71.01341	0.2
71.02972	0.9
71.04978	0.3
71.78369	0.3
72.08144	1.7
72.93784	1.6
73.02895	0.3
74.93813	0.9
78.52943	0.7
81.04517	0.7
82.01434	0.7
82.05307	2.4
82.06556	0.7
83.04974	0.9
83.06089	8.9
84.04449	0.3
84.08128	0.5
85.02879	0.2
85.06506	0.3
85.07651	1.9
86.06055	0.4
86.09698	1.9
87.53468	0.5
88.96900	0.7
90.03770	0.2
90.85555	0.2
90.94822	0.3
92.52678	0.6
93.02753	0.2
93.04513	6.3
95.01308	1.0
95.05011	0.4
95.06079	6.6
96.01677	0.2
96.04475	0.5
97.02891	0.3
98.09676	6.7
99.04443	1.1
100.02469	3.3
101.00864	0.8
101.02433	0.3
101.53182	0.4
106.01998	0.4
110.07146	100.0
111.00781	0.3
111.04416	0.9
111.05544	0.8
111.06815	0.3
111.07479	2.2
111.08119	0.4
111.98449	1.1
113.53173	0.6
114.03995	0.3
114.05500	0.2
115.02518	0.3
115.96415	1.3
118.03514	1.9
119.01918	3.0
120.02008	0.3
121.06491	0.3
127.03877	0.6
128.07088	0.5
129.99522	0.6
130.06407	0.2
131.01927	0.2
132.95821	2.0
133.01549	0.2
133.03424	0.7
133.97447	0.6
137.02945	1.1
138.05478	2.8
138.06525	0.3
138.09163	0.3
139.03920	0.3
142.03470	1.8
143.03555	0.2
150.96861	6.7
151.04495	0.3
151.97066	0.2
155.97462	0.6
156.03015	0.3
156.06538	1.5
156.07660	14.5
156.10175	0.9
156.13811	2.2
156.14949	0.4
157.01317	0.4
157.04980	0.4
157.07599	1.4
160.04497	0.5
168.97998	0.2
173.98454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	trans-p-Menth-8-en-7-ol
Peak:m/z	Relative Intensity
53.03946	1.1
55.01865	1.0
55.05499	19.4
56.05838	0.6
57.03420	2.4
57.07063	5.5
59.05001	1.0
65.03922	2.0
67.05491	48.9
67.50728	0.5
68.04995	0.7
68.05819	0.5
69.03425	1.3
69.07055	34.2
70.95849	1.6
71.04977	2.2
71.08624	1.1
71.81094	0.9
72.93774	51.9
73.06547	0.8
73.93811	1.3
74.06062	2.2
79.05480	6.8
80.06304	0.5
81.03391	0.8
81.07039	81.1
82.06571	2.4
82.07363	2.0
83.04967	4.9
83.06078	0.5
83.08608	7.8
84.04472	1.1
84.08118	1.2
85.02883	1.1
85.06522	6.6
86.06068	3.0
86.09688	0.7
88.96911	0.6
90.94810	13.0
91.05436	0.9
93.07030	3.7
94.06546	0.6
95.04963	3.1
95.08587	100.0
96.04478	0.7
96.08945	3.3
97.06473	0.6
97.10184	0.7
98.98442	1.7
99.04431	1.5
99.08083	0.8
100.07584	0.9
100.11229	8.6
108.95838	2.7
109.02864	1.2
109.06490	2.0
109.10120	3.9
110.02356	1.1
110.06017	2.0
110.07139	6.3
110.09651	0.5
111.04424	4.4
111.08078	0.8
111.98460	1.4
113.02386	0.4
113.05976	2.1
113.96375	32.4
114.05559	0.7
114.96568	0.5
123.04388	0.9
127.03889	1.4
127.07510	2.2
128.07024	1.5
129.99471	0.6
131.97411	34.7
132.95787	2.0
132.97476	0.9
135.83522	0.4
137.02252	1.3
137.05934	1.6
137.09584	1.0
137.13206	4.5
138.05458	2.3
138.09088	0.6
149.97176	1.1
150.96852	7.5
154.98981	5.0
155.03409	3.4
155.04472	0.7
155.07014	8.7
155.08278	1.8
155.10579	1.2
155.14217	1.4
155.97401	1.0
156.06490	3.7
156.07857	2.2
156.10144	1.1
156.13800	2.4
173.98486	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.03934	1.1
55.01857	1.1
55.05503	16.9
57.03421	2.2
57.07066	3.5
59.04995	0.6
65.03936	1.7
67.05494	46.8
68.05805	0.9
68.99790	0.6
69.03410	1.1
69.07059	31.3
70.06580	0.5
70.07389	0.8
70.29317	2.0
70.95850	2.0
71.04970	2.1
71.08630	1.5
72.93778	45.2
74.06055	2.0
74.72656	0.5
79.05482	7.3
79.31425	0.5
80.84333	0.5
81.03407	0.8
81.07043	75.9
82.06568	2.1
82.07363	3.4
83.04563	0.5
83.04971	3.2
83.08596	6.2
84.04504	0.7
84.08129	0.8
85.02895	1.1
85.06533	5.8
86.06047	2.3
88.96906	0.7
90.94809	10.2
90.95329	0.9
91.05457	0.8
93.07025	3.2
95.04954	3.4
95.08590	100.0
96.08936	3.0
97.06483	0.7
97.10153	0.9
98.98461	1.9
99.04439	1.4
99.08074	0.6
100.11234	6.9
108.95844	2.2
109.02888	0.7
109.06489	2.3
109.10129	3.8
110.02388	0.6
110.06036	2.5
110.07132	3.5
111.04446	3.3
111.08064	0.7
111.98464	1.4
113.06013	1.2
113.96381	31.4
117.00968	0.5
119.72295	0.6
123.04407	0.9
127.03898	1.1
127.07531	1.5
127.08585	0.5
128.07043	1.2
131.97418	28.4
132.95816	2.6
132.97517	0.6
137.05969	1.3
137.09587	0.9
137.13252	4.4
138.05476	1.9
149.97191	0.7
149.98456	0.6
150.96854	6.7
154.99008	3.7
155.03349	1.9
155.07036	4.6
155.10611	0.9
155.14258	1.8
155.97418	0.6
156.06509	2.8
156.07967	1.1
156.10172	1.8
156.13750	2.6
167.02605	0.5
173.98500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
53.00295	2.5
53.03940	1.7
54.44751	0.6
55.01865	1.8
55.05505	12.5
56.96542	0.8
57.03437	1.5
57.07067	100.0
58.07405	2.0
59.05004	1.6
65.03929	2.2
67.05496	34.4
68.05016	1.0
69.03419	1.9
69.07059	14.7
69.53057	1.3
69.53460	6.0
70.06593	1.1
71.01356	0.7
71.04993	2.9
71.08621	79.5
72.08971	2.3
72.93779	47.9
73.02898	1.3
73.07630	0.8
79.05472	5.2
81.03416	1.7
81.07046	48.8
82.06573	5.5
82.07381	1.9
83.04964	6.4
83.08607	2.1
84.04492	2.9
84.08150	1.3
85.02916	0.9
85.06532	4.5
85.10174	25.6
86.06071	2.3
90.94815	16.3
91.05492	0.9
93.07036	3.3
95.04966	3.3
95.08592	51.5
96.04520	2.0
96.08133	1.1
96.08943	2.1
97.06525	1.9
97.10192	1.7
98.98476	4.0
99.04481	2.1
99.08098	1.3
103.07059	0.8
108.95867	3.9
109.02853	1.0
109.06498	4.2
109.10161	3.9
110.02413	1.1
110.06027	5.0
110.07141	4.5
110.09694	0.9
111.04430	4.7
111.08064	1.6
111.61432	0.7
112.07607	1.1
113.06031	3.0
113.96386	30.8
114.05538	1.7
114.96555	0.8
119.08572	0.9
123.04517	1.0
127.03933	2.2
127.07578	3.1
127.08663	0.8
128.07050	3.7
129.05499	0.9
131.97420	38.0
132.97659	0.7
135.61357	0.7
137.05960	3.5
137.09636	1.1
137.13268	1.0
138.01825	1.2
138.05461	4.9
138.06299	0.6
140.15414	0.6
149.97224	0.9
150.96939	2.2
154.99001	10.6
155.00040	0.7
155.03416	5.0
155.05446	0.7
155.05737	1.0
155.07037	9.9
155.08278	2.5
155.10632	1.2
155.14316	1.6
155.15495	0.7
156.02963	1.3
156.06467	6.1
156.07722	0.9
156.10222	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	155.1428
Annotation	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
53.03925	0.5
55.01862	0.9
55.05501	3.6
55.11684	0.5
57.03427	1.9
57.07065	100.0
58.07399	2.0
65.03934	6.6
67.05493	6.7
69.03423	1.7
69.07064	2.0
69.75217	0.5
70.95858	3.1
71.04996	2.6
71.81459	0.8
72.93774	18.8
73.02871	0.6
77.94332	0.5
79.05490	1.3
81.03402	1.6
81.07044	9.0
81.07473	0.8
82.06573	1.4
82.07353	0.8
83.04958	3.2
85.02909	0.7
85.06529	19.8
86.06076	0.7
88.96912	0.7
90.94807	4.8
91.05461	1.0
93.03403	2.2
93.07026	0.8
95.04942	3.2
95.08586	8.4
96.04473	0.6
97.06519	1.5
98.98454	1.2
99.04436	2.4
99.08064	1.2
109.02908	1.6
109.06503	3.6
109.10123	5.7
110.02413	0.6
110.06049	1.9
110.07186	2.6
111.04425	18.5
111.08067	0.5
111.98444	1.0
112.04796	0.6
113.06033	2.0
113.09629	0.7
113.96378	11.1
117.69126	0.6
122.92202	0.5
127.03906	1.4
127.07571	1.3
128.07045	0.6
129.99522	0.8
131.97420	10.3
132.95840	3.0
137.02316	4.4
137.05983	2.1
137.09627	2.4
137.13272	1.7
138.05507	1.3
141.06987	1.1
149.97160	0.5
150.96863	6.7
150.97948	0.5
154.99104	0.8
155.03352	3.6
155.07071	5.2
155.08968	10.6
155.10738	1.1
155.14287	9.7
155.15465	0.7
156.02884	0.6
156.06555	1.3
156.07780	0.7
156.09308	1.6
173.98514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1064
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
53.03939	1.4
55.01862	43.6
55.05503	15.2
57.03424	1.3
57.07063	15.4
59.04995	4.9
65.03927	1.9
67.05493	37.1
68.05828	0.8
69.03413	3.1
69.07044	2.4
69.72578	0.9
70.95856	3.3
71.04983	5.8
71.08601	1.1
71.79049	0.8
72.93775	47.6
73.02897	1.3
73.06541	2.4
73.07687	0.8
73.93794	0.9
79.05487	4.1
81.03407	2.5
81.07040	7.4
82.06560	1.5
83.04964	100.0
84.05294	1.9
84.08138	0.8
85.06527	40.6
88.96865	1.4
90.94815	14.9
91.05462	3.7
93.07024	9.1
95.04958	11.8
95.05516	1.5
95.08588	13.4
97.06532	3.8
98.98464	3.6
99.04435	1.8
99.08092	1.0
107.08582	2.3
108.95834	4.0
109.06514	4.7
109.10133	28.6
110.06025	2.3
110.07187	1.1
110.10477	1.4
111.04434	1.8
111.98457	2.3
113.06020	2.4
113.96377	31.0
114.05511	0.8
114.09205	1.1
117.07002	0.8
119.08567	5.9
125.17252	0.9
127.07549	0.9
129.99527	1.2
131.97408	33.6
132.95801	3.8
132.97720	0.9
137.06035	1.1
137.09583	15.0
138.01834	1.1
138.05470	3.6
141.06911	0.8
141.52617	0.9
149.97165	2.1
149.98369	1.2
150.63417	0.7
150.96854	12.4
153.01115	1.1
154.98991	13.5
155.03310	1.3
155.07004	3.6
155.08243	1.5
155.10631	10.7
155.11784	1.2
155.15422	2.6
155.97447	1.5
156.02928	1.1
156.06493	2.3
156.08122	1.6
156.10217	2.1
173.33211	0.8
173.98456	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0336
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
55.01869	0.5
55.05495	0.5
59.28431	0.2
65.03929	43.2
66.04266	0.9
67.05482	1.4
70.95830	0.5
70.96487	0.5
72.93777	6.5
81.03405	3.8
81.07045	1.0
82.44360	0.3
83.04984	1.3
85.06515	0.5
90.94816	1.0
93.03387	24.1
94.03742	0.5
95.04948	0.7
95.08591	1.0
96.25577	0.3
97.06500	0.3
98.98450	0.4
109.02861	5.5
109.06525	0.3
109.10168	1.1
110.28966	0.3
111.04424	100.0
112.04763	2.4
113.05994	0.3
113.96372	4.0
127.03913	0.6
131.97430	3.3
132.95844	0.5
134.05997	1.3
137.02324	18.9
137.03403	0.8
137.05894	0.4
137.09618	0.4
138.02672	0.6
150.96902	0.8
155.03362	13.3
155.06999	1.2
156.03763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0336
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03928	0.4
55.01863	1.0
55.05503	1.8
57.03413	0.5
57.07064	0.8
59.04984	0.4
61.86716	0.2
63.73775	0.2
65.03928	37.5
66.04256	0.9
67.05490	3.9
69.03418	0.9
69.07050	0.8
70.06572	0.3
70.55450	1.1
70.95859	1.9
71.04980	1.2
72.93774	27.9
73.93810	0.4
79.05473	0.6
81.03403	3.9
81.07040	2.7
82.06559	0.9
83.04974	3.0
85.06521	1.1
88.96906	0.6
90.94807	6.6
91.05473	0.4
93.03388	12.8
93.07034	0.9
95.04955	2.2
95.08584	2.7
97.02888	0.3
97.06500	0.6
98.20776	0.3
98.98451	0.8
99.04429	1.2
108.95837	1.2
109.02850	5.2
109.06511	1.8
109.10139	3.7
110.06013	0.9
110.07132	1.1
111.04420	100.0
111.98463	1.2
112.04756	3.0
113.05994	1.8
113.96377	15.0
123.04402	0.8
127.03873	1.7
127.07545	1.2
127.08546	0.3
128.07031	0.4
129.05486	0.6
129.99429	0.6
130.56781	0.3
131.96007	0.3
131.96332	0.5
131.97409	15.6
132.95786	2.1
134.05989	1.1
137.02321	16.2
137.03398	0.8
137.05923	1.2
137.06950	0.5
137.07944	0.3
137.09573	1.2
138.02701	0.6
138.05426	0.7
149.97165	0.7
150.96861	6.1
153.86186	0.3
154.99005	1.7
155.03363	13.8
155.06996	5.4
155.08118	0.5
155.10617	0.8
155.97339	0.6
156.06482	0.8
156.07698	0.3
156.10162	0.5
167.72044	0.2
173.98442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0336
Annotation	neopatulin
Peak:m/z	Relative Intensity
53.03934	0.8
55.01870	1.1
55.05497	3.1
55.93507	0.7
57.03423	0.8
57.07056	0.7
59.04989	0.4
65.03929	1.5
66.12657	0.3
67.01845	1.3
67.05495	6.7
68.05006	0.4
68.99778	6.0
69.00127	0.4
69.03409	1.9
69.07047	0.9
69.88132	1.7
69.96173	0.3
70.06583	0.5
70.95844	5.4
71.01340	1.7
71.04971	2.0
71.08620	0.3
72.93776	31.4
73.02901	0.7
73.93818	0.2
79.05486	1.2
81.03403	6.3
81.07043	5.1
82.06569	1.4
83.04961	4.0
83.08595	0.5
84.04487	0.6
84.08147	0.7
85.02905	1.7
85.06519	1.3
86.06048	0.5
86.09681	0.3
88.96890	2.8
89.02364	0.2
90.94813	10.4
91.05470	1.3
93.03394	0.4
93.07031	1.4
95.01323	0.6
95.04949	4.3
95.05994	0.3
95.08588	3.4
96.04476	0.6
96.08115	0.3
97.06505	1.6
98.98449	1.1
99.02647	0.8
99.04433	3.4
99.08036	0.4
103.56667	0.2
106.97937	0.3
107.08594	0.3
108.95840	2.4
109.01071	0.6
109.02862	5.4
109.06498	3.9
109.07671	0.4
109.10136	5.1
110.02354	0.3
110.06040	1.4
110.07150	2.4
111.04419	4.3
111.08066	0.9
111.98463	3.2
112.01579	0.6
112.07600	0.4
113.02336	0.5
113.05994	2.5
113.96381	17.6
114.05501	0.6
114.96477	0.4
119.04939	0.4
119.08571	0.4
123.04395	1.2
125.02336	0.4
126.09126	0.4
127.03893	27.1
127.07519	2.1
128.03383	0.3
128.04239	0.6
128.07065	0.7
129.05458	0.7
129.99486	2.4
131.96248	0.9
131.97411	19.1
132.95813	6.3
132.97429	0.4
137.00537	0.7
137.02322	2.5
137.03352	0.4
137.05952	3.2
137.07899	0.5
137.09583	1.7
138.01799	0.3
138.05450	0.8
138.09128	0.3
140.04663	1.4
149.97179	2.9
150.96863	19.7
153.01820	5.8
154.99144	1.5
155.03363	100.0
155.06966	10.2
155.10603	1.7
155.15379	0.3
155.97379	1.5
156.03748	3.0
156.06438	1.2
156.07664	0.4
156.10150	1.0
167.98222	0.4
168.97897	0.8
172.98753	0.3
173.98485	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	154.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01868	0.2
55.05500	3.8
56.05017	0.4
56.05807	0.2
57.03409	0.5
57.07065	5.7
65.03938	1.6
65.41661	0.1
66.04260	0.2
67.05486	1.3
69.03407	0.7
69.07046	0.5
69.75742	0.3
69.76147	1.0
70.06565	0.6
71.04967	0.5
71.08595	0.2
71.94083	0.4
72.93774	3.6
79.05482	1.6
80.05013	0.3
80.05801	0.4
81.03378	0.3
81.07043	5.9
82.06568	0.9
82.07362	0.5
83.04952	1.2
83.07356	0.2
83.08598	1.0
84.04486	0.4
84.05274	0.2
84.08118	0.6
85.06512	1.3
86.79985	0.2
90.94810	0.7
91.05467	0.6
93.03382	0.6
93.05769	0.2
93.07002	0.3
95.04954	3.3
95.08603	0.8
96.04478	0.5
96.05283	4.4
96.08107	0.4
97.05251	2.1
97.06519	0.6
98.06037	1.9
98.09686	1.6
98.20702	0.3
98.98451	0.2
108.04479	0.3
108.08092	2.5
108.08894	0.7
109.02846	0.4
109.06505	4.7
109.10151	1.3
110.06017	2.6
110.06818	1.5
111.04430	4.1
111.06808	2.2
111.08080	0.3
112.08385	0.5
113.05939	0.2
113.96379	2.2
123.04398	0.2
124.07569	0.4
125.08340	0.4
126.05508	0.4
126.09148	2.7
127.03873	0.3
127.07566	0.2
131.97412	2.2
136.07541	1.2
136.08383	0.2
137.02319	0.8
137.05946	0.7
137.09567	0.2
138.05493	0.5
139.06279	3.5
149.97083	0.2
152.07080	0.4
153.13664	0.2
154.05159	2.0
154.08600	100.0
154.99022	0.2
155.03371	1.0
155.07106	0.9
155.08969	4.0
155.10431	0.2
155.10728	0.2
155.14304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.086
Annotation	Dopamine
Peak:m/z	Relative Intensity
51.02359	0.2
54.66306	0.1
57.18894	0.1
60.08164	0.2
64.37199	0.1
64.86168	0.2
65.03941	0.6
68.01381	0.5
69.04528	0.3
70.00361	0.9
70.00652	0.3
70.06554	0.1
72.93753	0.1
77.62960	0.2
79.05483	0.3
81.07043	0.8
84.08144	0.1
87.89564	0.1
89.02748	0.1
89.34549	0.1
89.46763	0.1
91.05463	28.3
92.05801	0.8
92.79638	0.2
95.02438	1.7
95.06079	1.5
96.04477	0.2
97.02879	0.2
102.50464	0.1
108.57114	0.2
109.02870	0.2
109.06497	2.1
110.07165	0.2
111.04440	0.5
119.04920	16.9
120.05262	0.6
131.01842	0.3
136.05032	2.3
136.07529	0.8
137.05954	100.0
138.06288	4.4
149.97200	0.4
154.04955	0.9
154.06096	4.5
154.07532	0.3
154.08638	2.2
154.13332	1.1
155.03429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.7
54.03442	4.4
55.01835	2.4
55.05500	86.0
55.30142	1.7
56.05015	8.1
56.05834	1.9
57.04546	2.7
57.07067	14.5
57.16097	1.6
58.06579	3.3
59.06098	7.3
63.59248	1.8
65.03925	18.6
67.02972	2.1
67.05475	4.9
68.05022	15.3
69.03416	3.2
69.04549	12.9
69.07055	64.1
70.06577	33.2
71.04968	3.2
71.06098	12.8
71.06915	1.6
71.08597	9.2
71.81911	2.9
71.99583	1.6
72.04501	15.7
72.08146	10.4
77.25875	1.4
79.05472	7.5
80.04996	2.5
81.03413	2.3
81.04502	5.4
81.07020	6.0
82.06551	5.7
83.04943	7.3
83.06105	10.6
83.08606	46.4
84.04482	1.9
84.05615	3.9
84.08116	4.8
85.04003	2.7
85.07653	16.4
86.06069	2.5
90.91959	1.5
91.05451	3.7
93.03354	5.1
93.07029	7.6
94.06508	4.2
95.04922	5.3
95.06077	29.4
95.08570	5.0
96.06874	1.7
97.06490	6.8
97.07632	4.7
97.10146	57.8
98.06026	2.5
98.07139	3.8
98.10442	1.7
107.04887	3.5
107.06066	1.8
107.08575	6.8
108.04456	3.3
108.05573	2.5
108.08073	3.1
109.06467	3.3
109.07613	9.7
109.10099	3.7
110.03589	4.5
110.06013	2.1
110.07138	29.5
111.04423	40.8
111.05550	6.0
111.06676	4.6
111.08011	15.6
111.09179	24.8
111.11691	5.1
112.05014	12.0
112.07501	3.8
112.08710	100.0
113.07082	6.8
113.09478	2.8
119.05968	1.7
121.06358	2.8
122.07121	6.0
124.08659	2.1
125.05968	17.0
125.08067	2.4
126.05485	5.7
126.06337	2.3
126.09197	3.8
126.10243	9.1
134.05905	1.8
135.04404	2.2
135.08037	2.6
135.11679	3.8
136.03876	4.7
136.04967	2.6
136.07628	3.9
136.08658	28.2
137.05930	4.0
137.07036	3.0
153.05417	10.3
153.06567	7.7
153.07608	5.2
153.09088	5.4
153.10216	7.9
153.11308	84.3
153.12544	3.9
154.04968	17.4
154.06064	3.9
154.08565	7.4
154.09721	15.4
154.12048	2.4
154.13309	3.9
174.18796	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.09544	1.2
53.03930	3.5
55.01858	2.7
55.05504	18.8
55.69013	1.3
57.03413	3.6
57.07041	2.0
59.04981	8.6
65.03921	14.3
65.72680	1.2
67.05486	12.6
68.05002	2.0
68.99778	1.3
69.03432	6.3
69.07046	15.6
69.76173	9.6
69.76585	2.3
70.94239	6.2
70.95840	3.5
71.04979	30.3
71.94081	2.3
73.06541	18.5
74.97413	1.6
79.05477	27.9
81.07040	75.3
82.06550	1.7
82.07359	1.5
83.04963	21.1
83.08602	3.4
84.04536	1.3
85.06490	1.4
87.04453	3.2
88.95301	1.2
88.96853	2.2
91.05465	10.1
93.03376	8.5
93.07027	50.1
94.04182	1.8
94.07349	2.8
95.04947	29.7
95.08583	20.0
97.02882	2.6
97.06501	17.8
105.07019	2.8
107.04933	8.2
107.08573	47.9
108.05209	1.3
108.08079	1.6
108.08830	1.8
109.03656	1.3
109.06503	10.1
109.10138	21.5
109.98970	1.4
110.03650	2.5
111.04426	28.2
111.08074	8.8
111.96819	2.7
112.96696	2.6
117.06929	1.4
119.08579	1.4
121.02843	100.0
122.03165	3.6
125.05967	13.6
125.09618	4.6
126.05451	2.2
126.09178	1.5
129.97870	5.2
129.99380	1.6
135.04399	6.9
135.05339	1.2
135.07988	4.5
135.11664	37.3
136.03873	3.1
136.07538	7.6
136.11954	1.9
137.06004	2.0
140.22371	1.4
141.07840	1.5
148.97305	2.9
153.01869	2.4
153.05453	21.3
153.06534	2.2
153.09059	8.0
153.10139	2.1
153.12706	26.3
154.04944	11.8
154.08592	3.6
161.42276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03945	4.0
55.01865	2.6
55.05502	20.8
55.86876	1.4
57.03427	2.9
57.07059	3.6
57.23735	1.4
59.04990	12.9
65.03932	13.6
67.05502	11.5
68.04997	2.0
69.03411	6.3
69.07056	22.0
70.26836	7.2
70.94238	6.9
70.95843	3.5
71.04981	47.4
71.94091	11.5
73.06547	25.8
79.05483	38.2
80.05032	1.6
81.03398	2.1
81.07042	100.0
82.06551	2.0
82.07371	1.7
83.04969	25.1
83.08618	3.8
85.06551	2.0
91.05453	11.8
93.03397	7.6
93.07028	56.8
95.04951	17.4
95.08591	21.8
97.06516	26.8
102.50859	1.5
105.07005	5.3
107.04927	13.4
107.08576	60.1
108.08080	1.6
108.08844	1.9
109.02886	1.8
109.06509	8.3
109.10138	25.2
110.03707	3.0
110.06057	2.3
111.04420	33.5
111.08064	13.5
111.96857	2.8
112.96706	5.1
117.07082	2.3
119.08526	1.9
125.05975	17.6
125.09631	6.2
126.05485	2.4
129.97917	3.6
135.04398	10.8
135.08029	10.2
135.11676	42.9
136.03922	2.1
136.07565	6.2
148.97316	2.3
153.01854	5.5
153.05476	14.5
153.06567	1.7
153.09117	8.7
153.12724	40.7
154.04968	10.3
154.08640	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	153.1272
Annotation	2-Isopropenyl-5-methylhexa-trans-3,5-diene-1-ol
Peak:m/z	Relative Intensity
51.02380	0.4
53.00299	0.3
53.03936	1.3
55.01851	0.7
55.05498	4.2
56.96572	0.3
57.03422	0.9
57.07042	0.4
59.04989	1.8
65.03606	0.4
65.03930	5.6
66.04260	0.4
67.05493	6.4
68.05022	0.2
68.05787	0.3
68.96316	0.4
69.03414	2.4
69.07058	3.7
70.03731	0.2
70.94240	1.2
70.95844	0.9
71.04980	8.3
71.94092	1.9
73.06540	3.9
75.10431	0.2
79.05478	9.4
80.05007	0.5
80.05812	0.4
81.03400	0.4
81.07041	19.3
82.04188	1.1
82.06563	0.5
82.07370	0.4
83.04964	4.8
83.08611	1.0
84.08109	0.5
85.06511	0.3
87.04449	0.6
88.95270	0.4
88.96902	0.3
91.05468	2.4
93.03388	3.2
93.07028	11.8
94.07355	0.5
95.04951	100.0
95.08588	3.3
96.05283	3.2
97.02885	0.5
97.06511	8.6
99.10398	0.2
105.07018	1.1
107.04933	2.5
107.08577	12.2
108.04511	0.3
108.08158	0.3
108.08903	0.4
109.02924	0.3
109.06496	4.2
109.10130	4.4
109.98930	0.2
110.03622	0.7
111.04421	7.1
111.08057	5.7
111.96874	0.5
112.03922	0.3
112.04729	0.4
112.08309	0.2
112.96693	0.9
117.07006	0.3
121.02883	0.6
125.05980	5.0
125.09592	1.4
125.70367	0.3
126.05453	0.6
126.06277	0.4
126.09150	0.3
129.97864	0.5
130.97746	0.6
135.04375	1.2
135.08051	2.2
135.11671	8.0
136.03896	0.6
136.07549	1.2
136.11996	0.3
137.05930	0.4
148.97351	0.8
151.08589	0.3
153.01836	0.6
153.05460	4.4
153.06537	0.4
153.09091	5.3
153.10146	0.4
153.12718	6.6
154.04955	2.5
154.06012	0.2
154.08560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.11885	1.3
52.98346	1.4
53.00289	2.0
53.03926	6.4
55.01847	6.0
55.05500	34.3
57.03415	4.7
57.07059	4.0
58.81704	1.3
59.04988	11.6
61.33432	1.7
65.03931	20.4
66.04685	1.5
67.01831	3.7
67.05496	21.0
67.49747	1.3
68.05015	2.3
68.99740	2.1
69.03424	11.0
69.07058	31.6
69.95982	9.8
70.94253	11.5
70.95841	5.1
71.04591	2.6
71.04977	35.5
71.94090	36.8
71.95217	1.3
73.06542	21.8
79.05479	33.7
80.04968	1.4
80.05831	1.5
81.03414	3.5
81.07042	100.0
82.06557	4.0
82.07344	1.6
83.03195	1.3
83.04965	62.9
83.05473	3.3
83.08600	4.6
84.08137	1.8
85.06556	3.1
88.95274	3.4
88.96893	2.4
89.95113	3.4
91.05461	16.6
93.03371	6.9
93.07030	68.3
94.07348	2.6
94.46540	1.5
95.04950	26.5
95.08589	25.3
97.02882	3.2
97.06509	25.4
98.20770	3.0
105.06998	4.2
107.04954	13.1
107.08576	69.8
108.04456	5.0
108.08122	1.8
108.08854	1.8
109.02874	1.7
109.06496	7.5
109.10138	29.9
110.03616	3.2
111.04423	51.3
111.08065	16.0
111.96811	8.5
112.04749	2.0
112.96696	15.8
119.08553	2.5
125.05960	25.5
125.09614	4.2
126.05480	4.2
128.34604	1.5
129.97890	8.1
129.99538	1.6
130.97734	15.8
135.04417	7.2
135.08032	8.3
135.11673	44.9
136.03911	4.3
136.07542	7.4
136.11975	2.4
137.05899	2.6
138.03099	2.0
148.97397	2.4
153.01811	25.2
153.05440	24.7
153.06535	2.5
153.09087	16.9
153.11755	2.1
153.12727	49.1
153.99341	2.6
154.04948	20.3
154.06042	2.0
154.08568	7.6
171.02853	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	alpha-Campholenal
Peak:m/z	Relative Intensity
50.94984	0.5
51.40544	0.4
53.03932	0.8
55.01857	0.6
55.05500	5.4
56.74498	0.4
57.03421	1.5
57.07058	1.5
59.04979	2.6
65.03928	4.1
67.05492	16.2
69.03417	2.2
69.07054	18.5
69.46720	0.4
70.94248	1.8
70.95854	1.0
71.04971	1.6
71.81180	0.7
71.94091	5.2
71.95245	1.2
74.06853	0.4
79.05068	0.5
79.05484	5.7
80.05013	0.7
81.03400	0.6
81.07042	8.5
82.06562	1.2
83.04965	5.3
83.08599	3.3
87.04438	0.5
88.95279	0.9
88.96867	0.4
89.95134	0.5
91.05466	3.9
93.03391	1.1
93.07031	13.8
95.04948	2.7
95.08588	42.1
96.04482	0.6
96.08920	1.2
97.06513	7.8
97.10189	0.6
98.06009	0.5
100.51088	0.4
105.06982	1.3
107.04958	2.9
107.08573	19.2
108.04471	0.9
108.08147	0.5
108.08839	0.5
109.02890	0.4
109.06486	1.5
109.10136	100.0
110.03596	0.5
110.06034	0.4
110.10474	3.1
110.35819	0.4
111.04421	10.0
111.08069	4.9
111.11692	1.9
111.96848	1.7
111.98491	0.5
112.07627	0.4
112.96647	1.9
112.99981	0.6
119.08537	1.8
123.11681	1.5
125.05968	4.9
125.09613	0.7
126.05466	1.4
126.06291	0.6
126.09107	0.7
129.97897	1.5
130.97694	2.3
135.04375	1.6
135.05376	0.5
135.08017	1.2
135.11668	12.1
136.03903	1.9
136.04832	0.4
136.07507	2.1
136.11922	0.6
137.02356	0.6
137.05949	1.3
137.09634	0.7
153.01857	1.0
153.05426	5.0
153.06599	1.9
153.09077	3.2
153.10156	1.3
153.12717	34.7
153.99280	0.8
154.04936	7.9
154.06064	0.8
154.08588	2.9
154.13075	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03940	1.1
55.01849	1.5
55.05256	0.8
55.05498	8.4
57.03418	4.2
57.07052	2.0
59.04990	1.2
59.72306	0.5
65.03925	5.5
67.05492	24.9
68.05025	0.7
69.03419	4.0
69.07053	39.1
69.85557	3.6
70.07385	1.0
70.94243	2.2
70.95835	1.0
71.04972	2.3
71.94080	5.8
71.95240	1.5
78.60585	0.4
79.05475	17.9
80.04988	0.7
80.05830	0.6
81.03407	0.8
81.07039	29.0
82.06563	1.4
83.04961	8.6
83.08595	4.8
85.02885	0.8
85.06512	1.0
87.04443	0.8
88.95259	0.7
88.96910	0.8
89.95109	0.6
91.05463	5.2
93.03384	1.2
93.07024	36.3
94.07333	0.7
95.04958	3.1
95.08587	17.2
96.08900	0.7
97.02869	1.1
97.06510	18.0
98.21399	1.1
105.07030	1.0
107.04959	3.4
107.08569	39.0
108.04490	0.7
108.08114	0.9
108.08907	1.1
109.06505	2.0
109.10133	30.5
109.48622	0.5
110.03619	1.6
110.06070	0.7
110.10436	1.0
111.03741	0.7
111.04434	12.0
111.08061	6.3
111.11677	1.0
111.96846	1.9
112.04724	0.8
112.96681	3.0
118.06466	0.6
125.05960	6.5
125.09591	1.5
126.05477	2.2
126.06337	1.7
126.09152	0.7
129.97879	1.7
130.97701	2.6
134.71533	0.6
135.04373	1.7
135.11662	95.4
136.03896	2.6
136.07527	2.4
136.12009	2.9
137.05922	0.7
153.01820	1.1
153.05544	5.1
153.07561	4.5
153.09232	3.6
153.12712	100.0
153.99326	0.6
154.04948	9.2
154.06079	0.7
154.08543	2.9
154.13048	4.8
154.15860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0544
Annotation	(R)-Mandelate
Peak:m/z	Relative Intensity
51.02380	0.4
52.80624	0.2
53.03934	1.0
55.01860	0.7
55.05501	1.5
57.03424	0.3
59.04997	0.4
65.03928	5.3
66.23759	0.2
67.05490	1.8
68.05022	0.4
68.96314	0.6
69.03416	1.9
69.03699	0.2
69.07056	2.0
70.13926	0.6
70.14322	0.6
70.94241	1.3
70.94588	0.3
70.95848	0.9
71.01340	0.3
71.04980	0.5
71.94109	0.6
79.05476	6.0
81.03391	0.3
81.07047	1.6
82.06121	0.3
82.06583	0.7
83.04965	3.0
83.08592	0.3
87.04451	0.3
88.51372	0.2
88.96886	0.3
91.05463	1.6
93.03394	2.4
93.07031	3.6
95.04947	8.5
95.08582	2.6
97.02888	0.4
97.06516	5.9
105.04490	0.4
105.06946	0.3
107.04935	100.0
107.08570	4.0
108.04536	0.5
108.05251	2.8
108.08104	0.4
109.02865	0.3
109.06478	1.4
109.10124	2.5
110.03627	0.4
111.04423	11.9
111.08070	1.5
111.96858	0.6
118.06459	0.3
123.04393	1.6
125.05085	0.5
125.05968	6.5
125.09599	1.0
126.05476	0.6
126.09043	0.3
127.99928	0.3
129.97881	0.6
130.96254	0.6
135.04391	43.8
135.07935	1.4
135.11647	2.4
136.03842	0.5
136.04745	1.5
136.07532	1.6
137.05910	0.4
143.39725	0.3
148.97345	1.5
153.01994	0.3
153.05449	7.7
153.06531	0.6
153.07478	0.4
153.09061	2.1
153.12714	4.1
154.04958	2.5
154.06055	0.4
154.08562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	Paracetamol
Peak:m/z	Relative Intensity
53.03932	0.5
58.67750	0.3
65.03922	0.7
67.05478	0.5
69.03413	0.4
71.77965	0.4
77.16624	0.3
77.57992	0.3
78.66608	0.3
79.05479	2.4
80.04985	0.3
81.03419	0.4
85.65213	0.3
92.04980	1.8
93.03387	0.4
93.05772	1.0
94.06521	0.5
95.04959	1.3
96.04461	0.3
96.08129	0.4
106.06547	3.2
107.04937	9.3
108.08099	0.5
109.02848	1.0
110.06023	6.0
111.04431	0.9
122.06003	1.4
123.04411	6.9
123.06786	0.3
124.07581	1.1
125.04700	0.7
125.05949	0.8
134.05986	6.6
135.04395	6.1
136.04790	0.3
136.17480	0.3
138.03038	0.3
138.05515	0.7
152.07037	100.0
153.04031	0.7
153.05429	1.5
153.07452	2.6
159.54308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
54.77804	3.2
55.01865	9.8
55.05492	12.9
57.03423	7.7
57.07060	7.7
58.99851	4.4
59.04977	5.6
59.72820	3.2
60.04506	6.1
61.02900	4.3
65.03931	38.2
67.05490	16.0
67.10528	3.1
68.05025	3.8
68.95290	5.1
68.98323	4.5
69.03418	22.1
69.07047	18.0
70.94254	17.7
70.95860	21.4
71.02987	4.9
71.04994	4.3
71.79834	4.8
73.02901	7.2
77.00903	4.7
78.89624	3.0
79.05484	34.6
80.05016	9.3
81.03405	11.2
81.07053	15.2
82.01410	4.9
82.06555	8.3
83.04964	17.3
84.08132	8.3
85.01289	3.6
85.02898	5.7
87.99391	4.9
88.51698	4.5
88.95300	5.5
88.96897	9.3
89.51537	9.7
90.01617	11.3
90.51433	8.5
91.05468	9.3
91.53714	3.8
92.03785	3.7
92.04990	5.7
92.05788	4.6
93.03400	13.6
93.07005	21.7
93.53438	5.7
94.06554	4.6
95.04949	20.8
95.08592	15.4
96.04472	14.0
96.08147	20.5
96.08678	4.5
97.02914	8.4
97.06514	28.3
100.02472	53.4
101.00877	3.6
101.02355	22.1
101.52428	34.8
102.02225	24.2
103.02423	9.9
104.01989	3.6
106.00452	5.5
106.06559	24.5
107.04943	24.1
107.08572	17.9
108.04459	14.7
108.08865	4.8
108.53969	3.9
109.02905	3.7
109.05262	7.1
109.06509	7.8
109.10149	11.5
110.03642	10.6
110.06045	8.2
111.02830	3.4
111.04429	93.8
111.08059	10.0
111.96868	12.3
111.98454	4.8
113.03226	5.9
114.09161	6.9
116.48179	4.5
118.03493	42.3
119.01918	19.1
119.03598	8.5
120.01936	4.2
120.03283	10.4
121.01651	3.8
121.03448	10.7
122.53741	7.3
123.04497	4.1
124.03964	15.4
124.07590	30.2
124.11217	3.7
125.05980	43.6
125.09607	6.9
128.01924	4.8
129.02074	14.1
129.03937	42.3
129.97891	15.6
129.99475	7.0
130.01704	8.8
130.04068	3.3
131.01880	8.0
133.43077	3.6
134.06013	20.8
135.01416	4.3
135.03317	4.2
135.04388	12.6
135.11690	11.1
135.51332	3.5
137.02998	5.0
137.05963	3.7
137.50011	10.6
137.51605	6.2
139.04095	3.9
140.04973	7.1
140.54672	4.0
141.05179	4.4
142.03476	5.2
143.01901	5.0
145.03432	7.0
146.52203	5.4
147.01323	21.0
147.03172	15.1
147.05023	65.7
148.02768	4.4
149.00864	7.1
150.00676	3.8
152.01637	43.9
152.03394	15.9
152.04463	3.6
152.05759	6.6
152.07025	100.0
152.07961	4.8
152.10715	12.4
152.11789	3.8
153.01903	6.6
153.05438	29.8
153.06535	5.3
153.09094	10.9
153.12666	16.2
157.03445	4.8
159.04959	3.5
160.04591	4.7
161.02896	9.1
165.02438	3.8
165.06082	5.2
168.03188	3.2
168.05026	3.1
170.02948	6.3
170.06551	4.6
173.02939	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03929	0.7
55.01857	0.8
55.05489	1.5
56.96554	0.3
57.03412	0.5
57.07051	1.0
59.04981	0.8
65.03912	0.5
67.05493	5.1
68.05016	0.2
68.95264	0.3
69.03407	0.9
69.07059	1.7
70.09637	1.5
79.05484	3.3
81.03397	0.6
81.07043	10.1
82.07361	0.3
83.04960	0.5
89.05985	0.4
91.05469	3.5
93.07025	3.7
95.01324	0.4
95.04960	2.5
95.08578	3.9
96.08098	0.3
97.06496	1.1
98.20721	0.4
99.51254	0.3
105.06308	0.4
105.07011	6.5
106.06588	0.3
106.07322	0.4
107.04920	0.7
107.07877	0.4
107.08569	4.7
108.05758	0.4
109.06504	10.4
109.10135	7.8
110.10505	0.3
118.07746	0.3
119.01770	0.4
119.06048	0.3
121.06467	0.7
121.10114	2.4
123.04409	0.7
123.08042	4.1
123.11684	2.9
124.07604	0.4
124.08459	0.2
128.02287	0.3
131.08517	0.6
133.10109	3.7
134.05998	0.4
136.08836	1.5
151.02856	0.3
151.03889	2.1
151.07726	1.9
151.11154	100.0
152.01598	0.6
152.03397	0.4
152.07013	2.2
152.10385	0.4
152.11502	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1115
Annotation	Car-3-en-5-one
Peak:m/z	Relative Intensity
53.03947	4.0
55.05500	100.0
56.05836	2.2
57.03422	0.7
57.07069	2.2
59.04999	4.0
65.03914	0.9
67.05491	18.3
69.03415	2.1
69.07058	3.5
71.04983	0.8
71.08594	0.6
71.58473	1.3
71.87313	0.5
71.87748	0.6
79.05475	8.3
81.03418	0.7
81.07040	37.2
81.88768	0.6
82.07398	1.0
83.04992	0.6
83.08612	1.2
85.06534	0.7
85.92465	0.6
91.05464	8.7
93.07030	11.9
94.07327	0.6
95.04947	10.0
95.08597	9.0
97.06511	17.6
105.07010	11.3
107.04944	0.7
107.08575	18.4
107.79707	0.6
109.06493	13.8
109.10139	35.5
110.07288	1.3
121.10126	2.4
123.04445	0.9
123.08044	3.5
123.11687	15.0
125.09568	0.7
131.08589	0.6
133.10095	6.7
134.10478	0.7
135.04439	0.6
138.07883	0.6
151.02809	0.6
151.03870	2.6
151.07532	1.2
151.11157	26.4
151.14890	0.6
152.01608	0.7
152.07054	1.2
152.11528	0.8
152.86916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1114
Annotation	Car-3-en-5-one
Peak:m/z	Relative Intensity
53.03933	6.1
55.01840	1.8
55.05500	100.0
56.05821	3.3
57.07046	2.8
59.04988	5.6
61.80507	0.9
65.03918	1.9
67.05488	21.5
68.95261	0.8
69.03404	2.6
69.07056	16.1
71.04961	1.7
73.89125	0.8
79.05476	10.5
79.67278	0.8
81.03385	1.8
81.07040	49.0
82.07366	1.8
89.06009	1.7
90.30535	0.7
91.05464	9.1
93.07015	10.0
95.04943	16.3
95.08582	9.2
96.04453	1.3
96.08142	1.0
96.36327	0.9
97.06505	18.6
102.68054	0.9
105.04495	1.2
105.07003	14.2
106.06554	2.1
106.07259	1.0
107.04946	1.9
107.08567	16.6
109.02892	1.0
109.06498	24.8
109.10134	39.9
110.06045	1.2
110.07327	1.3
110.10484	1.4
116.48154	0.9
121.10106	2.1
123.04413	2.4
123.08056	5.8
123.11678	32.3
124.07572	2.1
127.94821	1.0
129.34633	0.9
133.06483	1.1
133.10110	10.8
134.05946	1.2
151.02808	2.1
151.03864	4.2
151.07510	4.4
151.08571	1.3
151.11150	36.0
152.01622	3.1
152.03377	1.0
152.07031	6.4
152.11559	1.2
161.69971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1115
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03933	7.0
54.48831	0.9
55.01846	2.8
55.05267	1.1
55.05503	10.6
56.96523	2.0
57.03426	5.0
57.07066	6.1
59.04974	3.0
59.45434	1.0
63.67859	1.2
65.03919	2.9
67.05495	26.5
68.05016	1.3
69.03150	0.9
69.03424	10.0
69.07056	12.5
69.81965	3.1
69.82385	4.3
71.04967	2.8
73.02905	1.5
79.05474	16.7
80.06277	1.0
80.18985	0.9
81.03413	10.1
81.07040	91.3
82.07377	2.1
83.00737	1.3
83.04963	2.0
89.06012	3.0
91.05454	14.2
93.07027	21.8
95.01315	1.2
95.04389	1.6
95.04952	21.9
95.08586	19.9
96.04478	1.4
96.05260	1.2
96.08115	2.4
97.06509	2.8
98.97562	1.6
99.51268	2.6
105.07010	20.5
106.06525	2.3
107.04926	1.9
107.08569	19.8
108.04449	1.3
109.06496	62.3
109.10139	32.4
110.06026	1.1
111.04414	1.5
119.01750	2.5
121.10114	3.8
121.52066	1.4
123.03581	1.1
123.04388	5.5
123.08044	14.9
123.11684	74.7
124.07569	3.6
124.12026	2.2
128.02271	2.5
133.06543	1.5
133.10106	19.7
134.06041	2.0
151.02815	3.0
151.03893	7.8
151.04945	2.0
151.07516	4.7
151.11150	100.0
152.01602	5.9
152.03380	2.1
152.07027	15.1
152.11551	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	151.1115
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03931	2.0
55.01857	4.3
55.05269	0.9
55.05504	14.1
57.03420	1.7
57.07054	3.6
57.48032	0.8
59.04982	2.0
60.80947	0.8
65.03918	3.1
67.05498	23.3
68.95242	1.0
69.03419	62.8
69.07055	6.5
70.03763	1.3
70.45689	0.8
71.04983	8.1
79.05480	10.6
81.03400	1.7
81.07043	63.1
82.06559	1.1
82.07362	2.4
83.04966	1.0
89.06011	1.4
91.05473	14.0
92.05731	0.8
93.06497	1.3
93.07036	21.1
94.04154	2.1
95.01324	1.5
95.04379	1.7
95.04950	22.5
95.08599	12.4
96.04488	2.1
96.05731	3.6
96.08123	1.9
97.06506	5.2
98.01309	1.0
104.18351	0.8
105.07013	17.5
106.06554	1.8
107.04926	3.1
107.08576	18.9
107.47614	1.2
109.06503	100.0
109.10132	15.9
109.80791	0.8
110.01239	0.9
110.06099	1.2
110.06783	4.7
111.04398	1.3
119.01801	1.0
119.06051	1.8
121.10091	1.0
122.07217	1.1
123.04402	3.7
123.08043	11.8
123.11686	30.1
124.07556	3.3
124.08412	1.3
124.12018	1.4
128.02325	1.6
133.06419	0.9
133.10091	11.8
134.05984	1.8
137.02896	0.8
151.02887	1.5
151.03897	6.0
151.04953	1.6
151.07652	4.3
151.11157	38.0
152.01625	3.2
152.03395	2.0
152.07028	7.2
152.10501	1.2
152.11537	2.4
160.95996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01862	1.2
55.05489	2.2
56.17389	1.2
56.87696	1.1
57.07053	1.8
61.57506	1.4
65.03610	1.9
65.03931	24.7
65.99344	1.1
66.04250	1.7
66.17632	1.1
68.46085	1.6
69.07054	4.5
69.70345	10.9
79.05482	8.0
81.07049	1.9
89.36327	1.1
91.05435	8.4
93.03364	7.9
93.07026	16.8
95.04948	1.6
103.05463	2.3
105.07015	26.4
106.06461	1.2
107.08578	27.8
108.08124	1.5
109.06474	2.2
111.04457	7.3
119.08557	5.3
121.02851	38.0
121.03960	7.6
121.06526	2.0
121.10127	63.5
122.03172	2.9
122.06034	1.3
122.10458	2.8
123.08033	4.0
134.10896	1.2
149.02322	100.0
149.05945	3.2
149.09610	7.1
149.13235	15.2
150.02663	7.9
150.03725	2.0
150.05466	4.1
150.09071	2.3
164.08139	1.2
167.05519	2.6
169.03424	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	150.0547
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03939	1.6
55.01859	0.5
62.19137	0.3
65.03930	1.1
66.37179	0.3
67.05491	8.9
69.95174	1.4
69.95578	0.6
79.05473	1.4
81.03403	0.5
85.51128	0.4
91.05453	0.6
93.05759	0.7
94.06549	29.2
95.04952	1.0
95.06882	0.9
96.04475	0.5
105.06954	0.4
106.06531	6.9
108.04484	0.4
109.05102	0.5
119.04937	0.4
121.02850	0.4
122.06005	49.3
123.04380	0.4
123.06339	1.6
123.08036	0.4
132.04436	0.9
133.05081	0.7
135.06798	0.3
148.03917	0.5
150.02942	2.5
150.05476	100.0
150.07626	14.3
150.08990	1.4
151.03899	0.4
151.05820	4.1
151.07491	0.6
167.95673	0.3
168.06532	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	151.0385
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.02362	0.6
52.03159	0.7
53.03929	2.2
55.01858	4.1
55.05487	0.8
57.03408	0.6
59.04985	0.5
61.42614	0.3
65.03928	10.1
67.05493	11.5
68.05821	0.3
68.95259	0.4
68.99768	0.5
69.03417	1.0
69.07053	1.2
71.01336	1.0
71.55221	0.7
77.03911	1.0
78.23521	0.3
79.05470	2.0
80.02628	1.2
81.03391	0.7
81.07038	5.9
83.04961	0.3
84.02126	0.6
85.02882	1.4
85.23133	0.3
88.37685	0.3
89.06029	0.5
91.05462	2.8
93.03407	0.3
93.07020	2.4
94.06548	0.3
95.01312	1.2
95.04956	7.7
95.08585	2.6
96.04480	0.4
105.03339	0.3
105.04501	0.7
105.07018	3.7
106.06535	0.4
107.04918	0.4
107.08563	2.9
108.02077	13.7
108.02831	0.7
109.02889	2.6
109.06503	3.5
109.10146	2.6
111.04419	2.9
112.01577	1.3
116.48132	0.6
119.04983	0.3
121.03946	1.0
121.10097	0.3
123.04416	1.7
123.08055	2.0
123.11677	2.2
124.07577	0.5
128.02267	0.4
133.10120	2.7
134.05995	0.5
136.01537	2.1
141.05437	15.7
142.05783	0.4
151.03896	100.0
151.05016	22.3
151.07376	2.1
151.11147	4.5
152.01659	1.0
152.04248	3.6
152.05327	0.6
152.07050	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03936	2.3
55.01839	1.9
59.57598	1.5
62.08239	1.3
65.03922	11.3
67.05491	1.3
69.03404	4.5
71.13290	3.4
79.05480	14.5
81.07074	1.9
86.45705	1.4
91.04902	2.5
91.05460	38.9
93.03358	1.7
93.07019	19.4
94.07387	1.3
95.04929	4.3
103.05438	5.7
105.07014	30.3
106.07816	1.8
107.04900	1.5
107.08572	4.4
109.06496	5.9
111.04377	1.3
115.05429	3.8
116.06220	15.0
119.08573	4.9
121.02847	11.6
121.03711	1.6
121.06482	13.8
121.10118	32.1
122.06863	1.5
122.10508	2.9
123.08051	6.3
129.06923	8.5
131.08545	21.6
132.08887	1.6
134.07249	4.3
142.71751	1.2
147.08017	2.7
149.02322	28.8
149.09593	100.0
150.02631	2.0
150.09904	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	148.0602
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
54.77271	0.6
56.05022	4.6
60.61203	0.6
68.40459	0.6
70.84287	2.3
70.84648	0.8
84.04487	100.0
85.02892	2.2
85.04821	3.5
85.06829	0.6
88.03978	0.7
94.19176	0.6
98.50195	0.7
100.85163	0.6
102.05522	22.3
121.02843	1.0
130.04979	13.9
148.06042	3.4
149.02356	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	148.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	4.3
65.03925	1.2
65.05322	0.6
70.57940	2.0
84.04491	100.0
85.02885	2.8
85.04346	0.4
85.04808	2.9
93.03410	0.7
102.05527	18.0
103.05880	0.6
117.83208	0.5
121.02814	3.5
130.04973	13.2
148.03925	0.9
148.05966	3.3
149.02322	8.4
149.03410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0594
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02342	1.2
51.20150	0.9
53.03926	3.8
56.55971	0.8
65.03927	28.1
66.04242	1.0
67.05482	5.1
70.16598	5.0
73.92312	0.8
79.05472	21.2
79.66734	0.9
80.55276	0.9
85.04807	2.9
91.05453	15.2
93.03383	7.4
93.07021	26.5
94.06551	13.9
95.04940	5.7
98.03646	1.3
100.48624	1.0
103.05441	48.2
104.05793	2.0
105.03323	0.9
105.04481	2.3
105.07012	1.8
106.04070	1.3
106.06525	3.7
107.04922	16.0
109.05103	1.2
111.04413	7.8
121.02839	42.3
121.03950	8.1
121.06474	34.8
121.10127	1.2
122.03206	1.6
122.06010	15.1
122.06812	1.9
122.95926	0.9
131.04884	7.0
132.04417	1.4
132.05315	1.2
133.05096	1.1
149.02312	100.0
149.05937	16.2
149.07030	1.5
149.09567	1.6
150.02670	6.5
150.03706	1.4
150.05463	19.2
150.07713	27.6
150.09000	1.9
152.11430	0.9
158.17845	0.9
167.03355	2.0
167.05490	1.0
168.06584	2.9
169.03456	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49931	1.1
55.05504	10.0
65.03907	1.4
65.40224	1.3
67.05490	1.8
69.07049	4.7
79.05473	5.7
81.07037	3.2
84.04492	15.2
91.05461	40.7
91.06033	2.3
91.43804	1.0
92.05796	1.9
93.07038	2.5
93.37612	1.1
102.05482	2.3
103.05407	2.6
105.07014	100.0
106.07351	5.0
107.08575	3.0
115.05377	1.3
116.06164	1.1
117.06995	7.2
118.02181	1.0
119.04921	18.5
119.08561	94.7
120.08886	4.3
126.76388	1.1
130.04982	2.9
131.08588	1.4
132.09314	3.6
145.10107	7.6
147.04410	13.6
147.05449	2.2
147.07961	2.0
147.11662	83.8
148.03897	2.3
148.12007	6.0
157.48264	1.0
164.39333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	4.6
61.09883	0.5
65.03938	4.0
70.84127	0.7
70.84472	1.2
73.20852	0.5
73.53168	0.4
84.04491	100.0
85.02889	2.4
85.04840	2.4
85.08469	1.2
93.03391	1.1
102.05525	19.8
111.04451	0.9
117.68594	0.6
118.03533	0.5
120.04480	0.8
120.05298	1.0
120.08125	0.5
121.02859	6.7
121.03839	1.1
130.04984	15.1
131.05399	0.7
131.72881	0.5
148.03947	2.0
148.06062	3.0
148.07536	1.4
149.02315	16.0
149.05998	1.0
167.03465	0.5
168.20560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03938	1.2
55.05499	12.6
65.03925	1.7
67.05484	2.8
67.77113	0.9
68.64139	0.9
69.07046	5.0
70.09751	4.9
79.05471	3.8
81.07030	2.2
84.04491	15.5
91.05463	38.3
92.05776	1.8
93.07024	3.2
93.94100	1.0
102.05511	2.6
103.05463	2.7
105.07013	97.9
106.07304	6.5
107.08572	4.6
117.06985	7.8
118.97968	1.0
119.04932	11.6
119.08559	100.0
120.08891	6.1
130.04962	2.1
130.07767	1.2
131.08548	1.5
132.09309	3.2
145.10104	7.1
147.04385	9.3
147.08044	2.7
147.11661	81.9
148.03922	1.4
148.11993	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.89417	0.6
64.99873	0.6
65.03934	7.3
69.87921	3.7
78.33775	0.6
81.97533	0.6
84.04494	1.2
91.05463	78.9
92.05785	3.1
98.21379	0.6
115.23072	0.7
117.16097	0.6
119.04920	100.0
120.05263	4.0
135.59398	0.7
143.09314	0.6
147.04379	61.9
148.04733	4.8
162.78334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32246	0.5
53.55873	0.6
62.54610	0.5
62.78176	0.5
64.64777	0.5
65.03925	5.7
65.19908	0.5
70.47802	2.2
84.04490	4.4
91.05462	70.2
92.05777	3.8
102.05495	0.9
103.34220	0.5
105.07005	2.2
117.06982	0.7
119.04919	100.0
119.08562	3.1
120.05245	5.3
147.04384	56.2
147.08080	1.1
147.11679	1.9
148.04802	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	147.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	7.2
65.19185	0.6
70.59992	2.9
79.90652	0.6
82.28201	0.7
83.53626	0.6
84.04494	7.0
91.05464	80.2
92.05795	3.7
98.20749	0.8
102.05549	1.3
105.07023	2.5
119.04919	100.0
119.08549	4.8
120.05244	4.3
126.90098	0.7
129.06926	1.0
130.04944	1.7
147.04382	55.1
147.08069	1.2
147.11644	3.7
148.04759	3.0
163.65417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1126
Annotation	L-Lysine
Peak:m/z	Relative Intensity
50.12286	0.4
56.05029	2.4
67.05476	1.4
69.67692	0.6
69.68099	3.4
74.54474	0.5
84.08127	100.0
85.06519	0.6
85.07961	0.5
85.08456	3.5
91.05463	1.2
98.97805	0.5
119.04926	1.7
130.08617	17.9
131.08965	1.1
142.46886	0.5
147.04414	1.1
147.11252	1.1
147.68987	0.5
147.70656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.79737	0.6
55.25557	0.7
65.03930	5.4
69.72891	4.8
72.08660	0.6
84.04472	4.2
91.05464	79.5
92.05806	3.2
98.21404	1.2
98.89826	0.6
100.61469	0.7
105.07009	1.8
119.04920	100.0
119.08526	2.9
120.05250	4.8
130.05002	1.1
136.62404	0.6
147.04384	63.1
147.11632	2.3
148.04761	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	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
64.92809	0.9
65.03636	0.8
65.03927	6.7
67.87444	0.7
69.87634	5.5
74.74761	0.8
79.15229	0.8
84.04487	9.0
84.08114	0.9
91.05463	79.9
92.05798	3.1
102.05531	1.6
105.07030	2.1
119.04920	100.0
119.08543	3.8
120.05222	6.0
130.04956	2.2
130.47313	0.8
137.95123	0.8
147.04382	55.8
147.11649	2.6
148.04735	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07600	13.8
70.08018	8.1
72.35197	3.7
73.08546	3.5
85.92194	3.5
95.36616	3.8
101.00862	16.5
111.29934	3.9
114.09138	6.7
119.01913	100.0
137.02983	37.0
142.03491	33.2
142.08583	9.7
143.03377	17.7
150.79236	4.0
160.04509	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	146.0597
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
62.88425	0.5
64.73814	0.5
67.89894	0.5
71.41944	1.4
72.08149	1.6
91.05463	18.4
91.09736	0.5
93.20573	0.6
100.04752	0.7
117.05748	3.7
118.06522	100.0
119.04931	1.3
119.06858	4.2
128.04935	2.0
146.05981	25.7
147.04337	1.0
147.06306	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0597
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
55.05505	0.4
65.03934	0.4
70.21167	0.7
70.21580	1.2
71.04988	0.4
72.05320	0.5
72.08157	0.5
82.06568	1.2
89.20163	0.3
91.05460	19.7
92.05792	0.8
100.04756	1.5
100.07590	1.4
100.36501	0.3
101.10166	0.3
105.07014	0.7
117.05747	3.4
118.06517	100.0
119.04917	3.9
119.06854	4.7
119.08562	1.2
146.05978	20.7
146.07913	0.7
147.04401	2.7
147.06320	1.1
147.11679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.2
53.39230	1.1
55.05498	3.6
55.70875	0.9
56.96575	1.0
57.03428	2.1
67.05495	7.2
67.93563	1.2
68.04992	2.2
69.07048	2.1
69.55747	1.1
70.06561	1.2
71.04981	23.9
71.34844	2.8
72.04513	1.2
72.05306	1.2
79.05477	2.9
81.03387	1.5
81.05769	1.8
81.07037	6.4
82.06568	2.0
83.04961	2.1
83.08598	1.6
85.02873	1.9
85.06532	1.1
85.07678	1.4
95.01315	1.9
95.04942	4.1
95.08591	9.1
96.04475	2.6
96.08128	8.6
97.06509	4.1
97.10177	1.0
109.02881	1.5
113.02361	7.1
113.05959	1.1
114.09148	55.8
118.96720	3.4
123.04411	1.5
123.08057	1.7
123.11687	1.8
124.07541	2.4
125.06004	1.2
141.01814	11.1
141.05420	7.4
141.06503	2.3
141.09016	2.1
141.11084	1.0
141.12718	4.6
142.04904	2.3
142.08612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.1
55.01863	22.7
55.05516	4.4
57.03408	1.4
59.93087	0.9
67.05493	10.9
68.05022	1.6
69.03409	2.3
69.07044	2.0
71.01276	0.8
71.04980	8.4
79.05479	4.8
81.03395	3.7
81.05779	1.1
81.07037	6.9
83.04958	1.9
85.02866	1.3
93.07052	1.5
95.01310	1.4
95.04961	7.4
95.08589	16.1
96.04472	1.4
96.08118	5.4
97.06515	100.0
98.06026	0.7
98.06856	4.3
99.04432	5.2
99.08071	4.1
109.02861	1.1
111.00821	0.8
113.02357	5.2
113.05999	4.5
114.09147	44.0
115.05390	0.8
118.96737	3.1
120.84315	0.8
123.04405	1.6
123.08054	5.6
124.03911	1.2
124.07551	1.2
125.05953	1.2
141.01807	10.3
141.05438	6.9
141.06525	1.3
141.09099	6.1
141.11359	0.9
142.04973	2.1
142.08612	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96755	1.3
50.99511	1.3
53.00299	1.5
53.03930	2.0
55.01852	3.4
55.05484	5.8
57.03413	3.7
57.07048	2.1
59.93096	3.0
60.04501	1.4
61.36193	1.3
67.05489	12.9
68.05003	2.9
69.03403	4.3
69.07043	3.3
70.06567	2.9
71.04979	34.3
71.14597	4.4
75.38241	1.3
79.05476	2.2
81.03390	2.9
81.05794	1.8
81.07044	11.7
82.06567	2.5
84.08127	2.2
85.06544	3.3
86.06065	1.7
93.07027	1.8
95.01288	3.8
95.04925	6.1
95.08595	14.8
96.04463	2.9
96.08101	8.5
96.08676	1.3
97.06522	9.4
99.04451	2.4
100.07574	1.5
109.02848	2.2
111.00778	2.7
112.03970	1.5
112.77342	1.6
113.02349	13.6
113.06041	1.6
114.09150	55.1
118.96714	7.2
123.04433	2.9
123.08026	1.8
123.11641	4.7
124.03945	3.0
124.07558	2.5
125.05970	4.9
126.03109	1.3
141.01807	20.7
141.05473	7.8
141.06490	2.1
141.09047	3.1
141.11671	1.2
141.12704	8.5
142.02188	1.5
142.04974	5.6
142.08615	100.0
142.12250	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0544
Annotation	2,4,6-Trihydroxytoluene
Peak:m/z	Relative Intensity
53.03925	3.6
55.01865	2.9
55.05486	5.8
57.03421	2.4
57.07056	4.7
59.93087	3.6
67.01859	2.4
67.05495	13.4
68.05006	1.7
68.99780	13.8
69.03408	2.0
69.07034	2.2
70.06595	2.4
71.04984	12.1
71.08627	1.6
71.14511	3.7
72.91506	1.2
79.05473	3.8
81.03402	4.4
81.07043	15.2
83.04964	2.2
84.08147	1.6
85.02884	4.0
85.06510	2.9
85.07630	1.2
95.01286	3.4
95.04951	6.8
95.08586	11.1
96.04464	4.2
96.08109	7.0
97.02876	2.8
97.06500	4.0
98.03665	7.9
99.04498	1.5
108.42657	1.4
109.02895	4.4
111.00787	92.2
112.01129	2.7
113.02351	13.5
113.05983	1.9
114.09144	37.0
118.96733	6.4
123.04419	3.1
123.08087	2.8
123.11675	1.5
125.05982	2.6
126.03118	74.1
141.01820	21.4
141.05444	100.0
141.09085	2.4
141.11296	1.6
141.12727	3.0
142.04933	4.9
142.05853	2.4
142.08617	73.8
150.95709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0387
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03927	1.8
55.01866	4.5
55.05506	4.6
56.96566	3.7
57.16560	0.5
57.93544	1.0
65.03613	0.8
65.03934	13.3
67.01846	2.8
67.05492	6.0
68.99782	8.5
69.03426	4.5
69.07054	1.3
69.81635	1.8
69.82053	2.7
71.01334	1.2
79.05485	1.5
83.04967	9.1
84.39290	0.5
91.05476	0.8
93.03397	8.7
93.07038	1.9
94.06512	0.9
95.04954	6.9
95.08574	1.2
97.02888	1.6
97.06531	1.8
98.21397	1.2
98.97598	2.3
98.98443	4.1
100.61407	0.6
102.52708	0.5
111.04432	32.7
111.62524	0.6
112.03957	1.6
112.04732	1.3
116.97216	3.8
116.98611	2.5
121.02866	4.0
121.03941	2.1
121.10165	1.1
133.86922	0.6
134.99669	2.0
139.03886	100.0
139.07527	1.9
139.11162	3.0
140.03366	1.5
140.04303	4.1
140.07022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.03452	2.1
55.05506	35.7
56.05030	8.4
57.02154	1.6
57.04552	18.6
57.05336	1.1
57.07066	7.7
58.02953	45.0
58.06575	1.0
59.06103	2.7
65.03916	3.0
66.03453	3.8
68.04996	3.4
69.03417	3.9
69.04539	1.3
69.07060	22.6
70.06567	3.5
71.06107	5.7
71.08626	1.4
71.75671	2.2
72.08146	3.0
75.57418	1.0
80.05009	2.5
81.02133	1.3
81.04530	6.1
81.07030	1.8
82.02912	1.4
82.05330	1.5
82.06574	1.2
83.04987	2.3
83.06107	1.5
83.08607	45.6
84.04451	1.4
84.08155	1.3
84.08908	1.4
93.04491	2.4
93.07018	1.2
94.06526	2.0
95.06068	4.2
96.06817	1.4
97.06448	2.1
97.07636	4.0
97.10160	9.4
98.04771	3.4
98.07167	100.0
98.98452	4.5
99.04328	1.7
99.04982	1.7
99.05569	23.6
99.09221	1.2
107.06062	6.7
111.04410	7.4
112.03939	3.6
112.08707	3.3
113.07053	1.3
121.03973	12.5
121.07622	1.4
122.06086	2.5
122.07133	45.6
139.03914	2.3
139.04990	6.6
139.06044	4.1
139.07578	1.6
139.08623	8.1
139.09740	8.5
139.10594	1.3
139.12306	3.0
140.03398	6.8
140.04385	1.6
140.05818	3.1
140.07051	3.4
140.08153	35.8
140.10649	1.2
140.11812	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0387
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
51.02357	1.3
53.03936	6.1
55.01863	9.1
55.05505	8.7
56.05016	1.8
56.96553	15.5
57.03426	1.8
57.93544	4.1
58.06583	6.9
58.56665	1.1
59.04982	2.4
61.37410	1.1
65.03925	33.2
65.81458	1.2
66.04240	1.7
67.01852	7.2
67.05489	22.8
68.99435	1.6
68.99774	15.5
69.03415	17.2
69.07053	3.6
71.01340	3.6
71.10226	1.6
71.10564	2.5
79.05473	2.5
81.07034	2.3
83.04963	23.1
84.04493	11.0
91.05442	3.0
93.03387	24.1
93.04526	2.3
93.07021	8.4
94.06558	4.4
95.04947	18.2
95.08582	3.4
97.02864	4.5
97.06531	6.7
98.97550	6.3
98.98445	14.8
105.07013	1.4
111.04420	68.3
111.08073	2.2
112.03934	4.7
112.04716	2.6
112.07600	1.9
116.97224	12.0
116.98582	9.5
121.02851	9.9
121.03889	6.0
121.04727	1.4
121.06521	1.9
121.10135	5.3
122.02378	1.4
122.06001	3.4
134.99625	11.9
138.05501	1.5
139.03879	100.0
139.04904	5.2
139.05635	6.2
139.07518	6.0
139.08459	1.5
139.09492	1.6
139.11139	15.3
140.03294	9.4
140.04272	5.2
140.07045	4.6
140.10654	10.9
148.96179	1.7
153.00691	4.8
156.02942	1.4
158.01295	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0386
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.03924	2.5
54.60828	0.6
55.01410	0.7
55.01862	5.6
55.05498	5.0
56.96555	5.8
57.07021	0.7
57.93549	1.8
59.04984	1.5
65.03925	17.7
67.01841	2.7
67.05490	8.3
68.99773	7.5
69.03417	8.0
69.07056	1.7
70.18742	3.5
71.01334	1.6
76.50900	0.5
79.05464	2.3
80.04989	0.7
81.07071	1.1
82.06544	0.6
83.04962	12.5
83.08660	0.7
86.82343	0.6
88.34521	0.7
91.05453	1.5
93.03394	13.2
93.07024	4.6
94.06563	1.7
95.04946	7.2
95.06045	0.7
95.08588	2.9
96.08078	0.8
97.02855	2.7
97.06522	3.5
98.97543	4.6
98.98433	6.1
99.00794	0.8
111.04419	44.0
111.08065	1.2
112.03941	2.5
112.04744	1.9
112.07591	1.2
116.97214	5.6
116.98568	4.7
121.02846	5.4
121.03973	2.7
121.04772	0.8
121.10104	1.2
122.06022	1.4
125.02290	1.0
134.99654	5.4
139.03876	100.0
139.05782	2.6
139.07469	3.3
139.09515	0.7
139.11165	5.7
139.12285	2.3
140.03360	2.9
140.04309	3.7
140.07013	1.5
140.08078	1.2
146.28990	0.6
153.00691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
54.92154	0.4
55.05495	0.6
56.96551	1.0
63.39164	0.4
65.03928	16.2
66.04242	0.6
67.05470	0.6
69.03405	1.1
69.07033	0.4
69.89305	0.3
70.20281	2.2
74.43442	0.4
83.04965	1.4
85.71029	0.4
93.02834	0.6
93.03395	8.0
93.07028	0.6
95.04962	2.0
95.08608	1.0
95.75751	0.4
97.06529	1.0
98.20712	0.4
98.97574	1.7
98.98450	1.1
111.04423	31.0
112.04742	1.0
112.07593	0.8
116.97213	1.3
116.98604	2.1
121.02847	100.0
122.03190	4.5
127.43682	0.4
134.99661	1.3
139.03886	9.5
139.04939	0.9
139.07524	0.8
139.11197	1.0
139.12221	0.8
140.03377	1.3
140.04315	0.7
140.07025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03939	2.6
55.05494	4.0
57.07067	13.1
65.03944	2.3
67.05496	23.1
69.07057	7.7
71.08622	0.9
79.05482	8.1
81.03381	1.5
81.07042	51.5
82.06570	1.1
82.07359	1.7
91.05476	8.1
92.05008	2.3
93.07021	10.6
94.04178	6.2
94.06538	2.8
95.04955	6.6
95.08591	100.0
96.08910	4.8
102.32804	0.9
107.08563	1.3
109.06496	3.5
109.10139	10.0
110.06053	4.3
110.09673	0.9
119.04916	3.6
120.04444	3.7
121.02863	3.0
121.06465	2.1
122.03624	9.2
122.07230	0.9
123.03928	1.1
127.04041	0.9
137.02455	8.6
137.03403	1.7
137.04399	1.0
137.05937	26.9
137.06985	1.4
137.07947	1.6
137.09578	5.9
137.13234	18.4
138.01714	2.7
138.05458	18.9
138.06331	1.5
138.09113	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	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03928	0.4
54.12640	0.2
65.03925	0.5
67.05485	0.6
71.31350	0.3
76.21909	0.2
83.47511	0.2
83.50661	0.2
87.16154	0.2
87.40524	0.2
92.04987	2.8
93.05783	0.4
93.07031	0.3
94.06554	12.7
95.06887	0.4
96.04490	1.4
103.05415	0.2
109.73392	0.2
110.06023	9.3
111.06367	0.4
121.06484	3.5
138.05478	100.0
139.05815	4.0
154.04976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1322
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02392	0.4
53.03931	1.0
55.01865	0.5
55.05494	4.5
57.07064	14.0
58.07375	0.4
64.65967	0.3
65.03928	1.4
65.44776	0.3
66.04729	0.5
67.05490	25.2
68.05850	0.7
69.07055	6.6
71.08601	0.7
71.80990	0.8
77.18998	0.3
79.05476	4.9
79.63510	0.3
81.03387	0.6
81.07040	53.8
81.60951	0.4
82.06559	0.5
82.07382	2.5
91.05456	3.9
92.04979	0.6
92.05841	0.6
93.05776	0.5
93.07030	7.1
94.04172	4.2
94.06561	0.6
94.07357	0.5
95.04958	3.7
95.08588	100.0
96.04520	0.7
96.08916	5.2
107.04937	0.5
107.08568	1.3
108.09353	0.6
109.06503	1.4
109.10137	9.6
110.06015	3.0
110.10452	0.8
119.04921	1.3
119.08633	0.6
120.04431	0.9
121.02884	2.6
121.06474	1.4
122.03629	5.6
122.07233	0.5
122.10927	0.4
123.06786	0.6
137.02438	3.7
137.05939	15.1
137.09621	2.5
137.10583	0.7
137.13225	19.2
138.01724	1.3
138.05460	9.6
138.06332	1.0
138.09119	2.9
138.13589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03921	3.6
55.01865	1.7
55.05487	3.7
57.03421	1.2
57.07069	20.3
65.03920	3.3
65.31278	1.2
66.33791	1.1
67.05498	27.4
68.05827	1.1
69.07038	4.3
71.78607	1.9
77.11217	1.0
79.05479	8.0
81.03395	4.9
81.07043	47.1
82.06557	1.6
82.07359	2.3
90.96767	1.6
91.05467	17.6
92.04972	3.5
92.05804	2.1
93.05753	1.9
93.07024	13.8
94.04196	7.6
94.04682	1.7
94.06537	4.3
95.04962	7.8
95.08591	100.0
96.08910	5.1
107.04906	1.9
107.08540	3.3
109.02849	2.3
109.06483	5.2
109.10133	15.5
110.06023	9.8
119.04888	7.0
119.08572	1.9
120.04487	2.5
121.02793	2.6
121.06472	4.4
122.03637	12.2
122.07266	6.8
123.03943	1.2
127.03869	1.5
134.39636	1.2
137.02373	16.6
137.03447	2.3
137.05942	40.4
137.06941	1.4
137.07957	1.6
137.09595	14.8
137.12224	2.2
137.13229	34.0
138.01709	5.5
138.02684	1.4
138.05464	40.3
138.06328	2.8
138.09108	8.7
138.10031	1.7
138.13536	1.7
156.52376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
52.92285	0.7
55.05502	4.2
56.14900	0.8
57.07065	15.6
58.07392	0.9
67.05491	21.2
69.07055	6.6
71.54835	1.4
71.55164	1.4
79.05476	4.7
81.07040	66.4
82.07386	2.3
92.44300	0.9
93.07024	5.3
94.97259	0.8
95.08588	100.0
96.08905	4.6
99.65616	0.9
107.08537	1.2
108.47601	0.9
109.10148	9.2
125.49277	1.0
137.13232	22.2
138.13576	2.1
138.87694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
52.05214	0.7
53.03919	2.5
55.01852	1.6
55.05500	4.8
57.07068	19.6
58.07379	0.9
64.41537	0.7
65.03914	3.5
66.04678	1.0
67.05491	25.8
69.07060	5.8
71.37370	1.0
71.80761	0.8
71.81142	0.9
78.55627	0.8
78.59612	0.8
79.05478	6.1
81.03395	2.9
81.07039	44.3
82.06554	1.1
82.07365	1.8
91.05466	30.0
92.04984	1.9
92.05788	2.6
93.06467	1.4
93.07026	11.5
94.04166	9.2
94.06541	3.2
95.04965	6.5
95.08588	100.0
96.04477	2.2
96.08904	4.3
104.45204	0.8
105.04456	1.0
107.04900	2.5
107.08573	2.1
109.06492	5.6
109.10132	13.9
109.85764	0.9
110.06013	7.5
119.04932	10.6
119.08533	1.5
120.04423	1.9
120.29138	0.8
121.02850	3.0
121.06493	5.1
122.03625	15.9
122.07259	7.3
122.10802	1.0
123.03953	1.3
124.59061	0.8
129.29028	1.0
137.02438	11.0
137.05945	46.9
137.09589	17.7
137.13223	29.5
138.01707	3.6
138.02617	0.9
138.05466	35.7
138.06366	2.8
138.09061	5.5
138.10013	1.0
138.13585	2.6
151.57166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
52.31612	1.0
53.03932	1.6
55.05502	7.5
57.07065	11.6
60.30404	1.1
65.03907	2.9
67.05496	29.7
69.03408	1.0
69.07057	7.1
70.48995	4.5
79.05481	9.1
81.03395	1.3
81.07044	78.6
82.06559	1.5
82.07359	3.2
91.05461	11.0
92.05000	2.0
92.05798	1.4
93.07025	12.9
94.04165	3.9
94.06581	1.4
95.04948	13.2
95.08591	100.0
96.04454	1.0
96.08930	4.6
107.04913	0.9
107.08579	1.7
109.06505	5.0
109.10132	11.2
110.06033	6.1
112.54683	1.1
119.04916	3.3
119.08559	2.8
120.04439	2.9
121.02839	3.4
121.06487	2.4
122.03632	3.9
122.07233	2.0
126.12523	0.9
137.02419	8.2
137.03413	1.9
137.05885	13.7
137.07990	1.9
137.09607	18.8
137.13222	17.2
138.01761	5.6
138.02684	1.2
138.05473	20.3
138.06424	1.3
138.09106	7.4
138.10016	1.7
138.13565	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.84241	1.0
53.03926	2.6
55.01880	1.0
55.05494	3.8
57.06784	1.7
57.07063	25.1
65.03929	2.4
67.05491	24.5
69.03381	1.3
69.07050	5.3
71.31112	2.7
79.05484	5.8
81.03406	1.4
81.07036	44.0
82.06551	2.2
82.07359	3.1
91.05462	12.7
92.05009	1.8
92.05756	1.4
93.05763	2.0
93.07021	10.4
93.96860	0.9
94.04181	4.3
94.06043	1.3
94.06580	2.2
95.04946	8.3
95.08589	100.0
96.04491	1.9
96.08934	4.4
107.04955	1.4
109.06507	5.5
109.10130	15.2
110.06046	7.6
119.04919	3.3
120.04456	4.9
121.02843	6.5
121.06474	4.8
122.03619	4.9
122.07278	1.9
122.10811	1.4
123.06792	1.2
137.02475	13.3
137.04460	1.3
137.04831	1.8
137.05869	18.8
137.07959	2.2
137.09590	6.4
137.10555	1.8
137.13223	31.5
138.01784	5.2
138.05473	30.1
138.06372	1.8
138.09070	8.1
138.09924	0.9
138.13571	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03925	1.8
55.01867	0.7
55.05489	0.9
65.03905	0.8
65.56131	0.6
67.05492	17.5
67.69100	0.6
69.03405	0.6
69.07038	0.8
69.78645	2.5
69.79081	2.1
77.15007	0.6
79.05474	2.2
81.03407	1.6
81.07046	8.0
82.67654	0.6
91.05464	11.1
93.07010	3.7
94.04170	1.1
95.04946	2.6
95.08590	5.9
103.05426	0.7
107.04926	11.0
107.08582	0.7
109.02741	0.7
109.06474	2.1
109.10140	27.9
110.06013	1.8
110.10468	1.3
110.25137	0.6
115.21770	0.7
117.07001	1.0
119.04915	2.1
119.08559	12.0
121.02905	0.6
121.06479	6.1
122.03606	1.8
122.07265	68.6
123.07646	2.8
135.08040	2.4
137.02362	4.5
137.03317	0.8
137.05969	8.2
137.09589	100.0
138.05476	7.1
138.09109	0.6
138.09959	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	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01862	6.4
55.05489	5.3
57.03429	1.7
57.07053	2.0
65.03926	6.3
66.04694	3.0
67.05492	48.8
69.03411	3.9
69.07034	3.4
71.78321	1.7
73.40385	1.1
79.05475	12.8
81.03407	5.0
81.07040	32.8
82.06555	1.6
82.07347	1.9
83.04957	2.2
91.05462	47.1
91.06030	2.3
92.04970	2.5
92.05781	3.2
93.07025	16.1
94.04175	23.4
94.06563	4.9
95.04395	2.0
95.04955	23.9
95.08582	21.2
96.04465	1.9
103.05423	1.6
105.04466	1.4
107.04923	10.2
107.08565	5.4
108.05709	1.4
109.02843	1.3
109.06497	43.6
109.10138	44.9
110.06029	10.3
110.06747	1.4
110.10450	1.8
117.06983	1.4
119.04916	7.9
119.06075	1.1
119.08554	15.8
120.04440	4.4
121.02823	3.0
121.06489	9.1
122.03626	30.4
122.07265	46.4
123.03914	1.4
123.07609	2.0
135.08025	3.2
137.02443	14.3
137.05943	94.3
137.09587	100.0
137.13191	2.7
138.01683	3.4
138.05460	44.6
138.06287	3.2
138.09018	6.3
138.10022	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	137.0595
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
50.62978	0.5
53.03923	1.7
55.01854	1.0
55.05486	0.7
56.79925	0.4
57.93529	0.5
57.94561	0.5
65.03925	2.5
66.04710	2.8
67.05495	4.1
69.03419	0.5
69.07051	0.7
69.47770	0.9
69.48174	4.6
75.75808	0.4
79.05495	4.0
81.03401	2.2
81.07043	6.7
82.06566	0.6
91.05463	17.9
92.04985	1.4
92.05804	0.9
93.07030	5.0
94.04172	22.1
94.06551	1.8
95.04495	0.6
95.04972	4.4
95.08608	4.2
96.04455	0.5
96.08893	0.5
105.04504	0.7
106.84510	0.5
107.04947	1.9
109.06488	3.8
109.10136	2.0
110.06036	4.2
110.09548	0.4
119.04932	3.9
119.08569	1.1
119.64835	0.5
120.04455	1.1
121.02858	2.1
121.06470	2.0
122.03629	39.7
122.07246	0.7
123.03954	1.7
127.03877	0.6
137.02426	7.6
137.05956	100.0
137.09552	5.6
137.13229	0.8
138.01698	1.2
138.05476	14.1
138.06339	3.8
138.09103	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	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03918	4.7
55.01861	5.2
55.05504	6.2
57.07052	1.5
65.03919	6.1
66.04686	1.5
67.05492	48.4
68.05826	1.0
69.03398	4.8
69.07047	3.1
71.81399	1.9
71.83427	0.9
77.03894	1.4
79.05061	1.3
79.05472	11.1
81.03400	6.0
81.07035	34.3
82.06543	1.2
83.04956	1.8
91.05464	42.3
92.04976	4.9
92.05772	2.7
93.07022	13.8
94.04167	18.0
94.06551	6.1
95.04391	1.7
95.04953	25.5
95.08585	20.5
96.04462	2.2
107.04951	11.3
107.08556	3.9
108.05720	1.1
109.02818	1.5
109.06493	41.7
109.09380	2.1
109.10131	40.6
110.06031	12.1
110.06764	1.6
110.09704	1.3
110.10447	2.5
111.04408	1.0
117.06980	2.7
119.04913	8.5
119.05914	1.7
119.08560	13.1
120.04450	3.5
121.02831	6.1
121.06461	9.3
122.03622	34.1
122.07259	45.1
123.07613	1.5
135.08003	1.6
137.02467	12.8
137.05942	89.1
137.09583	100.0
137.13136	2.2
138.01773	5.2
138.05458	47.8
138.06297	3.6
138.09016	7.1
138.09958	4.8
149.27467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03922	1.0
55.01867	0.9
65.03895	1.6
66.04710	2.6
67.05492	2.8
70.03144	3.4
79.05485	4.0
81.03431	0.8
81.07033	7.4
82.06535	0.9
91.05466	8.3
92.04963	0.9
92.05827	0.6
93.05734	0.6
93.07060	2.6
94.04169	24.1
94.06559	0.9
95.04558	0.6
95.04981	4.5
95.08575	5.9
98.20709	0.6
98.74592	0.6
105.03325	0.6
107.04942	2.1
109.06511	3.6
109.10111	1.3
110.06009	3.4
119.04898	2.2
119.08588	0.5
120.04485	1.2
121.02837	1.3
121.06485	1.2
122.03626	43.2
122.07281	1.2
123.03956	1.9
135.04347	0.6
137.02504	6.6
137.05948	100.0
137.09546	2.3
137.13229	1.0
138.01732	1.8
138.05453	9.0
138.06343	3.8
138.09137	2.9
138.10034	0.6
140.04706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.94986	0.2
53.03932	0.9
55.01872	0.4
58.20704	0.3
59.10744	0.3
65.03928	0.9
65.95539	0.3
66.04716	2.8
67.05497	0.5
69.03403	0.3
70.51074	0.3
71.47701	0.6
79.05484	3.0
81.03394	0.3
81.07021	1.8
83.22240	0.3
91.05464	2.9
93.03403	0.3
93.07019	0.3
94.04170	27.0
95.04458	0.6
95.04962	0.9
95.08614	0.6
105.03350	0.5
107.04948	1.2
107.85754	0.3
109.06510	0.8
113.57332	0.3
114.04515	0.3
119.04926	0.5
122.03625	45.8
123.04010	1.6
135.04420	0.7
137.05952	100.0
138.05437	0.8
138.06329	5.7
138.09120	0.4
153.58002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	Toluate
Peak:m/z	Relative Intensity
53.18063	0.6
62.08171	0.6
65.03928	5.0
67.05486	1.7
71.58815	1.1
71.59161	1.1
79.05465	1.4
81.03375	0.6
81.07037	4.0
88.15618	0.6
91.05464	100.0
92.05808	4.5
93.07041	1.7
94.04160	1.4
94.06517	0.7
95.04947	1.3
95.08595	2.3
97.82779	0.7
104.44716	0.6
107.04922	0.6
109.06495	5.0
110.05976	1.4
119.04923	36.5
120.05259	2.4
121.06461	0.8
122.03625	2.0
122.07258	0.6
137.02408	1.9
137.05954	51.6
137.09587	2.5
138.05412	4.7
138.06323	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0616
Annotation	Adenine
Peak:m/z	Relative Intensity
65.03917	0.4
67.02970	0.2
76.11758	0.1
79.05528	0.1
91.05466	7.8
92.02467	0.4
94.04037	2.6
95.26620	0.1
99.66138	0.2
107.04923	0.2
109.05132	0.5
109.06504	0.2
112.05012	0.2
119.03542	6.4
119.04888	3.1
136.06161	100.0
137.04556	4.9
137.05830	2.2
137.06551	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0616
Annotation	Adenine
Peak:m/z	Relative Intensity
52.33367	0.4
53.03926	1.1
55.01841	0.7
57.30074	0.4
60.18935	0.4
64.90283	0.4
65.51059	0.4
67.05480	2.1
67.30249	0.4
68.04980	0.4
69.03416	0.5
70.39495	1.9
79.05463	1.6
80.05012	0.5
80.05788	0.7
81.03414	0.7
81.07047	2.5
90.04229	1.6
91.05467	7.3
93.05767	1.9
93.07038	3.4
94.04074	3.4
94.06549	0.6
94.07381	0.5
95.04961	2.1
95.08582	2.1
101.61305	0.4
102.16248	0.5
107.04918	1.0
108.04501	0.8
108.05258	1.2
108.08151	0.7
108.08865	0.5
109.01099	2.0
109.06491	1.8
109.10137	1.4
112.05049	0.4
113.96440	0.5
118.03700	0.8
118.06514	1.4
119.03538	7.0
119.04903	2.8
119.08604	0.5
122.03620	2.5
122.07339	0.4
136.02153	33.2
136.06166	100.0
136.07491	5.8
136.11174	1.4
137.02437	3.4
137.03493	0.8
137.04568	6.3
137.05952	9.1
137.08086	0.5
137.09564	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.10139	1.1
53.03931	5.0
54.61109	1.1
55.05499	9.4
55.52040	1.0
62.98959	1.1
65.03931	1.4
67.05482	4.2
68.23181	1.1
69.07057	4.0
70.76971	1.1
77.03902	1.4
77.70644	0.9
79.05479	25.2
80.05803	1.2
81.07042	5.0
83.10645	1.0
89.03920	1.3
91.05469	37.6
92.05790	1.9
93.05777	4.8
93.07028	56.6
94.06538	0.9
94.07359	4.6
95.04953	8.1
98.20718	2.1
105.04472	1.0
105.07015	21.0
107.04958	9.1
107.08575	100.0
108.08170	1.8
108.08885	7.1
109.01079	3.2
109.06503	7.2
115.05463	1.6
117.07017	2.1
118.06540	1.7
119.03537	2.3
119.06048	2.3
119.08572	12.0
120.09364	3.6
121.01525	1.0
133.10117	1.5
135.04398	5.6
135.08020	3.5
135.11674	42.9
136.02142	64.3
136.03905	3.9
136.05139	2.8
136.06174	39.5
136.07544	13.7
136.11153	2.4
136.12045	3.0
137.04594	1.8
137.09628	1.3
146.23459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03925	4.9
54.58432	1.4
55.01843	1.3
55.05502	6.2
57.07051	1.6
62.48063	1.4
65.03922	1.9
67.05488	3.0
69.07051	2.0
71.51453	1.9
79.05067	1.8
79.05482	19.9
81.07075	1.3
89.03911	2.1
91.05465	42.6
92.05759	2.5
93.05766	1.8
93.07025	43.1
94.07331	2.1
95.04961	8.1
102.06387	1.3
105.07009	20.9
107.04921	5.1
107.08575	100.0
108.08903	6.9
109.06492	9.2
117.03382	2.1
117.06999	4.7
119.06036	3.1
119.08559	20.6
120.09344	5.1
135.04399	7.0
135.08043	9.9
135.11667	42.2
136.02148	21.7
136.05164	2.5
136.06166	14.2
136.07472	7.1
136.12012	2.8
137.09645	1.5
147.62926	1.3
149.50844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03924	4.7
55.05502	11.7
65.03915	1.2
69.07070	6.8
79.05480	22.1
80.05803	1.6
81.07038	3.8
91.05466	36.6
92.05772	2.6
93.07029	73.9
94.07342	2.6
94.07851	1.6
95.04962	7.9
105.04546	1.2
105.07012	14.5
107.04929	1.1
107.08575	100.0
108.08907	6.1
109.06501	6.5
119.06048	1.3
119.08572	6.9
120.09336	3.0
133.10133	1.4
135.04408	1.2
135.11670	51.6
136.02161	7.5
136.06171	4.7
136.07545	2.2
136.12010	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.4
54.41542	1.3
55.05508	8.0
56.83319	1.3
62.52179	1.4
66.78798	1.1
67.05487	1.7
69.07057	3.2
79.05482	15.6
81.07033	2.3
88.82583	1.1
91.05467	34.6
92.05803	1.9
93.07029	59.4
94.07349	2.2
95.04955	7.7
98.20625	2.5
105.07003	18.9
107.04943	1.7
107.08581	100.0
108.08890	5.7
109.06499	8.3
117.06982	1.7
119.06070	2.4
119.08569	9.9
120.09373	2.1
135.04462	1.2
135.11673	68.5
136.02126	14.7
136.05255	1.9
136.06175	9.9
136.07602	2.4
136.12039	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03931	2.1
55.05510	7.8
57.07056	0.8
57.40199	0.7
67.05502	4.9
69.07045	3.3
71.05954	1.2
71.06300	1.7
79.05486	21.6
81.05314	0.8
81.07034	6.5
91.03893	0.7
91.05466	23.6
93.07030	57.8
94.07351	3.2
95.04961	5.6
105.04475	0.9
105.07020	10.1
107.04926	1.5
107.08578	100.0
108.08913	5.8
108.58716	0.8
109.01093	1.0
109.06516	4.8
118.06475	0.9
119.06062	1.3
119.08564	4.0
120.09355	1.7
135.04446	0.9
135.11676	35.1
136.02145	22.5
136.05179	1.3
136.06169	10.5
136.07545	3.2
136.12021	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02349	0.9
53.03930	3.5
55.05503	9.6
57.07067	1.9
67.05473	4.5
69.07063	5.2
69.66158	7.8
79.05479	22.6
81.07050	5.2
91.04905	2.0
91.05460	33.9
93.07025	73.6
94.07346	4.2
95.04939	7.1
103.05479	1.3
105.07009	15.1
107.04998	1.7
107.08571	100.0
108.08887	5.3
109.06511	6.3
117.06957	1.2
119.06047	1.7
119.08550	7.4
120.09333	4.1
124.05097	1.2
133.10117	1.6
135.11664	57.2
136.02147	16.5
136.03914	1.0
136.05174	2.0
136.06172	10.0
136.07538	3.1
136.12027	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03949	4.6
55.01863	12.7
55.05507	6.0
65.03931	6.0
67.05497	5.8
69.03426	11.8
69.07059	1.5
69.59277	9.2
70.95297	0.9
79.05482	44.9
80.05016	1.8
80.05812	2.0
81.03395	0.9
81.07036	2.5
91.05466	70.4
92.05780	2.7
92.06276	1.5
93.05782	6.1
93.07031	33.1
94.04050	1.4
94.07398	1.2
95.04957	11.7
95.87866	0.8
105.04517	1.9
105.07014	28.4
106.07304	1.1
107.04963	10.9
107.08578	80.8
107.44682	1.1
108.08150	1.8
108.08907	5.1
109.01100	4.7
109.06500	15.4
115.05441	18.0
117.07006	20.8
118.06528	1.2
118.07299	0.9
119.03521	2.6
119.06031	5.5
119.08573	5.1
120.05720	2.1
124.05245	1.0
135.04407	8.3
135.05505	1.9
135.08041	46.5
135.11665	20.9
136.02145	100.0
136.03922	5.2
136.05147	5.5
136.06174	58.3
136.07547	17.7
136.08382	2.1
136.11110	1.7
136.12068	1.1
137.04576	2.3
154.04945	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.04885	0.7
53.03941	4.0
55.01846	0.9
55.05502	7.0
57.07054	1.3
65.03918	1.6
67.05494	2.0
69.03404	1.8
69.07056	2.6
71.78468	1.0
79.05482	18.9
80.05004	1.7
80.05823	1.0
81.07041	3.2
89.03878	0.8
89.61599	0.8
91.05466	31.7
92.05784	1.4
92.89135	0.7
93.05785	8.1
93.07032	46.1
94.04033	1.6
94.06570	1.4
94.07352	2.5
94.07869	1.0
95.04942	8.6
105.04496	1.6
105.07008	12.1
106.07333	0.9
107.04941	7.8
107.08578	74.9
108.04494	1.6
108.08104	3.0
108.08915	5.0
109.01102	5.7
109.06493	5.0
110.03638	1.1
117.03373	0.8
117.06992	1.5
118.06539	1.9
119.03529	4.6
119.06049	1.1
119.08558	7.0
120.09330	2.4
127.93059	0.7
133.10123	1.1
134.07967	0.6
135.04404	6.8
135.05508	2.7
135.06461	1.1
135.08040	4.5
135.08992	1.1
135.10631	0.9
135.11674	30.4
136.02147	100.0
136.03920	5.3
136.05161	9.3
136.06172	84.2
136.07544	22.0
136.08562	1.5
136.11183	3.2
136.12045	2.3
136.22539	0.7
137.04593	3.4
138.62482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03946	5.3
53.04155	1.0
55.01860	6.9
55.05311	0.7
55.05508	8.3
56.62033	0.8
57.07053	1.0
65.03936	4.5
67.05495	5.6
69.03416	8.6
69.07051	4.8
69.90282	6.1
70.20934	0.8
78.63454	0.8
79.05480	44.9
80.04994	1.6
80.05794	2.3
81.03365	1.0
81.07043	3.4
89.03922	2.2
91.05466	58.8
92.05780	1.9
92.06285	1.3
93.05796	6.3
93.07028	58.7
94.04057	1.3
94.06538	1.3
94.07339	1.5
95.04949	10.5
98.20757	1.1
105.04502	2.3
105.07019	20.6
106.07334	1.0
107.04937	17.7
107.08578	87.8
108.04442	0.9
108.08111	2.1
108.08920	3.6
109.01089	5.6
109.06499	10.6
115.05436	12.7
117.03369	1.6
117.07007	13.6
118.06527	4.1
118.07312	1.1
119.03513	1.4
119.04973	1.0
119.06050	4.0
119.08562	8.3
120.09343	2.5
135.04424	16.5
135.05481	2.3
135.06477	1.9
135.08040	37.8
135.10815	1.0
135.11665	29.4
136.02144	100.0
136.03896	4.5
136.05130	3.7
136.06172	44.6
136.07545	16.4
136.08427	2.3
136.11111	1.4
136.12042	1.7
137.04572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.9
54.76474	1.1
63.02356	3.7
67.11781	1.2
68.20868	1.1
69.65717	1.1
70.99021	3.0
79.05479	21.1
81.29605	1.3
84.30407	1.1
88.43012	1.0
89.03905	88.7
90.04227	2.1
91.05457	3.7
93.07011	2.4
95.04947	8.2
107.04937	24.0
107.08576	4.4
113.42960	1.0
115.74290	1.1
115.90276	1.2
117.02534	2.0
117.03363	38.9
118.03722	2.5
118.59435	1.2
124.58614	1.2
135.04395	100.0
135.08057	2.9
135.11649	2.3
136.02133	14.2
136.04781	4.2
136.06171	6.2
136.07561	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	135.0439
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
52.79282	1.1
53.03934	3.5
53.15802	1.1
63.02367	3.2
65.31394	1.1
69.59935	2.9
69.60340	9.1
71.27580	1.0
75.96540	1.0
79.05485	21.7
85.06957	1.1
89.03905	86.4
90.04250	3.7
91.05470	2.8
93.07015	1.4
95.04958	6.0
98.21500	2.0
107.04950	22.2
107.08582	2.4
108.05228	1.3
117.03369	41.9
118.03719	2.3
129.27229	1.2
135.04396	100.0
135.07993	2.5
136.02139	8.3
136.04755	2.9
136.06148	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	134.0598
Annotation	Indoxyl
Peak:m/z	Relative Intensity
50.72447	0.9
53.03927	1.7
55.01844	2.7
55.05494	1.4
65.03928	40.2
66.04264	1.4
67.05468	1.0
68.99738	1.2
70.70423	1.2
70.70775	3.3
74.02409	2.2
79.01842	1.2
79.05486	7.5
88.03957	1.0
89.03911	3.0
91.05461	10.4
93.07033	13.7
95.04940	2.3
103.01837	1.1
105.04549	0.9
105.07011	4.5
106.06517	3.0
106.07338	5.3
107.04937	9.5
107.08574	20.4
109.06495	2.2
111.04424	42.6
112.04748	1.5
115.05415	1.3
117.07001	1.8
119.08583	2.2
121.03969	15.7
134.05989	100.0
134.09564	2.2
134.10445	8.5
135.04402	11.4
135.05388	2.1
135.06381	4.5
135.08046	5.3
135.08945	1.0
135.11646	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	134.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.01850	8.1
55.50629	1.8
57.03424	57.7
58.99848	5.0
59.52195	3.2
61.02927	10.6
65.56923	2.1
67.00624	2.0
68.02637	2.6
69.03409	20.5
71.04971	2.2
71.77901	2.4
72.52954	11.2
73.02902	28.4
74.52706	2.7
77.00880	6.6
77.52199	3.3
78.52950	11.5
79.02156	2.4
79.05463	15.3
80.03529	2.0
80.52710	3.3
81.01892	2.3
81.03413	12.9
81.53478	4.3
82.01434	7.6
82.28582	1.9
84.52929	3.5
85.02888	13.3
85.53722	12.8
86.03640	2.3
86.52679	50.9
87.02789	7.2
87.52558	3.7
87.53477	2.2
88.02663	25.0
88.52743	5.7
88.53304	2.9
89.02532	3.3
90.52934	2.9
91.05459	4.3
92.52667	2.7
93.01886	8.6
93.07025	5.1
93.53455	12.1
94.03547	3.5
94.54260	2.6
95.04955	5.9
95.53196	43.9
96.03280	9.1
97.03187	3.8
98.03490	4.0
98.52651	4.5
99.04451	3.2
99.53451	13.8
100.02464	53.5
100.03464	2.4
100.52404	4.5
101.00864	25.9
101.02561	7.2
101.53184	3.4
102.00987	4.8
102.02378	23.3
102.52473	3.6
103.00681	2.8
103.02393	4.6
104.52638	3.2
105.00326	2.6
107.04021	2.5
107.04155	3.0
107.04931	27.2
107.08571	8.9
107.53194	3.8
108.53992	3.7
109.02867	5.7
111.02917	22.6
111.04306	2.4
111.52969	3.6
113.00858	6.3
113.53181	6.5
114.03280	3.3
115.02404	11.9
118.03499	42.8
119.01895	100.0
119.03631	3.7
120.02023	9.5
120.03338	4.5
121.01637	8.4
121.03461	2.9
122.53673	10.3
124.02433	12.9
128.01926	4.4
131.01878	52.2
132.02037	7.9
133.01671	2.1
133.03464	15.9
134.06004	12.1
134.07008	4.4
134.09648	4.8
134.54720	2.0
135.04384	16.3
135.05315	2.0
135.08055	6.0
135.11642	2.6
137.02951	18.3
138.03044	3.6
138.03983	3.2
142.03470	98.3
143.01848	15.7
143.03607	12.9
143.04608	2.6
144.02046	2.8
144.03239	6.9
145.03423	4.1
147.01376	3.9
147.05002	3.4
149.02954	14.7
154.03462	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.03195	0.3
53.03926	1.0
55.05497	1.2
59.47421	0.3
65.03928	0.4
71.26278	0.4
71.26593	0.5
73.73594	0.3
79.05481	3.7
91.05463	14.0
93.07037	3.1
95.04950	1.3
103.05443	1.9
103.48976	0.3
105.07015	36.3
106.07336	2.1
107.08581	1.1
115.05423	4.2
116.06269	0.7
117.07001	5.0
118.07801	5.5
129.06967	0.4
131.08540	5.6
133.10104	100.0
134.06029	0.3
134.10429	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01854	0.5
55.05502	2.0
65.03916	0.5
67.05485	0.5
67.38301	0.3
69.03442	0.6
70.06573	0.8
70.91244	0.8
71.01349	0.3
74.02419	1.6
77.03913	0.8
79.05478	5.1
79.07185	0.3
88.02204	0.8
88.03966	0.6
91.05465	15.3
91.06033	0.8
93.07028	4.7
93.18064	0.3
95.04959	1.5
97.02888	0.9
103.05460	2.6
105.07011	47.5
106.06635	0.7
106.07363	2.0
107.08527	0.8
115.05426	4.4
116.06280	0.5
117.06996	4.6
118.04158	0.5
118.07790	5.6
119.08088	0.5
123.07936	0.5
131.08559	5.5
133.02806	1.0
133.06499	8.5
133.10103	100.0
134.05972	2.4
134.06911	0.8
134.10449	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03940	1.5
53.32460	0.5
55.01840	0.7
55.05496	3.0
65.03936	0.7
68.62454	0.6
69.03411	1.2
69.80795	4.9
70.06583	0.8
71.04996	0.6
74.02409	1.1
79.05482	5.5
88.02193	1.0
88.03986	0.9
91.05470	19.8
92.05791	0.9
93.07025	5.4
95.04977	1.5
97.02878	1.5
98.21503	0.6
103.05441	3.2
105.03440	0.6
105.07018	65.1
106.06637	1.0
106.07358	3.9
107.08575	1.2
115.05428	6.1
116.06247	0.8
117.06986	4.8
118.07797	6.5
131.08557	9.9
133.02837	1.4
133.06474	5.6
133.10107	100.0
134.06003	2.7
134.06937	0.7
134.10460	6.9
152.76056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1007
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05501	1.4
57.38770	0.3
64.60838	0.3
65.03922	1.7
71.00369	0.7
71.00704	0.6
74.02408	0.7
78.04690	1.0
79.05482	1.4
88.02192	1.1
91.05463	100.0
92.05801	4.7
93.07028	0.6
95.04974	0.5
103.05462	1.1
104.06229	14.0
105.07017	23.0
106.04639	0.3
106.06554	0.4
106.07330	1.2
115.05431	0.6
117.07002	0.4
118.07800	0.7
131.08559	1.3
133.06459	1.3
133.07579	1.2
133.10106	22.9
134.05977	1.7
134.06985	0.7
134.09579	1.0
134.10474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0861
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
55.05481	0.4
56.05027	2.5
57.03438	0.3
64.83276	0.2
67.05482	0.4
69.03418	0.8
70.06592	1.4
70.81880	0.9
84.04501	1.7
84.08128	100.0
85.08450	3.1
99.50607	0.3
99.51273	0.2
103.19978	0.2
112.07579	2.9
112.11192	0.5
119.01889	0.3
123.19604	0.2
130.04948	0.4
130.08618	21.7
131.08983	1.0
139.04977	0.3
142.03471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0806
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
54.71085	0.4
54.78815	0.5
62.09434	0.5
63.14559	0.4
69.03365	0.5
69.67773	1.4
69.68198	2.5
72.04482	0.5
73.27946	0.5
78.30230	0.4
80.28768	0.5
86.06038	0.4
86.09699	2.2
91.05457	2.0
93.05756	0.6
95.04962	0.9
97.02885	0.9
98.21441	0.6
100.90059	0.5
103.05431	1.0
104.04979	1.3
105.07009	8.0
106.06548	0.5
115.05436	10.1
116.05768	0.8
117.05742	34.1
118.06084	1.8
118.63971	0.5
122.80746	0.5
130.06522	4.1
131.07288	3.6
132.04474	2.2
132.08069	100.0
133.06451	1.9
133.08409	5.6
133.10106	0.6
143.06004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1018
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.48497	0.4
54.73218	0.4
56.54411	0.3
58.06602	0.6
64.43579	0.4
69.07059	15.9
71.74292	0.8
86.09694	100.0
87.10036	2.9
94.29951	0.4
94.86390	0.5
95.15173	0.4
132.10162	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.6
55.01846	1.2
55.05510	2.2
56.05008	0.4
65.03936	0.6
67.05481	0.9
68.05006	2.3
68.05814	0.4
69.03410	1.5
69.07036	1.3
70.23901	0.8
70.24323	1.4
78.03428	2.0
79.01824	0.7
79.05475	16.9
80.04996	9.6
80.05772	1.1
81.04517	0.4
81.05362	1.0
81.05777	17.7
81.07027	6.8
82.02922	0.7
82.06122	0.6
82.06557	1.6
82.07373	1.0
83.04955	1.6
83.06086	0.7
94.06567	3.0
95.04936	2.5
96.04471	46.1
96.08107	31.3
97.02870	6.2
97.04166	0.5
97.04810	1.5
97.06511	1.6
97.07584	0.4
97.08435	1.3
106.06532	7.6
107.04941	1.3
107.06087	0.7
107.06802	0.4
107.08565	1.1
109.05222	0.9
112.03933	8.2
113.04209	0.5
119.01871	0.8
124.03926	100.0
124.07560	44.3
124.11993	0.4
125.02335	4.1
125.03132	0.5
125.03442	0.6
125.04256	5.3
125.05997	3.7
125.07077	1.3
125.07838	2.1
125.09589	2.3
133.26016	0.4
139.03156	0.4
140.03401	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	124.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03937	0.9
55.01867	0.6
56.05022	0.3
56.57399	0.3
56.96523	0.3
57.03416	0.6
58.06593	1.1
58.99862	0.6
59.07383	0.4
59.09995	0.3
59.85931	0.3
60.08145	0.5
66.18850	0.3
67.05488	1.1
68.05002	0.7
68.05827	0.5
69.03402	0.6
69.04523	0.3
71.01369	0.3
71.02959	0.7
71.04980	0.5
71.05456	0.3
71.05813	0.9
73.48893	0.3
77.00916	0.5
78.03442	0.7
78.04265	0.7
78.04703	2.1
78.06303	1.9
78.52937	0.8
79.01813	0.5
79.05479	1.0
80.05010	3.5
81.03380	0.3
82.01430	0.5
82.06565	0.5
82.29642	0.3
82.99838	0.6
83.06081	1.1
84.01169	0.4
84.84303	0.3
85.76748	0.3
95.04969	0.8
96.04475	11.6
96.05281	3.4
96.08109	0.8
97.02869	2.3
97.05309	0.5
99.04435	0.6
100.02461	3.5
101.00863	11.8
101.02531	5.2
102.00953	0.7
102.02230	4.4
104.05832	0.5
106.03695	1.0
106.06497	0.5
107.06059	0.8
110.04769	2.1
110.70042	0.3
112.03951	2.5
112.85609	0.4
117.10239	1.4
118.03522	2.4
119.01904	100.0
119.03620	4.0
120.01988	6.5
120.03220	3.4
121.01628	0.5
121.02381	0.5
124.03933	34.6
124.04771	10.5
124.07550	6.1
124.08681	2.7
125.02345	1.1
125.04264	1.2
125.06030	0.9
125.07094	3.1
131.01961	0.4
133.03413	0.6
137.02937	53.3
138.03027	3.9
140.03432	1.8
142.03484	7.6
143.03600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0757
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03938	1.8
54.03455	0.4
55.01854	1.5
55.05266	0.4
55.05500	2.8
56.05017	0.9
57.03421	0.7
63.45254	0.4
65.03935	0.9
67.05492	0.8
68.05013	3.5
68.05793	0.4
69.03426	2.1
69.07042	0.9
70.06562	0.4
70.27355	1.1
71.01347	0.9
77.03899	0.4
77.93211	0.4
78.03439	1.5
79.01860	0.6
79.05478	19.2
80.05001	11.2
80.05767	0.8
81.04533	0.5
81.05354	1.2
81.05780	19.5
81.07040	7.6
82.02917	0.7
82.06136	0.7
82.06560	2.7
82.07369	0.7
83.04969	2.3
83.06081	1.3
91.05434	0.5
94.06566	2.9
95.04963	2.0
96.04474	43.1
96.08115	32.2
97.02874	6.1
97.04803	1.5
97.06496	2.0
97.07677	0.6
97.08443	1.4
101.62270	0.4
102.02242	0.4
105.04515	0.7
106.06543	7.5
106.07236	0.3
107.04944	1.3
107.06037	0.9
107.08562	0.9
109.05247	0.8
112.03949	10.6
117.10202	0.4
119.01889	1.1
124.03933	100.0
124.07568	45.7
124.12015	0.6
125.02348	3.4
125.03444	0.6
125.04285	3.5
125.05992	3.9
125.07092	1.5
125.07887	2.5
125.09610	2.3
128.73438	0.4
140.03401	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	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
54.04295	0.6
55.01849	0.7
55.05502	2.5
56.96547	0.8
57.07057	2.5
65.03917	0.8
67.05491	8.8
68.05000	1.4
69.07051	1.5
69.65500	4.6
78.03428	1.7
79.01830	1.4
79.04255	0.6
79.05476	9.8
80.05004	22.2
80.05788	2.1
81.03405	0.7
81.07041	53.6
82.06539	0.7
82.07352	1.4
88.02353	1.6
90.32835	0.5
91.47971	0.6
92.35273	0.6
93.07030	1.3
95.04418	0.5
95.04948	13.5
95.06016	0.9
95.08582	11.3
96.04474	51.1
96.08133	1.0
100.02475	3.5
105.06979	1.1
106.02916	1.2
106.03693	1.9
106.06664	0.7
106.07330	2.6
108.05734	0.8
112.03941	7.9
118.03505	3.9
121.10137	0.7
123.04446	7.5
123.05528	60.0
123.08030	11.4
123.09117	1.6
123.11678	20.4
124.03929	100.0
124.07537	5.2
124.11995	0.9
130.33232	0.5
135.69598	0.5
140.03403	6.2
141.05081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01883	0.8
55.05500	9.9
57.07066	5.6
65.03925	2.4
67.05492	47.3
68.05019	1.0
68.05815	1.6
69.03388	1.0
69.07050	3.1
71.79975	1.1
73.25800	0.8
78.03448	1.1
79.05477	20.7
80.04997	11.7
80.06260	0.7
81.03412	1.6
81.05769	2.9
81.07039	100.0
82.06120	1.3
82.06567	15.0
82.07372	2.6
91.05456	1.7
93.07015	8.2
95.04950	24.8
95.08588	54.9
96.04477	27.5
96.08111	6.1
96.08901	2.2
105.04488	1.5
105.07029	4.3
106.06546	2.6
106.07339	5.1
107.04945	1.4
108.05709	7.4
108.09351	1.1
109.05260	1.4
112.03925	3.9
118.03489	0.8
121.06442	1.7
121.10138	1.3
122.19499	0.6
123.04414	10.0
123.05530	31.9
123.08044	53.7
123.11679	38.7
124.03928	55.0
124.07570	21.7
124.08399	2.6
124.12033	2.1
136.63295	0.8
140.03395	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	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03946	4.6
55.01872	0.9
55.05262	0.9
55.05503	11.2
57.07057	1.5
65.03925	2.5
67.05494	49.7
67.48382	0.8
68.05009	1.0
68.05812	1.6
69.03414	1.0
69.07057	0.7
69.82700	0.6
69.83030	4.8
76.55192	0.6
78.03465	2.9
78.38768	0.6
79.05480	8.7
80.05007	19.6
80.05753	1.1
80.06246	1.0
81.03083	0.5
81.03414	6.1
81.07044	32.6
82.06534	0.8
82.07346	0.9
83.04936	0.7
88.02374	0.7
91.05439	3.0
93.07030	10.3
94.63464	0.5
95.04956	43.9
95.08591	44.4
96.04480	46.1
96.08125	1.1
96.08916	2.1
100.02454	2.8
102.40055	0.7
103.05375	0.9
105.04497	1.0
105.07017	3.9
106.02895	1.7
106.03693	1.0
106.07349	2.0
107.04945	1.5
108.05730	3.2
112.03941	7.4
115.16758	0.5
118.03505	2.6
119.01945	0.8
121.10145	0.8
123.04443	9.3
123.05538	56.0
123.08048	100.0
123.11670	10.5
124.03934	91.9
124.05865	2.7
124.07546	3.9
124.08398	5.4
126.72953	0.7
140.03415	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	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.08381	0.9
51.02366	1.2
53.03936	7.3
54.04249	1.0
55.01856	2.2
55.05501	15.2
57.07056	4.2
58.95455	0.9
65.03919	2.9
67.05492	78.7
68.05013	2.6
68.05814	2.7
69.03445	1.0
69.07048	2.1
71.27109	2.1
71.27452	1.3
78.03472	2.3
79.05480	23.2
80.04999	20.2
80.05784	2.2
81.03397	2.1
81.05768	2.3
81.07042	85.9
82.06566	18.1
82.07368	2.7
91.05452	3.2
93.07028	13.5
95.04953	32.6
95.08586	91.6
96.04476	51.7
96.08100	4.5
96.08900	3.8
105.07006	7.1
106.02931	1.6
106.03693	1.3
106.06519	4.4
106.07343	3.2
107.04920	3.3
108.05717	13.2
112.03935	7.1
118.03500	2.6
121.06479	2.0
121.10066	1.2
123.04428	15.2
123.05532	57.0
123.08045	69.5
123.11026	1.0
123.11679	36.4
124.03929	100.0
124.07565	28.6
124.08436	2.8
137.59845	0.9
140.03389	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	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03935	3.3
55.01850	1.4
55.05498	3.6
57.07049	1.0
58.44153	0.4
64.84834	0.4
65.03920	1.5
67.05491	22.9
68.05004	1.6
68.05815	0.8
69.03413	0.6
69.07034	0.4
71.79750	0.5
78.03427	1.6
79.01852	0.4
79.05477	8.4
80.05003	18.9
80.05741	2.5
80.06227	0.7
81.03395	1.2
81.05331	0.5
81.07038	21.4
82.07396	0.8
91.05458	1.4
93.07031	4.9
95.04952	27.6
95.05968	1.0
95.08591	17.6
95.75248	0.4
96.04472	44.0
96.05235	1.4
96.08083	1.1
96.08909	1.0
100.02444	2.5
103.05446	0.9
105.03372	1.3
105.04491	1.4
105.06997	4.1
106.02962	0.9
106.03695	2.8
106.07335	6.7
107.04955	0.9
108.05698	2.6
112.03946	8.2
118.03518	2.3
119.01923	0.7
121.06525	0.6
123.04433	10.8
123.05529	50.0
123.06261	1.9
123.08042	59.0
123.11678	7.1
124.03925	100.0
124.07554	3.9
124.08401	3.5
138.19405	0.4
139.05019	0.5
140.03369	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	122.0963
Annotation	Phenethylamine
Peak:m/z	Relative Intensity
53.03931	0.4
61.22963	0.3
61.63248	0.2
67.83321	0.2
68.06067	0.3
71.03951	0.5
71.04323	0.5
71.43940	0.3
79.05470	3.4
86.19668	0.2
95.04914	0.8
96.29751	0.2
103.05443	2.7
104.81364	0.3
105.07006	100.0
106.07343	6.3
122.09650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26735	1.1
58.99842	1.2
68.47107	1.2
69.64828	1.5
71.21498	2.3
71.21806	1.8
71.41927	1.1
77.62323	1.2
82.01032	1.6
82.01428	14.6
83.01501	1.7
95.04967	1.4
96.53432	1.4
100.02470	100.0
101.00860	13.0
101.02535	9.2
118.03501	64.9
119.01907	97.2
119.03596	6.4
123.05531	1.4
124.03955	2.8
135.83681	1.3
137.02942	42.6
141.05061	2.1
142.03455	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	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02366	0.9
53.03935	7.3
54.20111	0.8
55.05490	1.8
60.12617	0.9
65.03927	15.5
67.05486	1.3
67.31182	1.0
77.03903	1.3
77.16153	1.1
79.05479	43.8
81.07034	1.1
83.56326	1.0
91.05462	21.0
92.05775	1.3
93.07025	37.6
94.06548	2.1
94.07357	2.1
95.04955	15.6
96.05259	1.1
103.05448	20.4
103.06075	1.9
104.05121	1.0
104.05763	5.1
105.03372	23.8
105.04485	3.0
105.07011	100.0
106.07908	5.1
107.04941	20.0
111.04430	10.8
117.43546	1.1
119.08560	9.5
121.02846	40.1
121.03954	9.1
121.06491	26.5
121.07491	1.6
121.07664	1.6
121.08407	10.7
121.10124	54.7
122.03210	2.6
122.06017	24.9
122.07285	9.7
122.09642	2.8
122.10456	4.6
123.08052	11.1
124.08346	1.1
133.07584	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	122.0601
Annotation	Benzamide
Peak:m/z	Relative Intensity
53.03940	5.0
54.04264	0.6
55.01862	1.4
67.05506	2.8
71.11663	1.5
77.03913	1.7
79.05482	76.3
80.05023	4.0
80.05810	2.5
81.03403	0.9
81.07037	4.9
94.06552	1.4
95.04957	21.7
95.08606	1.7
96.04452	1.1
100.02474	0.9
103.05460	2.3
104.04961	0.7
105.03380	100.0
105.04523	3.1
105.07016	70.7
106.03701	4.1
106.07346	2.8
118.03505	0.6
122.06014	66.0
122.09637	2.3
123.04429	5.1
123.05531	12.5
123.06368	2.2
123.08063	3.7
123.11691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02376	1.1
53.03937	7.6
55.01870	1.5
55.05496	2.1
65.03932	4.8
66.04275	0.7
66.32478	0.8
67.05499	1.8
71.78229	1.3
77.03927	0.9
77.95004	0.6
79.05480	35.2
80.05009	1.0
80.05785	1.0
81.03405	0.9
81.07059	0.7
81.86634	0.6
88.41212	0.7
91.05461	19.5
92.05796	1.3
93.07030	37.3
94.06568	3.4
94.07356	2.8
95.04950	13.8
101.02857	0.8
103.05454	19.6
104.04978	0.7
104.05775	1.4
105.03381	13.1
105.04514	2.8
105.07014	100.0
106.07283	2.6
106.07810	3.7
111.04433	3.6
119.08567	10.9
120.08936	0.8
121.02848	10.9
121.03961	4.0
121.05700	1.4
121.06490	20.7
121.10122	63.4
122.03180	1.0
122.04143	0.7
122.06014	13.2
122.06952	1.9
122.09642	2.6
122.10464	3.5
123.07217	1.3
123.08054	13.2
124.08432	1.0
133.07585	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	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02379	1.4
53.03708	0.9
53.03941	12.2
54.04239	0.5
55.01856	1.6
65.03918	1.0
69.22153	0.4
71.48247	1.2
77.03915	2.7
79.05486	0.5
81.03380	1.5
81.82878	0.5
85.84063	0.5
91.05464	43.5
92.05801	2.0
93.07027	46.9
94.07341	2.9
95.04951	24.2
95.05576	0.6
96.05295	0.6
102.04686	1.1
103.05450	58.6
104.05780	1.9
105.04499	3.7
114.78117	0.5
121.06485	100.0
122.06808	6.3
127.30859	0.4
131.45798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03738	0.8
53.03936	8.7
55.01858	1.8
55.05504	5.8
65.03932	17.3
66.04273	1.0
67.05510	1.8
70.59682	2.8
70.60030	0.9
77.03925	1.8
79.05482	43.5
80.05014	1.0
80.05799	1.9
81.07043	3.0
91.05466	36.3
92.05788	1.8
93.03409	1.0
93.04500	1.1
93.07030	88.2
94.06558	3.1
94.07377	5.8
95.04951	19.7
96.05301	1.1
103.05453	26.3
104.05756	1.6
105.03380	19.3
105.04488	3.3
105.07014	100.0
106.07790	3.1
111.04440	10.1
119.08569	6.5
121.02848	36.1
121.03950	8.9
121.04809	1.3
121.06488	27.5
121.07468	1.5
121.07661	1.3
121.08389	1.6
121.10121	49.3
122.03222	2.6
122.06013	16.9
122.06939	2.7
122.09645	3.6
122.10466	3.5
123.08047	6.3
133.07610	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01846	1.6
65.03928	33.3
66.04248	1.1
68.22806	0.5
68.99777	2.1
71.01335	2.0
71.20428	1.1
71.20754	0.7
79.05467	5.2
91.05450	3.1
92.05798	0.7
93.03408	0.7
93.07016	3.9
94.06562	0.8
94.07351	0.6
95.04958	2.4
100.63403	0.6
103.05439	3.1
105.03376	5.5
105.04491	0.7
105.07011	14.5
109.02931	0.8
111.04423	26.5
112.04783	0.8
119.65308	0.5
121.02848	100.0
121.03950	20.2
121.06449	4.9
121.08367	0.8
121.10120	3.4
122.03172	3.9
122.06010	4.9
122.09627	1.0
123.08028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.8
65.03930	33.7
66.04247	1.4
68.99780	0.9
70.38539	2.8
70.38917	1.3
71.01333	1.3
72.60085	0.6
105.06988	0.8
111.04427	26.5
121.02854	100.0
121.03954	19.3
122.03156	4.7
136.35327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
53.00278	0.7
53.03939	13.1
53.52785	0.4
54.04259	0.5
55.01862	1.6
65.03930	0.7
65.47810	0.5
70.15971	2.1
70.16379	1.1
77.03913	3.2
81.03410	1.4
91.05464	48.7
92.05793	2.2
93.07027	51.9
94.07351	2.4
95.04951	30.2
96.05302	1.0
102.04699	0.8
103.05450	66.2
104.05805	2.7
105.04490	5.1
121.06484	100.0
122.06827	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	120.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.90332	0.8
61.96140	0.9
65.03919	1.5
71.11486	1.4
72.47240	1.0
74.06054	1.5
74.08756	1.1
79.05471	2.3
80.43490	0.9
91.05465	7.4
92.05759	2.0
93.07028	14.6
95.04936	3.4
100.49009	1.0
103.05448	48.5
104.05760	2.8
105.04534	1.1
105.06999	3.2
106.17849	1.1
118.06482	1.4
120.04469	1.3
120.08081	100.0
121.02832	1.8
121.06490	3.4
121.08383	6.5
121.10094	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1190.7273
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04942	0.3
84.08121	1.0
85.02886	2.2
86.09689	100.0
87.04449	0.2
87.05580	0.3
87.10011	0.9
88.03933	0.2
88.07611	21.0
90.05532	0.9
91.05435	0.4
93.07010	0.5
95.01341	0.4
95.04948	0.4
96.04472	0.6
96.08104	0.5
97.02893	0.2
98.05420	0.4
98.06043	4.2
98.09677	0.8
98.16360	0.2
100.03994	1.0
100.11235	57.0
101.11572	0.8
102.05523	0.3
103.05463	1.0
105.06979	0.4
108.08086	0.2
110.06048	0.4
110.09661	0.9
112.03959	0.5
112.07603	0.7
112.11236	1.3
114.09145	20.4
114.12803	0.4
115.03871	0.3
115.08688	0.5
115.09470	0.3
116.03460	0.2
116.07078	3.6
117.35594	0.2
120.08081	22.0
121.08451	0.2
124.03889	0.3
124.07523	0.5
125.10757	0.2
126.05496	4.6
126.09132	0.8
127.08636	1.3
127.12283	0.5
128.10692	5.7
130.04991	0.4
130.08621	1.2
131.03383	0.7
132.08083	0.2
132.10181	0.9
136.11183	0.5
138.05449	0.3
138.09140	0.4
138.12730	0.4
139.08667	0.6
139.12245	0.3
140.07086	0.3
140.14380	0.3
141.10242	0.2
142.04999	0.8
142.08614	6.5
142.12340	0.3
144.06528	1.5
146.11729	2.2
148.06010	2.0
150.09140	0.5
152.10693	0.5
154.15863	2.2
155.11780	1.0
155.15366	1.0
156.10196	2.5
157.09630	0.5
157.13298	1.1
160.06049	0.2
162.09126	0.3
166.08597	0.2
166.12267	0.6
167.08168	0.8
167.11792	0.5
168.06570	0.3
168.10211	0.9
168.17499	0.3
169.08542	0.3
169.09808	0.2
170.11728	1.2
173.12845	2.8
180.10182	1.8
180.17502	0.2
181.09648	0.3
182.11815	0.7
183.11438	1.2
183.14897	15.3
184.15233	0.3
185.09235	0.5
185.12856	0.7
188.12914	0.2
188.14293	1.2
194.11772	0.7
197.16467	1.4
198.11215	3.8
198.12869	0.3
199.18236	0.3
201.12309	1.6
201.15950	10.3
208.09659	0.4
209.12923	0.3
210.11325	0.3
210.14920	1.2
211.14383	5.9
211.16272	0.4
212.12778	0.4
214.18024	0.3
216.12270	4.7
217.13350	1.3
223.18098	0.8
224.16420	2.8
225.15919	2.7
225.19540	0.3
226.10718	1.6
227.17503	3.1
229.15430	4.5
229.17653	0.3
233.16452	8.4
234.13248	2.7
234.16920	0.3
235.14052	0.2
239.13919	0.2
241.19043	2.0
243.17102	0.3
244.11758	7.1
245.09241	0.4
245.12788	0.6
248.14809	0.2
252.17046	0.3
253.15422	0.5
253.19272	0.3
258.13287	1.3
261.15936	6.6
261.18591	0.4
262.12830	4.1
263.10349	0.3
263.13724	0.2
268.20255	1.0
271.20193	0.2
272.11295	0.6
275.17691	0.4
276.14389	3.2
280.16510	1.1
281.14978	0.3
290.12421	0.9
292.20255	0.3
296.19803	1.0
297.14496	0.3
298.17664	0.6
298.21329	1.4
301.22882	0.7
306.21967	0.4
310.21155	1.2
311.19482	1.3
312.22879	0.3
313.17459	0.3
314.20862	0.4
315.15500	0.6
323.15973	2.7
324.22775	14.5
325.17950	0.3
328.22174	2.3
330.18054	2.7
331.18735	0.4
333.16455	1.2
338.24338	2.6
341.17032	3.9
342.23819	17.7
343.14975	0.3
343.22568	0.4
348.19254	0.9
354.27524	0.7
356.25653	0.5
359.18082	4.8
361.15997	0.4
361.23129	1.0
369.16519	1.2
371.21713	0.5
373.19809	0.3
374.24347	2.3
377.19382	0.6
387.17471	1.4
388.25766	0.3
389.22824	2.6
393.25214	0.3
398.24097	0.3
415.26920	0.6
423.29834	0.4
425.27414	0.6
436.24695	0.4
437.30960	1.2
441.30600	1.3
443.26428	3.9
444.26749	1.0
451.32892	1.4
454.25687	0.3
455.32452	0.9
457.27963	0.5
458.28839	0.7
460.26727	0.7
461.27667	1.5
468.27484	0.6
469.33835	2.0
471.29459	0.3
472.26559	0.5
474.31866	0.3
475.29449	0.3
486.28064	4.6
489.30911	0.5
502.31415	0.8
504.29138	0.5
528.35846	0.4
538.36078	0.7
546.36273	0.3
549.32904	0.5
556.34937	5.2
567.33923	1.3
570.36615	1.6
571.33575	0.6
573.34821	0.5
574.35919	1.6
581.35925	0.4
584.38263	0.4
585.34955	1.5
588.37061	1.0
589.34558	0.4
599.36401	4.6
602.39185	0.3
603.35712	1.3
613.34454	0.4
617.37372	2.0
668.38672	1.1
669.44501	0.3
671.41266	0.5
683.44873	1.1
686.40674	2.2
687.44330	0.4
694.43927	0.8
701.45880	5.1
702.44385	0.3
704.40973	0.7
712.44812	7.3
719.46930	0.7
730.45789	9.6
731.46722	0.5
758.46631	0.3
763.45392	0.3
766.48639	0.6
781.46753	1.7
784.49945	0.8
798.51196	0.6
799.48132	3.3
802.50977	0.9
814.55011	0.5
817.49329	1.3
825.52679	1.2
832.54999	0.6
843.53809	1.1
849.49127	1.5
859.50372	0.3
885.58405	1.3
886.55542	0.3
894.55859	0.4
903.59204	0.4
911.59412	3.6
912.56427	2.0
916.56592	0.3
929.60626	5.1
930.58356	1.0
934.57648	0.6
944.56921	0.6
947.61340	0.8
962.57611	3.2
990.62549	0.2
1015.59436	0.3
1031.63013	0.3
1041.61951	1.2
1059.63013	2.7
1077.63733	0.5
1087.62817	0.3
1126.72888	0.3
1128.68530	0.8
1136.69531	0.7
1144.72144	1.1
1146.70325	2.5
1147.68616	0.4
1154.45020	0.3
1154.70667	5.2
1155.71338	0.3
1162.73242	1.1
1172.71631	27.9
1173.71631	2.4
1190.72656	12.3
1191.72620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03931	1.8
65.03907	2.4
70.45125	1.4
73.08492	0.5
74.06067	1.3
78.04707	0.6
79.05485	6.0
83.30438	0.5
91.05463	83.6
91.69574	0.4
92.04978	0.5
92.05286	0.5
92.05787	4.2
93.07027	4.9
94.07404	0.5
95.04929	2.7
96.05245	0.4
103.04814	0.8
103.05454	11.0
104.06243	7.5
105.12066	0.5
109.06497	1.2
115.05419	4.6
117.06996	27.4
118.07324	1.7
119.04904	1.2
119.06068	1.4
119.08558	100.0
120.04404	0.9
120.05553	1.6
120.08074	3.9
120.08899	6.5
121.06483	0.7
131.06033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0855
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03930	1.6
55.76740	0.7
56.05011	1.1
56.22483	0.8
62.34023	0.7
65.03915	2.6
68.49123	0.8
71.14110	1.3
74.06075	1.1
79.05475	6.5
89.17690	0.7
91.05462	72.1
92.05013	0.9
92.05791	4.2
93.07024	8.8
95.04950	2.3
103.05449	30.0
104.06229	5.5
106.24830	0.7
115.05446	2.7
117.07005	16.7
118.06551	0.8
118.07346	1.1
119.08559	100.0
120.04398	1.5
120.05557	2.3
120.08090	48.2
120.08894	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	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
56.05011	1.2
58.23246	0.5
65.03607	0.8
65.03928	10.9
65.63186	0.4
69.85873	2.4
69.86302	1.5
74.06065	2.4
79.05478	1.6
84.70921	0.4
91.05466	100.0
92.04992	1.4
92.05795	5.4
93.07050	1.7
95.04951	1.3
96.04511	0.5
102.05523	0.7
103.05455	8.6
104.06210	1.6
115.05437	0.5
117.06978	4.2
119.04926	36.4
119.06815	1.4
119.08558	22.6
120.04416	1.3
120.05417	3.5
120.08096	12.6
120.08897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03937	1.5
53.18272	0.5
53.85122	0.6
56.05019	2.4
65.03928	5.8
71.68626	0.7
74.06071	3.2
75.04456	0.6
79.05488	4.0
91.05466	100.0
92.04978	1.1
92.05804	4.3
93.07031	3.8
95.04964	2.1
96.04481	0.7
96.65012	0.6
103.05447	11.8
104.06221	4.9
105.04564	0.8
109.75056	0.6
110.06146	0.6
115.05448	1.7
117.07000	12.2
119.04922	15.3
119.06046	2.3
119.08560	68.8
120.04450	2.1
120.05593	3.6
120.07265	1.1
120.08079	15.0
120.08904	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03934	1.7
56.05025	1.4
62.36759	0.6
65.03926	3.7
69.98508	3.1
73.75455	0.6
74.06060	2.7
74.06435	0.5
74.32056	0.6
78.04705	0.6
79.05478	5.6
81.03336	0.5
82.22769	0.5
82.54690	0.5
91.05463	100.0
92.04969	1.7
92.05791	5.5
93.07024	5.1
95.04949	1.8
95.14284	0.6
96.04465	1.2
96.05282	0.6
98.20755	0.9
103.05447	14.3
104.06232	7.0
105.04497	0.8
109.06491	1.9
115.05452	3.8
117.06999	26.8
118.07301	1.5
119.04915	2.3
119.06057	2.3
119.08559	88.2
120.04436	2.6
120.05584	4.5
120.08073	8.9
120.08895	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	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
56.05020	1.1
58.08062	0.5
59.06107	0.6
65.03928	10.9
71.27545	1.5
74.06058	1.7
78.41019	0.7
79.05485	1.3
91.05465	100.0
92.04964	1.7
92.05792	4.3
103.05439	2.2
117.07020	1.2
119.04926	40.0
119.05958	1.6
119.08574	9.1
120.04475	1.3
120.05434	2.5
120.08060	3.4
120.08863	0.8
121.54561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0491
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02388	0.4
56.05023	0.9
65.03927	9.8
65.26436	0.3
70.73264	1.3
73.08485	0.6
74.06071	1.4
76.71744	0.3
77.12283	0.4
79.05478	1.2
88.89491	0.3
91.05460	100.0
91.34120	0.3
91.72667	0.3
92.04973	0.5
92.05797	3.8
93.07031	0.9
95.04951	0.7
102.05511	0.4
103.05438	3.2
104.06247	0.4
109.06496	0.7
111.04414	0.4
117.06987	2.4
119.04916	35.5
119.05972	1.3
119.06824	1.1
119.08547	12.7
120.04424	1.0
120.05374	2.2
120.08087	5.9
120.08861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0651
Annotation	Indole
Peak:m/z	Relative Intensity
51.02368	1.5
51.62061	1.1
53.03941	8.9
55.05506	1.1
71.40081	1.5
71.40430	2.4
72.08145	11.1
74.80356	1.0
76.93357	2.6
91.05466	33.7
94.94395	1.2
95.04953	16.3
105.04489	2.9
105.87206	1.2
117.05709	1.9
118.06524	100.0
119.06066	1.2
119.06863	4.2
119.08576	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	118.0651
Annotation	Indole
Peak:m/z	Relative Intensity
51.02331	3.2
53.03936	37.9
55.01858	3.5
55.05487	5.2
57.06523	2.1
60.98167	2.2
65.22473	2.3
66.75234	2.1
70.22547	2.2
70.49458	7.8
71.18771	2.2
72.07753	2.9
72.08140	46.5
77.03895	6.6
79.05461	3.1
81.03392	4.5
91.05470	61.2
92.52859	3.8
95.04951	73.0
96.05290	2.6
103.05434	3.3
105.04482	15.6
115.64043	2.5
117.06989	9.1
118.06518	100.0
118.08634	7.0
118.18740	2.0
119.04901	3.5
119.06054	4.6
119.06844	5.9
119.08563	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0863
Annotation	N-Methyl-a-aminoisobutyric acid
Peak:m/z	Relative Intensity
52.02548	0.3
53.03925	0.3
55.05225	0.7
55.05501	13.9
56.05014	0.3
57.05795	0.8
58.06588	10.2
59.07371	12.1
70.15041	1.4
70.15436	0.7
70.34008	0.3
72.08141	100.0
73.08468	2.6
85.94250	0.3
91.05457	0.8
98.20742	0.4
118.08633	50.8
119.08990	1.4
122.77953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93549	1.5
58.99849	1.9
59.06099	6.1
60.04506	2.2
65.03918	3.5
67.05473	3.7
68.95273	2.1
69.03412	20.3
70.34676	8.5
71.02930	1.7
73.02917	1.9
73.06535	2.6
75.39903	1.7
78.52926	4.0
79.05463	4.0
81.03358	1.9
82.01420	3.2
84.89571	1.7
86.52670	5.0
87.53455	4.8
91.05461	93.7
92.04985	3.5
92.05782	4.1
93.07020	3.8
93.53439	4.1
94.54214	2.5
95.01894	1.7
95.53223	1.8
98.21418	2.2
99.53483	2.4
100.02458	30.1
101.00856	11.3
101.02509	8.5
102.02222	6.7
103.02431	2.9
106.02651	3.8
106.04193	2.5
107.05215	5.3
107.53173	4.3
116.05701	6.3
117.07024	3.0
118.03498	22.3
119.01893	100.0
119.03613	6.8
119.04889	2.8
119.06026	7.4
119.08554	18.4
120.01913	8.6
120.03234	4.2
120.04492	4.2
120.05579	5.6
120.08121	2.5
121.03445	5.4
122.76229	1.7
131.01909	1.6
133.03432	3.8
135.05000	1.9
137.01872	3.3
137.02927	59.9
138.03020	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	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.99476	1.0
51.02368	2.9
53.03939	30.6
53.20071	1.0
55.01852	1.6
55.05500	11.8
56.05006	1.1
58.06578	1.8
60.17340	1.0
69.27546	1.0
69.91293	7.6
70.06577	1.1
72.04503	1.0
72.08144	73.0
73.08459	1.3
76.93353	2.6
77.03912	4.7
79.05499	2.0
79.89725	1.0
81.03386	2.9
83.52348	3.2
88.41499	1.2
91.05469	57.4
92.52867	3.1
94.94370	1.1
95.03129	1.9
95.04954	67.5
96.04463	4.7
96.05230	1.1
98.21396	1.2
100.07591	2.2
103.05441	2.4
104.06235	1.9
105.04494	16.2
109.06491	1.6
117.06996	4.8
117.33089	1.2
118.06525	100.0
118.08621	7.7
119.04996	2.7
119.06052	6.3
119.06872	3.9
119.08553	28.0
124.35369	1.0
132.20241	1.2
134.94743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	3H-Indole
Peak:m/z	Relative Intensity
53.03937	11.2
55.01870	1.5
55.05502	13.0
56.05021	0.8
56.05840	0.8
57.03433	0.9
58.06588	16.8
59.04995	1.9
59.06118	1.6
59.07373	15.2
65.03941	1.6
68.95288	2.8
69.03419	1.6
70.03750	0.7
70.06571	0.9
71.53658	1.0
72.04509	0.8
72.08142	100.0
73.02897	1.3
73.08482	2.9
73.45387	0.7
74.36752	0.6
76.07641	1.3
76.93365	4.3
77.03902	1.4
78.05422	0.7
79.05453	0.7
84.08117	1.3
91.05464	34.0
94.54248	1.1
94.94395	1.3
95.04955	22.8
100.02476	4.7
100.07601	2.0
101.06018	2.0
105.04491	4.5
106.05051	3.1
110.05514	0.7
112.07577	3.6
115.05519	1.0
116.48149	1.0
117.95957	0.8
118.03527	3.4
118.06524	34.4
118.08635	69.4
119.01904	3.7
119.03533	2.4
119.04943	2.0
119.06052	1.8
119.06865	1.7
119.08479	4.2
120.03239	0.7
130.73721	0.7
137.02922	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1176.711
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04457	0.8
84.08125	0.5
84.66988	0.3
85.02888	2.1
86.09686	100.0
87.05561	0.6
87.10004	1.0
91.05462	0.4
96.04491	0.5
96.08104	0.4
98.09669	0.4
98.47964	0.4
100.11231	82.9
100.68456	0.4
101.07117	1.0
101.11554	1.1
102.05537	0.5
103.05449	1.3
105.06982	0.6
110.09643	0.9
112.03908	0.3
112.11232	0.6
113.02316	0.4
114.09140	30.4
115.09462	0.5
120.06640	1.0
120.08075	27.9
121.08405	0.6
124.11206	0.8
125.10724	0.6
126.05492	0.3
126.09085	0.6
128.10681	6.2
130.04976	0.4
130.08614	0.7
131.03372	1.6
132.10170	1.0
141.13861	0.5
142.08606	11.5
142.12239	1.4
143.11722	0.6
146.11749	3.4
148.05981	1.7
152.10706	2.1
154.15874	3.9
155.11708	1.3
156.10176	2.4
166.08554	0.9
167.11749	0.9
169.13303	1.2
170.11758	0.8
173.12810	4.1
176.10674	0.5
180.10139	1.2
181.10982	0.4
182.11710	0.5
183.11206	1.3
187.14369	6.6
188.14311	1.8
197.12773	3.8
198.11232	1.9
201.12267	2.4
210.14871	1.8
213.19514	0.4
214.17947	0.7
215.13878	2.2
216.12242	1.5
224.16350	1.7
226.10739	0.8
227.17519	5.6
233.16422	8.6
234.13367	2.1
237.19411	0.5
241.19098	1.8
244.11760	8.6
247.17804	0.4
251.17403	0.5
255.20647	0.4
258.13330	0.8
261.15912	7.5
262.12796	2.6
268.19955	0.5
269.18509	0.4
272.11288	0.7
275.17471	0.5
276.14359	6.5
281.14865	0.6
281.25760	0.4
282.21606	0.8
290.12201	1.7
291.13297	0.7
296.19653	1.6
299.15823	0.4
301.13708	0.6
301.22565	0.9
309.14230	1.6
310.21225	2.6
311.19440	0.4
314.20630	0.4
317.17004	0.4
324.22421	0.8
327.15436	3.3
328.22256	10.0
329.22031	0.8
330.18076	3.6
338.20386	0.4
342.23590	1.3
343.22360	0.6
345.16348	2.9
347.14276	0.4
348.19025	1.1
354.27341	0.4
355.15085	2.1
361.23016	1.6
363.17413	1.1
371.21732	0.5
373.15720	1.2
374.24344	2.0
376.92041	0.4
389.22626	2.4
391.16934	0.6
394.23093	0.9
396.28516	0.8
415.26468	0.5
422.22464	0.7
423.29303	0.8
427.28760	0.3
440.23669	0.6
441.24997	0.5
441.30603	7.6
442.30682	0.4
443.21204	0.4
443.26300	3.3
446.24304	0.5
454.24991	0.9
455.32092	1.7
457.27560	0.5
458.24570	1.2
461.27017	1.6
472.26511	4.1
486.23630	0.4
490.27173	1.0
502.31186	0.5
528.34357	0.6
535.30493	1.2
546.36548	0.4
548.64838	0.4
553.31561	1.5
556.27039	0.4
556.34888	6.1
557.34698	1.3
559.32538	0.6
567.33185	0.4
570.35999	1.0
571.32599	1.4
574.35840	2.3
575.35840	0.6
585.34796	4.5
588.37085	0.5
589.25714	0.4
589.34344	4.3
603.35736	4.6
618.99567	0.4
672.39130	1.1
680.41766	0.7
683.44598	0.8
687.43793	0.6
688.43823	0.8
698.43292	9.3
701.45782	5.0
716.44202	35.1
717.44873	2.5
719.46417	0.8
734.44147	0.5
736.40430	0.5
767.44153	1.4
770.47205	0.5
785.47040	2.4
803.46912	1.7
811.51965	2.2
829.52625	3.6
839.63367	0.4
845.48773	0.6
849.47919	1.0
863.49176	1.2
880.52649	0.7
897.57977	1.7
898.54773	5.4
915.58777	1.7
916.56470	3.5
932.51501	0.5
934.57727	0.5
944.57355	0.5
962.57837	2.0
976.58173	0.5
984.59656	0.5
1027.60059	1.6
1045.61572	6.9
1046.59839	0.8
1063.63782	2.0
1122.66040	0.7
1130.68726	0.8
1132.66541	0.5
1140.68506	3.8
1148.69751	0.7
1158.69922	16.8
1159.69910	1.8
1176.71057	8.8
1177.68628	1.2
1204.90576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0755
Annotation	trans-3-Hexenoic acid
Peak:m/z	Relative Intensity
53.00294	1.0
53.03931	1.5
55.01863	5.7
55.05500	8.6
56.05025	1.1
56.96575	0.5
57.03422	7.8
57.93553	0.9
59.03718	0.7
59.04988	14.4
65.00472	0.5
67.05492	3.9
68.05815	0.6
69.03417	8.8
69.07056	100.0
70.02913	1.0
70.06580	26.5
70.07381	3.7
70.47791	1.6
71.01353	0.7
71.04967	1.5
72.04513	0.9
72.93785	0.5
73.02910	1.9
73.04858	0.5
73.06541	36.4
74.06864	0.7
74.93814	8.7
75.44889	0.5
79.05476	10.0
80.05829	1.3
85.02901	1.0
87.00825	3.0
87.04452	17.5
88.04755	0.5
88.07634	1.6
92.94861	3.2
93.75480	0.6
95.04972	1.1
97.02854	2.6
97.06513	40.3
98.06043	2.0
98.06845	2.4
111.92895	0.5
115.03910	17.5
115.07544	6.6
115.08709	1.1
115.09464	8.1
115.96423	1.5
116.07075	4.8
116.10726	2.0
133.97458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.2
53.03933	0.5
53.99827	0.2
54.03459	1.4
54.96170	0.2
55.01851	0.4
55.05500	9.8
56.05026	1.3
56.05825	0.3
57.07065	0.4
58.06589	3.1
59.06116	0.9
65.03918	0.3
67.02989	0.2
67.05492	1.1
68.05013	3.1
69.03403	0.2
69.04540	1.0
69.07053	36.7
70.02944	0.3
70.06577	76.2
71.02438	0.2
71.06100	2.4
71.06905	1.1
71.07345	0.4
72.06899	0.2
81.04516	0.4
82.05310	0.5
82.06562	0.6
83.04967	0.5
83.06089	2.0
83.06876	0.3
83.08609	0.3
84.04481	0.4
84.05616	0.4
84.06420	0.3
84.08138	1.3
85.07649	11.1
93.04505	0.2
93.06978	0.2
94.02879	0.2
94.04822	0.2
94.06544	2.2
95.02399	0.2
95.06074	10.6
96.05572	1.1
96.06841	1.3
97.00992	0.5
97.06386	2.0
110.07153	2.2
111.04442	1.3
111.05574	3.4
111.09182	100.0
112.03954	0.9
112.05116	1.4
112.08706	84.1
115.96413	0.3
126.97516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
54.04267	0.5
55.01851	1.0
55.05502	3.5
57.05804	0.9
57.93544	0.8
59.52188	1.0
65.03915	1.5
66.49130	0.4
66.52941	1.5
67.02986	0.4
67.04229	1.5
67.05473	0.8
67.37349	0.3
67.49149	0.4
68.05011	0.9
68.05779	0.4
68.45311	0.4
68.95275	2.4
69.03400	1.5
69.07055	0.8
69.53236	0.4
70.06564	0.5
70.15211	1.9
71.02958	1.0
72.04504	5.6
72.93790	1.2
73.05285	1.9
74.06069	1.6
74.52686	0.4
74.93803	0.4
75.53043	0.6
75.53474	9.2
76.03532	1.5
76.49678	1.0
76.53344	0.8
77.00877	0.9
77.99947	0.9
78.03730	3.7
78.08139	0.4
78.52946	1.2
78.53804	0.4
78.99932	0.9
79.01834	0.5
80.04971	0.7
81.03390	1.2
82.01426	1.7
82.03722	1.7
82.06567	8.6
82.07307	0.3
83.04967	3.2
84.54003	4.1
85.04047	0.5
85.53724	1.7
86.50581	2.1
87.00449	19.9
87.04265	100.0
87.50539	1.1
87.53528	0.4
87.54330	13.5
88.00465	34.4
88.04116	6.6
89.54545	0.4
90.50697	0.3
90.94801	0.5
91.05540	0.4
92.05008	0.7
93.03394	0.7
93.07062	0.4
94.05030	0.6
94.55070	0.3
95.51128	0.6
96.00953	3.2
96.04784	16.5
96.54839	2.0
97.00983	42.1
97.04605	1.5
98.51244	1.9
98.52667	0.9
98.54425	0.5
98.55051	7.5
99.04310	0.4
99.05157	1.2
99.51249	4.5
99.54912	0.9
100.02462	9.8
101.02544	1.0
102.02196	0.8
104.01887	0.4
105.00313	1.0
106.01500	4.3
108.51759	2.0
108.95846	0.4
110.06018	16.9
110.09678	0.5
111.04421	7.1
111.05190	0.5
111.05555	0.8
111.06377	0.6
111.08037	1.2
111.09167	1.3
112.96677	0.7
113.96381	9.5
115.96419	16.2
116.97206	5.3
116.98015	0.4
118.02682	0.6
118.03491	7.4
119.03559	0.4
123.01373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1094.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
81.28008	0.2
95.08516	0.3
178.44960	0.2
197.64404	0.2
373.14227	0.2
388.16660	0.3
389.17633	0.7
401.18036	0.5
402.18289	0.8
403.19116	2.8
404.19659	1.1
405.20566	0.9
415.19641	0.6
416.19894	1.0
417.16068	0.5
417.21176	3.0
418.21783	1.5
419.22208	2.5
429.21460	0.4
430.16931	0.4
430.22003	0.5
431.17990	6.7
431.23346	0.6
432.18240	1.4
432.23895	0.5
433.23965	8.8
434.24658	1.1
444.18607	0.4
444.23871	0.4
445.19757	8.9
446.20523	3.5
447.21698	3.0
449.23218	0.4
458.20102	0.3
459.21399	4.4
460.22443	9.8
461.16537	0.6
461.23209	11.3
462.24042	0.4
472.22488	0.3
473.23465	3.4
474.24078	1.0
477.22922	0.4
487.25198	1.7
488.25360	0.6
489.22629	0.5
491.24405	0.7
492.25363	0.5
504.24994	0.4
505.21518	2.1
506.26697	0.5
515.24609	0.6
519.28833	1.2
532.24658	0.6
547.26935	54.6
548.27252	3.8
575.26343	1.3
578.24872	0.3
579.29742	1.4
592.26599	0.4
607.29016	100.0
608.29327	6.0
741.76630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03937	9.8
55.01838	1.2
55.05497	8.1
59.61924	1.0
62.45788	0.9
65.03919	4.3
67.05492	100.0
68.05820	2.7
69.07045	5.8
70.26676	3.6
70.27086	2.1
75.88340	1.0
79.05007	1.5
79.05471	23.4
81.03401	16.8
81.07040	46.3
82.06556	3.8
82.07346	1.9
86.00692	1.3
86.50598	1.6
87.00446	16.1
89.19604	0.9
90.62885	1.2
91.05473	4.8
92.05798	1.6
94.04177	2.7
94.07797	1.4
96.00963	3.8
98.51207	1.5
107.08572	4.4
109.02856	4.2
109.06495	40.8
109.07614	1.7
109.10136	74.9
110.06043	11.5
110.06763	1.7
110.10458	4.0
112.96690	1.2
113.96370	6.8
128.91409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03707	0.6
53.03940	8.8
55.01858	4.4
55.05494	2.2
55.93516	0.9
56.14392	0.6
57.80908	0.5
65.03925	2.6
66.04698	0.6
67.04237	1.3
67.05495	18.5
69.07060	1.7
69.95475	0.5
70.26748	1.6
70.68882	0.5
70.94270	0.6
71.94070	0.5
72.93780	3.2
77.25439	0.5
77.99912	2.8
79.05483	28.0
80.05830	0.9
81.03410	12.0
81.07047	32.5
82.06564	8.1
82.07336	1.0
86.00690	4.8
86.50603	7.9
87.00453	54.4
87.75888	0.5
89.50743	0.6
90.94785	1.0
91.05465	8.6
92.04996	0.7
93.83831	0.5
94.04166	2.0
95.01221	1.1
95.51119	1.4
96.00973	9.7
96.04486	0.7
97.51499	0.6
98.01405	1.0
98.21366	0.8
98.51241	9.5
101.25723	0.5
107.04949	1.1
108.95821	0.7
109.02869	2.8
109.06503	100.0
109.07552	2.7
109.10141	14.2
110.02016	1.1
110.06026	13.9
110.06821	3.2
111.96848	2.4
112.96689	2.2
113.96384	24.0
121.34259	0.5
123.68375	0.6
129.97844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0285
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.76929	1.0
51.02383	0.9
51.26027	0.9
53.03939	68.3
54.04267	1.9
55.01851	1.9
55.05490	3.6
65.03914	2.2
66.19436	1.2
66.49133	1.1
67.04235	2.4
67.05492	26.7
69.07047	2.4
69.68687	8.6
71.94112	1.6
72.93764	3.0
74.99823	2.2
77.99924	2.9
79.05479	5.6
81.03407	100.0
81.07050	12.1
82.03738	2.9
82.06564	15.0
86.00681	6.1
86.50612	12.6
87.00452	57.1
90.94817	1.9
91.05473	2.2
94.04185	1.4
95.01221	1.4
95.51142	2.5
96.00977	14.0
98.01385	1.1
98.51239	7.7
107.08589	2.1
107.73083	1.1
109.02147	2.3
109.02863	33.7
109.06505	12.0
109.07638	4.3
109.08414	1.7
109.10132	16.8
110.06029	21.9
111.96844	2.6
112.96694	4.6
113.96382	27.0
129.97879	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03888	1.2
79.05479	33.6
81.03399	4.4
81.07040	32.4
83.04962	4.4
83.08600	6.2
85.02866	0.8
85.06511	1.0
87.37786	0.5
89.03867	1.0
91.05463	28.0
93.07024	34.0
95.04367	0.7
95.04946	9.0
95.08585	24.7
96.08926	0.6
96.40420	0.4
97.02854	1.0
97.06511	2.7
97.10151	3.1
99.08073	0.8
103.05430	1.3
105.04493	1.1
105.07008	14.4
107.04935	3.8
107.07890	0.9
107.08573	16.0
109.02824	1.0
109.06513	3.0
109.10136	9.5
111.04398	1.9
111.08038	1.5
115.05435	4.8
116.06199	0.5
117.06998	7.2
119.08560	11.9
121.02804	1.8
121.06473	0.7
121.10119	13.8
123.04417	4.8
123.08009	1.7
123.11674	2.7
125.09605	1.7
127.05415	1.0
128.06178	1.7
129.05466	0.4
129.06993	4.9
131.04893	2.0
131.07616	0.7
131.08543	9.6
133.06445	1.8
133.10104	8.1
135.04359	1.4
135.08057	0.8
135.11664	9.1
137.09602	1.1
137.13206	0.9
139.03854	1.0
139.05374	1.7
141.06952	3.3
142.07791	0.5
143.04878	1.8
143.08530	1.8
144.05487	0.4
145.06464	4.0
145.10103	8.4
147.04340	2.9
147.07993	0.6
147.11652	4.8
149.05901	3.0
149.09601	2.7
149.13223	4.1
151.11133	0.6
152.06212	1.0
153.06961	5.7
155.04880	1.6
155.08496	2.6
157.06461	4.5
157.10103	2.0
159.08038	1.0
159.11684	4.2
160.05157	0.8
161.05954	18.1
161.13242	3.4
163.03879	13.7
163.07463	1.5
163.11150	4.4
163.14771	1.9
165.05444	3.6
165.06972	2.7
167.04884	1.3
167.08517	3.2
169.06445	4.5
169.10048	1.0
171.04384	1.5
171.07999	3.1
171.11613	0.8
172.05128	0.4
173.05954	98.7
173.09383	5.1
173.13239	3.2
174.06259	2.2
175.03879	3.8
175.07524	6.1
175.11172	1.1
175.14769	1.2
177.05432	2.2
177.16315	0.9
178.07706	0.6
179.08546	2.4
181.06461	9.3
183.04373	1.6
183.07983	2.5
183.11719	0.8
184.05113	0.7
185.05940	9.3
185.13205	1.0
186.06532	0.5
187.03885	4.0
187.07509	23.6
187.14761	1.2
189.05452	9.4
189.09067	1.7
191.03302	2.1
191.08833	0.8
191.10622	3.9
193.06500	2.1
193.10112	1.0
193.12222	0.5
194.07309	0.6
195.08017	5.3
196.05070	0.5
197.05937	10.8
197.09671	1.3
197.13387	0.5
198.06679	2.0
199.03909	2.7
199.07509	30.3
199.14717	0.6
200.04625	1.3
200.07990	1.3
201.05426	37.6
201.09087	4.1
202.05931	1.0
203.03339	0.7
203.06987	3.8
203.08670	0.8
207.08057	2.2
209.05995	1.8
209.09677	0.9
210.06671	2.0
211.07507	16.3
212.04710	0.6
212.08173	1.8
213.05440	27.8
213.08995	12.8
214.06044	1.4
214.09686	0.6
215.03397	1.3
215.06984	11.0
215.10457	0.8
216.07388	0.6
217.04921	98.2
218.05289	2.8
219.08069	1.0
219.11731	0.8
221.05971	1.6
221.09572	1.6
221.13286	1.1
223.07527	4.7
224.08278	0.9
225.05444	8.2
225.09006	6.5
226.06186	2.8
226.09724	0.9
227.03334	2.0
227.06975	14.5
227.10612	2.0
227.12663	0.6
228.07753	0.7
229.04933	18.4
229.08347	3.6
231.06447	2.0
232.08725	0.5
233.09630	0.6
233.22615	0.8
235.07599	2.1
235.11118	0.9
235.14832	0.6
236.08260	0.6
237.09058	2.1
238.09912	0.8
239.06996	5.8
239.10504	2.5
241.04950	3.2
241.08572	3.6
241.12091	2.2
241.19466	1.4
243.06442	4.5
243.10120	0.7
243.21077	4.3
245.13467	0.5
247.07582	0.7
247.11134	1.2
248.08205	0.5
249.09067	2.1
249.12712	3.3
250.09799	0.8
251.06966	1.1
251.10670	2.0
252.07776	0.6
253.08519	2.7
253.12207	1.1
255.06332	1.2
255.13815	1.8
257.08038	1.8
257.15311	1.6
259.20532	3.5
261.22092	15.3
263.10736	0.8
263.14282	1.3
265.08676	0.8
265.12192	4.3
265.14377	0.5
267.10504	0.6
267.13754	7.9
269.11472	0.5
269.15271	0.6
273.07263	0.8
273.12695	1.4
275.10571	1.5
277.08694	0.7
277.12170	1.2
279.13855	0.7
281.15372	4.7
283.13321	4.9
285.14795	5.0
287.12753	1.0
287.23691	1.4
291.13724	4.5
293.11612	2.3
293.15137	0.9
295.13226	2.3
297.14798	0.9
299.16336	3.4
301.11969	0.6
303.15881	0.9
307.13361	0.8
309.14771	7.0
311.12741	27.0
311.16232	1.9
313.14282	16.0
315.23090	0.7
317.17313	0.9
317.24741	2.2
319.13232	2.1
323.16348	1.2
327.15829	11.8
329.13776	71.7
330.13940	2.4
331.15518	0.9
333.24213	2.3
335.25754	26.5
337.14276	16.3
339.15875	1.8
341.17612	0.6
343.26288	0.4
345.16837	0.7
347.14819	3.8
353.13736	1.1
355.15341	31.0
357.16943	1.9
359.18457	1.4
367.15332	0.8
371.14862	1.6
373.16364	13.7
385.16382	100.0
386.16852	3.2
387.17825	2.4
391.17368	0.8
401.19656	1.4
403.17462	14.2
403.22455	0.9
404.18851	0.4
411.17938	12.3
413.19604	1.0
427.17313	1.5
429.19025	72.4
430.19266	2.2
431.20593	3.0
447.20084	5.8
485.18152	2.3
503.19449	0.5
511.19385	1.2
513.21375	0.6
521.75769	0.5
529.20502	2.4
541.20221	0.6
543.35358	0.5
547.21667	1.3
553.32587	0.9
559.21826	0.7
569.36230	1.3
571.34064	2.5
573.22565	0.6
577.22766	0.6
585.23285	0.5
589.35114	1.8
597.35815	2.5
603.24316	2.4
615.36664	1.8
621.25183	8.5
633.38098	1.1
635.38422	1.2
643.39655	0.6
645.37762	13.7
646.38361	0.9
647.39221	0.8
654.80310	0.5
661.40784	3.8
663.38794	46.1
664.38995	2.9
665.40662	0.7
671.39331	6.2
679.42133	0.8
689.40387	39.4
690.40759	2.0
707.41394	71.1
708.41486	4.0
819.43677	1.0
833.45325	0.5
837.43555	1.7
851.45575	1.1
863.46033	3.2
869.47125	0.7
881.46649	17.3
882.46503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	0.7
79.05478	38.0
81.03413	3.2
81.07040	36.4
83.04959	4.7
83.08601	5.4
85.06504	2.0
86.09716	0.6
89.03882	1.1
91.04918	1.1
91.05464	28.1
93.07027	37.6
95.04382	0.8
95.04952	11.2
95.08590	26.6
95.81371	0.7
97.02836	1.2
97.06502	3.1
97.10147	3.0
99.08064	1.0
103.05428	2.0
105.03377	0.8
105.04471	1.7
105.07015	18.6
107.04936	4.8
107.08574	15.3
109.06505	2.8
109.10142	10.6
111.04371	1.4
111.08057	1.5
115.05411	4.5
117.03342	0.8
117.06277	0.6
117.07005	7.5
119.07711	0.7
119.08562	11.4
121.02848	1.2
121.06552	0.6
121.10120	13.7
123.04409	5.7
123.08041	2.1
123.11661	2.4
125.09592	1.7
127.05450	0.8
128.06183	1.5
129.06984	7.0
130.07721	0.9
131.04907	1.2
131.08548	11.2
133.06430	1.5
133.07394	0.6
133.10092	9.1
135.04411	1.1
135.11662	9.4
137.09515	0.8
137.13206	1.5
139.03925	0.6
139.05373	1.8
141.06941	4.6
142.07721	0.6
143.04875	2.5
143.08537	2.9
145.02869	0.8
145.06485	4.1
145.10094	9.8
147.04378	2.5
147.08009	0.8
147.11673	5.1
149.05878	3.1
149.09583	2.5
149.13248	3.7
152.06201	1.1
153.06943	5.3
155.04839	1.7
155.08522	2.4
157.06450	4.9
157.10124	1.2
159.08000	1.5
159.11659	3.7
160.05167	1.4
161.05951	19.4
161.09554	1.0
161.13208	4.0
163.03883	13.6
163.07530	1.1
163.11131	5.3
163.14769	1.6
165.05429	3.4
165.06964	2.7
167.04890	2.1
167.08495	3.1
169.06494	6.6
169.10104	1.0
171.04378	2.2
171.08012	2.5
171.11646	1.4
173.05956	100.0
173.09467	4.9
173.13251	2.9
174.06418	1.9
175.03876	3.5
175.07465	7.8
175.11214	1.3
175.14888	0.9
177.05524	3.0
177.06810	0.6
178.07751	0.8
179.08498	2.2
181.06456	12.7
181.08023	1.2
181.09958	0.7
182.07065	0.6
183.04393	1.4
183.07970	3.5
185.05928	10.2
185.09579	1.0
186.06625	1.2
187.03934	3.0
187.07507	26.2
187.14799	1.1
188.07799	0.7
189.05463	7.8
189.09087	2.2
191.03349	2.4
191.06906	0.8
191.09013	0.6
191.10567	3.6
193.06456	2.4
193.10115	1.7
193.12120	0.7
195.08034	5.4
197.05943	12.7
197.09550	1.4
198.06688	2.2
199.03828	2.3
199.07506	31.2
200.04596	1.5
201.05426	41.0
201.09048	5.1
203.06972	3.1
203.08670	0.7
207.08051	3.2
209.05959	2.1
209.09589	1.7
210.06772	2.3
211.04071	0.6
211.07500	17.1
212.08209	1.6
213.05449	25.5
213.09019	14.2
214.06079	1.4
214.09489	0.6
215.03664	0.8
215.06990	13.7
215.10378	0.7
217.04921	89.8
218.05336	2.7
219.08167	1.1
221.05891	1.4
221.09621	2.4
221.13144	1.0
223.07538	5.2
223.11177	0.6
224.08199	1.1
225.05440	8.2
225.08961	6.9
226.06195	2.6
226.09642	0.8
227.03505	1.0
227.06964	14.9
227.10666	2.4
228.07588	0.7
229.04932	19.9
229.08582	2.4
231.06459	2.1
235.07491	1.7
235.11145	1.2
237.08957	2.7
237.12630	1.0
239.07007	5.4
239.10686	1.5
241.04942	3.8
241.08545	2.4
241.12216	1.6
243.06433	5.5
243.21094	3.3
245.07986	1.3
247.11118	0.9
249.08984	2.9
249.12759	3.1
250.09875	0.8
251.07083	1.2
251.10593	2.1
253.08618	2.0
253.12146	1.2
255.06445	1.4
255.13799	1.6
257.07977	1.8
257.15353	1.8
259.20520	3.9
261.22098	16.3
263.06961	0.9
263.10916	1.0
263.14188	1.2
265.12082	5.4
265.14450	0.6
267.06424	0.9
267.10605	1.1
267.13708	7.9
267.16254	0.9
269.11777	0.7
273.07538	0.7
273.12747	1.6
275.10638	1.6
277.12228	1.3
281.12369	0.8
281.15262	4.6
283.13232	5.4
285.14761	3.1
287.12820	0.8
287.23672	1.3
291.13770	3.8
293.11667	2.1
295.13239	2.4
295.16455	0.7
299.16370	1.9
301.11938	0.9
303.23129	0.9
309.14786	7.9
311.12732	24.9
311.16278	1.5
312.13068	0.9
313.14313	15.2
313.17877	1.3
317.24713	3.4
319.13110	1.6
327.15857	10.1
329.13776	61.2
330.14209	2.0
333.24249	1.8
335.25745	36.0
336.26233	0.8
337.14258	13.1
339.15921	1.4
347.14874	3.3
353.13855	1.3
355.15350	28.6
356.15601	1.0
357.16885	1.8
361.23343	0.8
371.14651	1.3
373.16434	13.4
385.16391	88.0
386.16794	3.7
387.18011	2.0
391.17377	0.9
401.19601	1.8
403.17453	18.6
411.17892	9.1
417.26212	0.8
427.17303	1.6
429.19019	64.4
430.19437	2.4
431.20847	1.2
447.20026	6.9
485.18234	1.4
529.20776	1.2
553.33386	0.8
559.21759	0.9
571.34198	2.5
589.35309	1.1
597.35724	1.9
603.24060	1.6
615.36511	1.5
619.40515	0.7
621.25208	3.6
633.37701	0.9
645.37836	10.6
647.39301	0.7
661.40649	3.1
663.38806	55.6
664.39105	3.9
671.39172	5.2
689.40350	40.2
690.40302	2.8
707.41388	89.4
708.41681	5.9
759.99609	0.6
837.43799	1.9
851.45313	0.9
863.45020	2.9
881.30664	0.9
881.46747	15.8
882.47180	1.1
899.47778	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03924	1.5
53.24260	0.5
65.03606	0.9
65.03925	10.9
67.05492	2.8
69.81102	4.6
73.60542	0.5
74.83134	0.6
79.05481	12.7
79.76249	0.5
80.05006	1.7
91.05461	100.0
92.05785	2.3
92.06262	1.6
93.05774	4.4
95.04940	2.7
98.21412	1.0
105.07012	33.3
106.04140	0.8
106.07362	1.3
107.04935	4.9
107.08574	55.3
108.04442	2.3
108.08114	9.7
108.08888	1.9
109.06497	22.7
119.06032	6.8
124.05222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03919	4.2
55.01855	1.2
55.08289	1.1
65.03923	10.4
65.46856	1.2
67.05473	4.3
71.12366	3.8
76.17176	1.1
79.05479	41.8
80.04978	6.1
91.05463	100.0
92.05783	3.1
92.06284	2.3
93.05793	7.3
95.04958	9.4
105.07018	30.7
107.04929	31.5
107.08572	51.2
108.04457	8.4
108.08100	25.3
108.08808	2.6
109.06495	21.3
112.46304	1.2
119.06033	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	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03926	3.5
62.11037	1.1
65.03935	10.8
67.05487	3.6
69.61644	6.6
69.62064	1.9
78.19109	0.9
79.05479	29.2
80.05009	3.2
80.05796	1.1
81.34753	0.7
82.90868	0.8
91.05465	100.0
92.05781	2.4
92.06251	2.7
93.05769	5.7
95.04951	8.2
96.04442	0.9
98.27454	0.9
103.05384	0.8
105.07014	32.9
106.07350	1.0
107.04944	20.8
107.08575	50.5
108.04517	4.4
108.05178	1.5
108.08122	17.2
108.08891	2.7
109.06494	21.1
119.06049	5.8
124.05199	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03939	1.1
55.01865	0.6
64.29540	0.4
65.03928	9.9
67.05489	2.5
68.17400	0.4
68.63103	0.5
71.18092	0.9
71.18455	0.9
79.05485	12.8
80.05005	1.6
84.42464	0.4
87.28935	0.5
88.49821	0.5
91.05464	100.0
92.05795	2.1
92.06252	2.0
93.05769	2.6
95.04946	2.2
105.07014	33.4
106.07350	0.6
107.04950	8.4
107.08575	53.7
108.04455	2.5
108.08096	7.8
108.08908	1.7
109.06503	23.8
119.06053	7.3
124.05253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0493
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
53.03937	5.8
55.01862	0.8
59.38386	0.4
60.29727	0.4
61.04840	0.4
65.03949	0.7
70.10626	1.6
77.03906	0.9
79.05479	100.0
80.05035	2.3
80.05799	3.0
81.03415	0.5
91.05462	7.5
93.05771	1.7
95.04956	10.8
105.04511	2.2
105.07018	1.7
106.06540	0.5
107.04937	26.5
107.08549	2.7
108.04459	2.7
108.05257	1.1
108.08103	7.3
108.08807	0.7
109.06510	1.2
113.13448	0.3
119.06052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03934	1.3
55.01869	0.9
65.03928	10.8
67.05500	2.7
71.39879	0.8
71.64518	0.4
72.62063	0.4
72.90445	0.4
76.25755	0.5
79.05484	14.4
79.57122	0.5
80.05013	1.5
80.05795	0.5
83.27720	0.5
89.03786	0.5
89.14591	0.5
91.05467	100.0
92.05762	2.3
92.06287	2.7
93.05782	2.3
95.04965	2.9
99.76936	0.5
103.05467	0.6
105.07015	36.7
106.04156	0.8
106.07347	1.1
107.04931	6.9
107.08575	55.8
108.04472	2.2
108.08115	9.3
108.08909	1.5
109.06499	23.7
110.06859	0.5
119.06052	6.9
124.05214	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.4
53.03712	0.4
53.03938	6.9
63.40326	0.4
67.39192	0.4
70.01601	2.7
77.03903	1.7
78.43304	0.4
79.05479	39.5
80.05810	1.1
95.04954	14.7
103.05450	26.6
104.05775	1.6
105.04536	3.1
105.07011	100.0
106.07350	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	1054.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
134.55598	0.3
166.13318	0.3
173.23885	0.3
174.76645	0.3
222.51836	0.4
265.12311	0.6
389.17590	0.4
403.19199	1.4
404.20093	0.8
405.20663	1.1
416.20126	0.4
417.16220	0.7
417.21509	2.0
418.21460	1.0
419.22397	2.1
420.22836	0.4
430.17569	0.3
431.18170	5.1
432.18402	1.5
433.24243	4.1
434.24655	1.0
444.18973	0.6
445.19891	6.2
446.20703	4.2
447.21539	3.9
448.22006	0.3
449.23376	0.5
458.21100	0.4
459.21411	3.0
460.22409	7.0
461.23157	5.5
462.24527	0.4
462.30231	0.6
473.23502	1.5
474.24173	0.7
476.25961	0.8
477.23035	1.0
487.24826	0.9
491.24799	0.5
492.25052	0.6
505.21738	3.3
519.23724	1.1
533.25397	27.0
534.25702	2.0
547.26776	0.7
561.25104	0.7
564.23895	1.3
565.27814	0.8
575.26337	0.4
593.27478	100.0
594.27924	9.4
933.94360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	1.0
51.02375	5.5
53.03939	42.6
55.01862	3.1
56.91024	0.6
59.06906	0.7
60.04513	3.1
65.03928	0.8
70.51604	0.6
71.41605	1.2
77.03912	6.2
78.65243	0.6
79.05479	18.2
80.02557	0.6
81.03406	5.0
88.04822	0.8
90.03646	0.6
95.04951	100.0
96.04468	0.7
96.05284	2.4
103.04816	1.1
103.05453	14.9
105.03379	70.6
105.04462	19.4
105.07010	50.7
106.03704	2.1
106.06544	3.3
106.07339	1.3
118.06522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02354	0.9
53.03936	6.4
60.95428	0.5
69.59633	4.1
76.73082	0.4
77.03905	1.8
79.05481	36.2
80.05809	0.9
95.04949	13.4
96.05244	0.4
100.73692	0.5
103.05452	27.3
104.05775	1.0
105.04568	2.5
105.07009	100.0
106.07352	4.9
112.57716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	4.3
52.63339	0.9
53.03940	42.6
53.94138	0.8
55.01852	2.7
55.81622	0.9
60.04521	8.1
60.95850	1.9
61.01143	6.6
65.03922	1.4
69.03406	1.0
70.03740	1.0
70.53238	1.8
70.53641	2.1
74.07789	1.0
77.03907	6.0
79.05482	31.8
80.05814	1.3
81.03403	4.2
87.02689	1.5
88.03950	1.1
88.04789	2.4
95.04952	100.0
96.04474	2.1
98.20792	1.3
99.99493	1.1
103.04813	1.9
103.05450	23.4
104.05807	1.3
105.03372	65.6
105.04453	20.7
105.07011	91.7
105.11063	3.2
106.03722	1.7
106.06544	7.3
106.07249	2.4
112.92821	1.1
118.06523	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	1.3
51.02371	5.6
53.03937	46.0
55.01856	2.1
60.04516	4.7
60.92339	0.9
65.03915	1.5
71.80919	1.1
77.03909	6.2
79.05476	30.4
80.35142	0.8
81.03396	3.1
88.03967	0.9
88.04758	1.7
95.04949	100.0
96.04485	1.0
96.05275	2.3
103.05447	27.1
103.92696	0.9
105.02649	2.0
105.03378	65.6
105.04467	19.9
105.07008	95.8
106.03698	2.1
106.06530	5.3
106.07336	3.8
118.06506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	2.7
59.07373	1.0
60.08153	30.2
61.08480	0.3
68.05026	0.2
69.03414	1.0
71.05634	0.6
76.50698	0.2
83.58284	0.2
86.06055	0.6
87.04459	2.0
102.20486	0.2
104.10724	100.0
105.11055	1.8
109.73295	0.2
109.87102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Choline
Peak:m/z	Relative Intensity
56.04498	0.2
58.06593	2.6
59.07378	1.0
60.08156	32.7
61.08485	0.3
61.13007	0.2
65.16753	0.2
69.03422	0.7
69.99892	0.3
70.00299	0.7
71.48009	0.2
75.89336	0.2
81.83688	0.2
86.06058	0.5
87.04453	2.3
97.95395	0.2
103.53946	0.2
104.10728	100.0
105.11053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02885	0.6
77.03922	0.8
79.05474	14.5
81.03400	8.1
81.07037	14.9
82.07353	0.4
83.04961	4.1
83.08605	2.2
85.02897	2.4
85.06502	0.7
86.09652	0.7
91.04910	0.7
91.05460	12.3
93.03378	0.5
93.07022	15.7
95.04952	6.3
95.07989	0.7
95.08583	11.8
97.02411	0.4
97.02888	4.1
97.06490	1.2
97.10148	1.4
99.04408	1.2
103.05402	0.9
105.07010	7.3
107.04919	1.5
107.08565	8.4
109.02848	2.5
109.06470	1.0
109.10129	3.8
111.04431	3.1
111.08044	0.8
112.07581	1.0
112.36498	0.4
113.05954	1.4
115.05427	3.1
116.06218	0.4
117.06998	3.4
119.08549	4.9
121.02798	0.4
121.10117	5.4
123.04399	1.7
123.08028	0.9
123.11659	1.5
125.09637	0.8
126.58275	0.4
127.03886	2.9
128.06177	0.8
129.05446	1.4
129.06978	2.4
131.04854	0.8
131.08549	4.0
133.06441	1.0
133.10110	4.1
135.11652	4.2
137.09555	0.8
137.13216	0.5
139.03857	1.5
141.06929	1.7
142.07721	0.5
143.04863	1.1
143.08540	1.0
145.06473	2.1
145.10100	3.5
147.04370	1.2
147.11655	3.2
149.05882	0.9
149.09607	0.7
149.13217	2.0
152.06155	0.7
153.01793	0.5
153.06960	2.7
155.04823	1.2
155.08492	1.2
157.04935	0.4
157.06406	1.4
157.10138	1.0
159.11661	2.7
160.05119	0.7
161.05942	11.3
161.13216	1.5
163.03824	1.8
163.11137	1.1
163.14828	0.9
165.05444	1.1
165.06989	1.1
167.04819	0.6
167.08487	1.1
169.06468	1.6
171.06517	0.8
171.07962	1.0
171.11615	1.1
173.05943	67.6
173.13234	1.9
174.06299	2.2
175.03922	0.9
175.07463	2.6
175.14780	0.7
177.05429	0.8
179.08502	0.5
181.06436	4.8
181.10088	0.9
183.08026	1.4
184.07216	0.7
185.05917	3.9
185.09618	0.6
185.13121	0.6
187.03914	1.8
187.05946	1.9
187.07512	8.9
187.14758	0.9
189.05417	4.6
189.09116	0.5
191.08574	0.4
191.10585	1.1
193.06483	0.7
193.10060	0.7
195.08034	2.1
195.11655	0.5
197.05928	3.7
197.09497	0.6
198.06699	0.8
199.03824	1.1
199.05655	0.9
199.07494	15.8
200.07907	0.4
201.05414	30.2
201.09109	1.6
202.05759	0.9
203.06969	0.9
207.08028	1.1
209.09593	1.0
210.06705	1.3
211.07515	7.3
212.08093	0.7
213.05446	7.0
213.08998	7.3
214.06090	0.5
214.09573	0.6
215.03546	0.7
215.06985	4.1
215.10741	0.5
217.04915	100.0
218.05266	3.0
218.76184	0.4
221.05991	0.6
223.07500	3.5
224.08211	0.8
225.05476	3.0
225.09045	2.7
226.06007	0.4
227.06960	5.8
227.10628	1.0
229.04909	5.1
230.05472	0.6
231.06346	0.7
233.22629	0.7
235.07451	0.7
236.08260	0.7
237.05322	0.4
237.09036	1.0
237.12700	0.6
238.09651	0.8
239.06981	1.8
239.10602	0.8
241.04898	1.7
241.08542	2.1
241.12158	1.3
241.19461	0.4
243.06447	1.6
243.20999	1.5
247.11230	0.6
249.09096	1.1
249.12741	0.7
250.09662	0.6
251.06946	0.7
251.10690	1.1
253.08553	0.6
255.06396	0.8
255.13786	1.5
257.15372	0.7
259.20596	2.0
261.22089	8.7
265.09576	0.6
265.12097	3.6
267.13782	4.6
273.07434	0.9
273.12625	0.6
275.10657	1.4
277.12109	0.7
279.13864	0.5
281.15247	1.0
283.13129	3.7
285.14816	3.5
287.12674	1.8
289.14267	0.4
291.13702	1.2
293.11627	1.4
295.13318	0.5
301.14499	0.6
303.15891	0.9
309.14648	2.2
311.12726	20.4
311.16034	0.8
312.12988	0.7
313.14258	15.5
314.14560	0.8
317.17291	0.5
317.24847	1.4
319.13193	0.6
327.15799	3.6
329.13766	53.5
330.14026	2.2
333.24057	1.2
335.25717	21.4
336.26154	1.1
337.14148	4.1
339.15942	0.9
347.14752	3.5
355.15295	9.3
356.15775	0.4
357.16837	0.9
363.25342	0.7
367.15405	0.6
369.24249	0.7
371.14764	0.4
372.21280	0.4
373.16367	5.2
385.16376	64.4
386.16727	3.4
387.17841	4.8
387.25366	0.6
401.19775	0.4
403.17447	9.6
411.18030	3.6
427.17462	0.7
429.19003	8.1
439.17587	0.6
447.20047	2.5
457.18774	0.5
463.16891	0.4
485.18054	2.4
499.19379	1.1
511.19522	1.1
513.21045	0.6
517.20813	0.8
529.20697	2.9
547.21820	0.7
553.32526	0.5
555.22113	0.5
559.21387	1.3
571.33850	1.7
573.23169	6.4
574.23480	0.4
579.34210	0.5
585.22931	0.9
589.34680	1.3
597.35956	0.6
603.24249	6.7
604.24927	0.4
605.25513	0.5
621.25238	0.5
645.37842	7.7
646.37659	0.6
647.39069	3.9
648.39233	0.5
661.40479	1.4
663.38745	31.1
664.39099	3.1
665.40363	0.7
671.38922	1.5
689.40289	9.3
690.40765	1.0
707.41425	5.4
771.40369	0.9
789.40997	1.1
805.45721	0.6
807.43011	2.9
815.43628	0.8
819.42798	0.9
827.45154	0.5
833.44434	2.8
837.44550	2.1
851.45544	7.6
852.45050	0.9
863.45380	4.2
864.46106	0.7
881.46582	7.2
882.45477	0.7
1025.50122	1.2
1043.51465	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	103.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51659	1.1
53.03942	0.8
54.03476	0.4
55.01866	1.9
55.05505	0.9
56.00163	0.3
56.05028	2.1
56.96560	0.4
57.03429	4.1
58.01454	0.8
58.02959	0.4
58.06591	3.2
58.96152	0.4
58.99832	2.0
59.04993	0.4
59.06121	2.3
59.52179	1.7
60.04517	1.8
60.08154	1.1
60.52062	0.4
60.95837	1.9
61.02914	0.6
61.04041	0.6
61.51982	0.3
62.02452	1.4
62.03193	0.5
62.06071	0.9
64.02187	0.6
65.52162	0.4
67.01859	0.9
68.05011	0.5
68.52716	0.9
69.03429	2.1
69.50713	0.7
70.32971	1.6
70.66089	0.4
70.99824	0.3
71.02977	24.7
71.53024	3.4
72.02840	2.4
72.04510	0.9
72.52966	0.8
75.04475	0.8
76.02493	1.1
77.00882	2.5
78.04713	0.5
78.52956	5.5
79.00631	0.5
79.03059	0.3
80.03495	41.1
80.52699	3.1
80.53237	3.5
80.53672	5.0
81.01473	0.8
81.03365	7.4
81.03801	0.6
82.01427	11.6
82.05322	1.2
82.53751	3.3
82.99844	0.4
83.01525	1.1
83.02968	0.5
83.03759	0.4
83.04968	0.6
83.05573	0.4
83.53642	0.5
84.01201	1.2
84.04507	1.9
85.02898	7.5
85.04848	0.5
85.08460	0.4
86.02412	0.4
86.03239	1.8
86.06049	4.8
86.09676	0.8
86.99334	0.5
87.04462	4.8
87.53484	2.3
89.03501	0.7
89.04014	4.3
89.53217	4.9
89.54103	1.2
90.02444	0.7
90.03779	1.6
91.53731	0.9
91.54274	6.9
92.03490	7.0
92.04025	0.6
92.04391	0.6
92.52715	0.6
92.53576	1.1
92.54110	0.6
93.03371	0.6
93.04269	1.2
94.03521	0.5
95.01938	0.7
95.04950	1.6
100.02468	100.0
100.52431	0.6
100.53393	0.4
100.54192	0.6
100.54786	0.6
101.00871	3.1
101.02540	11.7
101.03973	3.1
101.53176	0.8
101.53778	0.6
102.01078	0.3
102.02228	9.5
102.02909	0.9
103.00639	0.6
103.02501	1.2
103.03227	0.7
103.03930	14.4
103.05431	5.2
103.08710	0.8
103.09490	0.5
103.54296	0.7
104.04279	0.8
104.07090	0.6
104.10733	3.2
105.00350	2.2
109.02869	0.7
115.01177	1.0
115.02430	1.1
117.03990	0.6
118.03504	70.8
119.01905	30.5
119.03622	9.1
120.01989	3.0
120.03249	8.4
121.01655	6.5
121.03507	0.9
123.01374	0.8
123.04028	6.3
124.02422	0.7
124.04173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03940	13.9
55.01857	0.6
56.65373	0.6
56.96548	1.3
57.03424	1.6
58.06590	1.3
60.08158	3.7
69.03403	1.5
69.87807	1.3
69.88220	3.0
76.51620	0.7
77.03915	3.1
81.03403	1.5
85.02891	4.8
86.03207	1.0
86.06051	2.0
87.04453	4.7
95.04957	32.0
102.04659	3.6
103.03978	10.2
103.05453	100.0
104.05801	2.8
104.10733	9.4
105.04507	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	1028.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01333	0.7
71.04983	2.2
77.03909	0.7
79.05479	13.9
81.03403	28.1
81.07038	13.6
83.04961	7.7
83.08154	0.7
83.08603	9.7
85.02886	5.8
85.06528	1.1
86.09688	0.9
89.03862	0.6
91.05463	18.2
93.07021	9.1
95.04948	14.2
95.08591	6.0
95.67580	0.4
97.02865	2.1
97.06518	2.3
97.10144	2.4
99.08031	0.7
103.05490	1.0
105.07008	12.6
107.04947	6.0
107.08572	3.7
109.02791	0.5
109.06482	3.5
109.10109	2.3
111.04404	1.9
111.08065	4.6
113.05984	0.6
115.05426	2.7
117.06994	2.4
119.04877	0.9
119.08556	9.4
121.02818	0.8
121.06479	1.0
121.10128	4.4
123.04395	1.5
123.08002	2.0
123.11649	0.9
125.09598	1.4
127.03864	0.8
128.06252	0.8
129.06972	7.1
131.04889	1.3
131.08545	6.0
133.06477	2.5
133.10094	6.8
135.04385	1.0
135.08012	1.0
135.11684	1.1
137.05984	0.5
137.09621	0.7
139.05351	0.7
141.06989	2.3
142.07741	1.7
143.04865	0.9
143.08492	1.0
145.02832	0.7
145.06435	1.5
145.10101	2.6
147.04381	1.8
147.08020	2.2
147.11658	5.7
149.05939	1.3
149.09605	4.1
152.06271	0.5
153.06967	2.6
155.04878	1.2
155.08479	1.9
157.06461	1.5
157.10103	6.8
159.04404	0.4
160.05191	0.7
161.05952	10.3
163.03876	7.1
163.11134	2.8
165.05449	1.6
165.06975	0.9
165.12711	1.5
167.04874	0.9
167.08517	1.3
169.06461	1.9
171.04422	0.6
171.08069	1.2
173.05951	66.2
173.09573	2.9
174.06302	1.2
175.03886	1.3
175.07500	3.0
175.11147	5.7
177.05452	2.4
179.08502	1.4
181.06442	4.3
183.08011	1.5
184.05107	0.4
184.07329	1.2
185.05952	4.9
187.03943	1.6
187.07504	11.8
189.05412	4.6
189.09093	1.4
191.03360	1.1
191.07010	0.5
191.10635	2.5
191.14311	0.7
193.06438	0.6
193.12219	16.2
195.08034	2.3
195.11598	0.5
197.05949	6.0
197.09624	0.6
198.06711	0.9
199.03815	1.3
199.07509	17.5
200.04723	0.4
201.05424	24.4
201.09013	2.0
203.07007	1.1
205.04901	0.5
207.08000	1.1
209.05968	0.9
209.09686	0.8
209.11543	0.5
210.06754	1.3
211.04048	0.4
211.07523	7.9
211.13251	28.6
212.08070	0.8
213.05446	9.5
213.09030	8.2
215.03574	0.9
215.06999	5.1
217.04922	88.7
218.05217	2.2
219.11783	0.8
219.13693	3.9
221.09410	0.6
221.13197	0.6
223.07443	3.0
224.08160	0.6
225.05513	4.7
225.08998	3.0
226.06241	1.1
227.07013	8.1
227.10641	1.1
228.07652	0.6
229.04938	12.9
229.08563	1.5
230.05148	0.5
231.06390	1.2
235.07538	0.8
235.11163	0.7
237.09056	0.7
237.12733	0.6
238.09601	0.4
239.06956	3.1
239.10674	1.4
241.04918	1.8
241.08646	2.3
241.12253	1.2
243.06506	2.6
247.11069	0.5
249.09123	0.9
249.12595	2.0
250.09712	0.5
251.06946	0.9
251.10623	1.0
253.08586	1.0
253.12215	0.7
255.06425	0.6
255.13817	1.5
257.15320	1.0
263.06964	0.5
265.12088	4.0
265.14182	0.4
267.10825	0.8
267.13364	3.8
267.16229	4.2
271.16794	0.4
273.07556	1.2
275.10648	1.4
277.12094	0.5
281.15231	2.2
283.13190	4.7
285.14731	1.3
285.17175	6.5
291.13794	1.5
293.11716	1.7
295.13098	1.0
299.16397	1.6
309.14764	3.1
311.12735	23.2
312.13019	1.5
313.14276	9.5
323.16434	0.6
327.15820	4.7
329.13782	68.4
330.14133	1.7
337.14276	5.6
347.14825	3.8
355.15344	13.5
356.15631	0.9
373.16397	5.1
385.16385	100.0
386.16739	3.5
387.17944	0.8
393.17062	0.6
401.19681	0.6
403.17477	8.7
411.17868	4.0
429.19025	34.5
430.19324	1.3
447.20221	3.0
485.17743	0.7
501.25909	0.6
503.24289	0.7
521.25134	0.9
523.74347	0.5
529.26306	0.7
547.27319	0.9
565.28058	0.6
577.27875	4.9
593.31348	0.7
595.28925	27.6
596.29321	1.8
603.29205	2.4
611.31903	0.7
613.29962	20.6
614.30524	0.5
621.30750	12.7
622.31683	0.5
639.31567	17.6
640.32196	1.0
657.32538	18.4
657.43579	1.0
658.33411	0.6
769.33716	2.2
787.35339	0.9
795.35400	0.9
801.36761	0.7
813.36841	3.4
831.38147	5.5
839.50531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01328	0.6
74.09704	0.5
74.89849	0.5
77.03899	0.4
79.05009	0.6
79.05477	14.0
81.03404	27.3
81.07038	13.8
81.22229	0.4
83.04965	7.3
83.08603	9.1
85.02893	6.2
85.06506	1.0
86.09669	0.6
91.05462	19.7
93.06488	0.6
93.07032	9.8
95.04383	0.6
95.04951	12.6
95.08592	6.0
97.02864	1.9
97.06521	2.4
97.10135	2.2
99.04421	0.4
99.08065	0.4
103.05456	1.2
105.03403	0.7
105.07013	11.6
107.04939	5.8
107.08571	5.4
109.02848	1.1
109.06499	3.0
109.10141	2.3
111.04423	2.3
111.08052	3.1
113.05959	0.6
115.05434	3.2
117.07007	2.5
119.04878	1.1
119.08559	9.9
121.02805	0.6
121.06469	1.1
121.10122	4.1
123.04389	2.4
123.08033	1.9
124.99966	0.5
125.09588	1.2
127.03799	0.6
128.06171	1.1
129.06987	7.5
131.04861	0.8
131.08537	6.2
133.06433	2.1
133.10101	6.7
135.04399	1.2
135.08051	0.7
135.11650	1.7
135.65694	0.4
137.02258	0.4
137.05939	0.4
137.09627	0.7
139.05379	0.9
141.06953	1.6
142.07730	1.6
143.04863	0.6
143.08563	1.0
145.06435	1.7
145.10088	3.2
147.04379	1.8
147.08014	1.3
147.11650	5.9
149.05946	1.3
149.09601	5.1
150.48509	0.5
151.03836	0.4
151.11154	0.5
152.06200	0.5
153.06932	2.1
155.04823	0.8
155.08476	2.0
157.06462	1.4
157.10100	6.4
159.08009	0.6
160.09656	0.5
161.05945	9.2
163.03882	8.5
163.07526	0.4
163.11150	3.5
165.05453	2.4
165.06860	0.7
165.12746	1.0
167.04866	0.8
167.08485	1.1
169.06442	1.3
171.04497	0.6
171.07999	1.2
173.05954	61.8
173.09599	2.0
174.06322	2.0
175.03912	2.5
175.07516	3.9
175.11176	6.7
177.05409	2.1
177.43904	0.4
179.08534	0.9
181.06448	4.9
181.10081	0.5
183.04445	0.5
183.07991	1.2
184.07260	1.4
185.05933	5.0
185.09454	0.5
186.06499	0.5
187.03915	2.0
187.07521	13.5
189.05457	4.3
189.09099	1.0
191.03366	0.8
191.10609	2.6
191.14311	0.8
193.06432	0.9
193.10432	0.6
193.12204	17.1
195.08023	2.6
197.05945	6.8
198.06697	1.0
199.03688	1.1
199.07510	17.7
200.07805	0.6
201.05426	22.6
201.09088	2.5
202.05780	0.9
203.07007	2.0
205.04950	0.7
207.08047	0.8
207.11746	0.5
209.06009	0.7
209.09621	0.7
210.06781	1.0
211.07527	8.3
211.13257	29.4
212.08221	1.0
212.13675	0.8
213.05428	9.5
213.09032	8.4
214.06198	0.6
215.03336	0.9
215.06998	7.1
215.10692	0.4
217.04921	78.8
218.05283	2.0
219.08011	0.6
219.11798	0.6
219.13763	3.6
221.09453	0.5
221.13168	0.4
223.07565	2.4
225.05450	5.5
225.08929	3.0
226.06198	1.2
227.06990	8.7
227.10547	1.3
229.04906	11.9
229.08614	1.3
231.06487	1.3
235.07507	1.1
237.09019	1.3
238.06267	0.5
239.07002	3.0
239.10713	1.5
241.04868	1.7
241.08636	2.2
241.12137	1.3
243.06459	3.2
245.13254	0.6
247.11163	0.6
249.09074	1.1
249.12697	1.6
249.15021	0.6
251.07072	0.6
251.10587	1.0
253.08369	0.9
255.06288	0.6
255.13724	1.4
257.08014	0.5
257.15329	1.5
260.79578	0.4
263.14502	0.8
265.12180	3.8
265.14407	0.5
267.10394	0.8
267.13654	4.2
267.16193	5.2
267.78268	0.5
273.07538	1.0
273.12512	0.6
275.10559	0.8
277.12094	0.7
281.15359	2.4
283.13235	4.2
285.14661	1.8
285.17239	6.9
291.13696	2.1
293.11578	2.2
295.13129	1.4
299.16348	1.8
309.14804	2.8
311.12726	20.3
311.16125	0.9
312.13129	0.7
313.14279	8.3
317.17542	0.6
319.12857	0.6
323.16309	0.6
327.15787	5.2
329.13782	58.3
330.14114	2.1
337.14203	5.8
341.17456	0.5
347.14841	3.4
355.15359	15.9
356.15485	0.6
371.14868	0.5
373.16382	7.1
385.16388	100.0
386.16776	4.2
387.17923	0.9
401.19528	1.0
403.17456	7.9
411.17960	2.2
429.19025	40.1
430.19333	1.9
447.20135	4.7
475.24838	0.7
485.17133	0.5
503.24124	0.7
521.25232	0.5
530.25610	0.4
547.26520	1.2
565.27698	0.5
577.27948	4.6
593.30676	1.2
595.28925	27.5
596.29022	1.6
603.30304	2.7
613.29993	19.0
614.30481	1.1
621.30878	13.1
639.31543	24.2
640.31769	1.4
657.32562	21.6
658.32690	1.3
722.10828	0.5
751.32202	0.5
769.33734	1.8
783.34979	0.6
787.34857	1.0
795.35199	0.7
801.37018	1.0
813.36731	4.7
831.37854	6.4
832.36481	0.6
END